#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk6 s VAL 33 N 0.00 2.10 -0.26 0.52 1.01 -1.26 -4.84 120.40 117.67 3kk6 s VAL 33 Ca 0.00 0.07 -0.32 0.00 0.00 0.00 0.00 61.98 61.73 3kk6 s VAL 33 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 3kk6 s VAL 33 CO 0.00 0.01 2.16 -3.20 0.00 0.00 0.00 175.10 174.06 3kk6 n ASN 34 N 3.30 2.74 0.29 3.32 5.15 -1.26 -4.83 115.26 123.97 3kk6 n ASN 34 Ca 0.13 0.42 0.15 0.00 -0.60 0.00 0.00 54.58 54.68 3kk6 n ASN 34 Cb 0.36 -1.39 0.91 0.00 -0.53 0.00 0.00 39.78 39.14 3kk6 n ASN 34 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kk6 h PRO 35 N 12.89 0.00 -0.03 1.20 0.11 -1.88 -2.18 132.00 142.11 3kk6 h PRO 35 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kk6 h PRO 35 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kk6 h PRO 35 CO 0.99 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 3kk6 n TYR 38 N -1.57 0.00 -3.66 0.00 4.01 -1.19 -3.78 117.16 110.96 3kk6 n TYR 38 Ca 0.06 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 3kk6 n TYR 38 Cb 0.35 -0.09 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 3kk6 n TYR 38 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3kk6 n TYR 39 N -0.42 -2.02 -0.03 -0.72 4.01 -1.21 -4.90 117.16 111.86 3kk6 n TYR 39 Ca 0.12 0.87 -0.09 0.00 -0.16 0.00 0.00 57.90 58.65 3kk6 n TYR 39 Cb 0.37 -4.52 -0.03 0.00 -0.31 0.00 0.00 39.34 34.85 3kk6 n TYR 39 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3kk6 h PRO 40 N -1.91 0.01 -6.36 -0.72 0.11 -1.85 -3.42 132.00 117.86 3kk6 h PRO 40 Ca -0.60 -0.00 -0.59 0.00 0.11 0.00 0.00 66.00 64.92 3kk6 h PRO 40 Cb 1.36 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.49 3kk6 h PRO 40 CO 0.56 0.00 1.07 0.00 -0.21 0.00 0.00 178.00 179.42 3kk6 s GLN 42 N 3.40 2.81 -1.20 0.00 -1.52 -0.80 -4.43 119.66 117.93 3kk6 s GLN 42 Ca 0.88 -0.95 -0.04 0.00 -1.95 0.00 0.00 55.36 53.31 3kk6 s GLN 42 Cb -0.63 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 29.57 3kk6 s GLN 42 CO 0.46 0.46 0.84 0.72 -0.25 0.00 0.00 175.29 177.53 3kk6 n HIS 43 N -0.46 -2.11 -3.13 0.91 8.25 -1.26 -3.05 115.22 114.36 3kk6 n HIS 43 Ca -0.08 0.83 -0.14 0.00 -0.26 0.00 0.00 57.72 58.06 3kk6 n HIS 43 Cb 0.55 -4.43 0.05 0.00 1.12 0.00 0.00 29.99 27.28 3kk6 n HIS 43 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3kk6 n GLN 44 N -4.00 -4.92 -3.51 -0.41 6.02 -1.26 -4.84 117.38 104.45 3kk6 n GLN 44 Ca -0.23 0.54 -0.38 0.00 -0.01 0.00 0.00 57.00 56.93 3kk6 n GLN 44 Cb 0.65 -4.69 -0.06 0.00 1.02 0.00 0.00 30.24 27.17 3kk6 n GLN 44 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3kk6 s GLY 45 N -3.39 2.38 -0.17 1.08 0.00 -1.17 -4.94 107.32 101.10 3kk6 s GLY 45 Ca 0.28 -0.30 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 3kk6 s GLY 45 CO 0.47 0.27 0.71 -0.42 0.00 0.00 0.00 173.10 174.13 3kk6 s ILE 46 N -0.44 4.97 -0.36 0.90 -1.09 -1.23 -4.69 121.20 119.25 3kk6 s ILE 46 Ca 0.22 1.37 -0.15 0.00 -2.23 0.00 0.00 60.65 59.85 3kk6 s ILE 46 Cb -0.15 -4.02 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 3kk6 s ILE 46 CO 0.10 0.10 0.37 0.00 -1.23 0.00 0.00 174.94 174.27 3kk6 s VAL 48 N 2.01 3.95 -0.10 0.00 1.01 -0.93 -5.00 120.40 121.33 3kk6 s VAL 48 Ca 0.11 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3kk6 s VAL 48 Cb -0.17 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3kk6 s VAL 48 CO 0.12 0.26 0.26 -0.60 0.00 0.00 0.00 175.10 175.14 3kk6 s ARG 49 N -1.89 3.86 0.16 2.72 3.52 -1.26 -1.88 118.95 124.19 3kk6 s ARG 49 Ca 0.22 0.09 0.07 0.00 -0.13 0.00 0.00 55.73 55.98 3kk6 s ARG 49 Cb -0.11 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 3kk6 s ARG 49 CO 0.13 0.57 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.98 3kk6 s PHE 50 N -0.52 1.60 0.00 5.12 0.08 -1.08 -4.94 117.98 118.24 3kk6 s PHE 50 Ca 0.17 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3kk6 s PHE 50 Cb -0.14 -0.79 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 3kk6 s PHE 50 CO 0.06 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 3kk6 n GLY 51 N 0.11 0.97 0.12 4.36 0.00 -1.26 -1.75 105.19 107.73 3kk6 n GLY 51 Ca -0.12 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 3kk6 n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kk6 h LEU 52 N 0.00 0.30 -2.59 0.99 3.38 -2.02 -3.42 115.31 111.95 3kk6 h LEU 52 Ca 0.00 -0.61 -0.14 0.00 0.09 0.00 0.00 57.88 57.22 3kk6 h LEU 52 Cb 0.00 -0.10 -0.28 0.00 0.09 0.00 0.00 40.66 40.38 3kk6 h LEU 52 CO 0.00 1.54 -0.77 -0.90 0.09 0.00 0.00 178.44 178.40 3kk6 n ASP 53 N -3.36 0.39 -4.43 -0.43 5.68 -1.25 -4.97 116.55 108.18 3kk6 n ASP 53 Ca -0.24 -1.96 -0.22 0.00 -0.50 0.00 0.00 54.79 51.86 3kk6 n ASP 53 Cb 1.05 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 3kk6 n ASP 53 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kk6 n ARG 54 N 0.31 0.79 -3.68 0.11 1.74 -0.71 -4.84 116.66 110.38 3kk6 n ARG 54 Ca -0.03 -2.92 -0.02 0.00 -0.77 0.00 0.00 57.85 54.11 3kk6 n ARG 54 Cb 0.98 0.28 -0.01 0.00 -1.02 0.00 0.00 32.46 32.68 3kk6 n ARG 54 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3kk6 s TYR 55 N -2.32 -0.11 0.08 -1.55 -0.85 -1.26 -2.64 117.35 108.70 3kk6 s TYR 55 Ca 0.28 -0.09 -0.11 0.00 -0.52 0.00 0.00 57.07 56.63 3kk6 s TYR 55 Cb -0.02 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.92 3kk6 s TYR 55 CO 0.18 -0.57 0.26 -0.65 -1.52 0.00 0.00 175.55 173.25 3kk6 s GLN 56 N -2.91 0.87 -0.14 -3.49 -0.21 -0.79 -4.85 119.66 108.14 3kk6 s GLN 56 Ca 0.12 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.73 3kk6 s GLN 56 Cb 0.01 0.37 0.01 0.00 1.00 0.00 0.00 33.01 34.40 3kk6 s GLN 56 CO -0.01 -0.29 -0.21 0.00 -2.12 0.00 0.00 175.29 172.65 3kk6 s ASP 58 N 0.90 6.33 -0.57 0.00 2.15 -0.72 -4.90 116.67 119.87 3kk6 s ASP 58 Ca -0.05 -0.29 -0.00 0.00 0.43 0.00 0.00 52.55 52.64 3kk6 s ASP 58 Cb -0.15 -2.49 0.50 0.00 -0.30 0.00 0.00 42.92 40.47 3kk6 s ASP 58 CO -0.04 -1.43 1.98 0.00 -0.17 0.00 0.00 175.17 175.51 3kk6 s THR 60 N -4.11 4.30 -1.54 0.00 2.01 -1.26 -3.64 115.64 111.40 3kk6 s THR 60 Ca 0.59 1.52 -0.05 0.00 0.31 0.00 0.00 61.69 64.06 3kk6 s THR 60 Cb 0.47 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.83 3kk6 s THR 60 CO 0.03 -0.35 0.53 0.54 -0.69 0.00 0.00 174.62 174.68 3kk6 n ARG 61 N 6.93 -4.41 0.00 4.92 1.74 -1.26 -4.86 116.66 119.73 3kk6 n ARG 61 Ca 0.14 0.87 0.10 0.00 -0.77 0.00 0.00 57.85 58.19 3kk6 n ARG 61 Cb 0.46 -5.69 0.02 0.00 -1.02 0.00 0.00 32.46 26.22 3kk6 n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kk6 n THR 62 N -4.39 0.00 -0.84 0.55 -2.24 -1.24 -4.95 114.28 101.17 3kk6 n THR 62 Ca -0.12 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3kk6 n THR 62 Cb 0.62 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 3kk6 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kk6 n GLY 63 N 1.32 0.80 3.23 3.38 0.00 -1.26 -4.99 105.19 107.67 3kk6 n GLY 63 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3kk6 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kk6 s TYR 64 N -3.10 1.15 0.00 1.61 2.02 -1.26 -2.29 117.35 115.48 3kk6 s TYR 64 Ca 0.00 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.69 3kk6 s TYR 64 Cb 0.00 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 3kk6 s TYR 64 CO 0.00 -0.21 0.00 -1.13 -1.57 0.00 0.00 175.55 172.64 3kk6 n SER 65 N -0.20 0.46 0.00 2.29 3.41 -0.99 -4.75 113.62 113.83 3kk6 n SER 65 Ca -0.07 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3kk6 n SER 65 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3kk6 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kk6 n GLY 66 N 1.14 -2.68 0.25 5.00 0.00 -1.26 -2.31 105.19 105.33 3kk6 n GLY 66 Ca 0.00 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.44 3kk6 n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kk6 h PRO 67 N 0.00 0.00 0.00 1.61 0.11 -2.01 -3.22 132.00 128.49 3kk6 h PRO 67 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kk6 h PRO 67 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kk6 h PRO 67 CO 0.00 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 177.97 3kk6 n ASN 68 N -4.23 1.00 -2.22 -2.05 3.02 -1.26 -4.13 115.26 105.38 3kk6 n ASN 68 Ca -0.03 -1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 53.29 3kk6 n ASN 68 Cb 0.17 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 3kk6 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kk6 n THR 70 N -3.49 0.80 -2.02 0.00 -2.24 -1.10 -4.54 114.28 101.68 3kk6 n THR 70 Ca -0.05 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 3kk6 n THR 70 Cb 0.55 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 3kk6 n THR 70 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kk6 s ILE 71 N -2.28 3.06 0.52 2.28 1.01 -1.22 -4.92 121.20 119.65 3kk6 s ILE 71 Ca -0.08 0.65 -0.18 0.00 0.00 0.00 0.00 60.65 61.04 3kk6 s ILE 71 Cb 0.04 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 3kk6 s ILE 71 CO 0.44 0.03 1.01 -2.16 0.00 0.00 0.00 174.94 174.26 3kk6 s PRO 72 N 1.81 3.77 0.65 2.79 0.04 -1.26 -2.34 135.00 140.45 3kk6 s PRO 72 Ca 0.69 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 3kk6 s PRO 72 Cb -0.39 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.08 3kk6 s PRO 72 CO 0.31 -0.43 0.97 -1.21 0.04 0.00 0.00 177.00 176.67 3kk6 s GLU 73 N -3.77 2.55 0.25 4.56 2.02 -0.97 -4.86 118.70 118.49 3kk6 s GLU 73 Ca 0.63 -0.12 -0.03 0.00 0.02 0.00 0.00 54.97 55.47 3kk6 s GLU 73 Cb -0.13 -2.21 0.43 0.00 0.10 0.00 0.00 34.13 32.32 3kk6 s GLU 73 CO 0.28 -0.99 1.82 0.97 0.02 0.00 0.00 175.26 177.36 3kk6 h ILE 74 N -0.41 0.92 0.21 -1.63 6.09 -1.97 -1.86 117.51 118.86 3kk6 h ILE 74 Ca -0.45 -0.29 -0.34 0.00 -1.37 0.00 0.00 64.86 62.40 3kk6 h ILE 74 Cb 1.29 -0.01 0.02 0.00 0.47 0.00 0.00 36.82 38.58 3kk6 h ILE 74 CO 0.61 0.16 -1.64 -0.50 -3.07 0.00 0.00 178.15 173.70 3kk6 h TRP 75 N 0.86 0.80 -0.05 2.19 6.55 -1.95 -3.30 115.95 121.05 3kk6 h TRP 75 Ca 0.42 -0.59 -0.10 0.00 0.95 0.00 0.00 58.89 59.58 3kk6 h TRP 75 Cb 0.38 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 3kk6 h TRP 75 CO -0.05 1.62 -0.41 1.79 -1.05 0.00 0.00 178.44 180.34 3kk6 h THR 76 N 0.12 1.31 -0.40 1.49 1.35 -1.83 -1.81 112.91 113.14 3kk6 h THR 76 Ca -0.31 -1.47 -0.08 0.00 -0.55 0.00 0.00 66.41 64.00 3kk6 h THR 76 Cb 2.12 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 70.26 3kk6 h THR 76 CO 0.21 0.43 -0.09 -0.25 -0.25 0.00 0.00 175.52 175.57 3kk6 h TRP 77 N 0.08 0.76 0.00 4.73 7.01 -1.46 -1.25 115.95 125.82 3kk6 h TRP 77 Ca 0.01 -0.13 -0.10 0.00 2.11 0.00 0.00 58.89 60.78 3kk6 h TRP 77 Cb 0.77 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3kk6 h TRP 77 CO 0.01 0.77 -0.47 1.25 -2.79 0.00 0.00 178.44 177.20 3kk6 h LEU 78 N 0.64 0.00 0.12 0.65 5.85 -1.52 -2.66 115.31 118.39 3kk6 h LEU 78 Ca 0.12 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.57 3kk6 h LEU 78 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kk6 h LEU 78 CO 0.03 0.47 -1.22 -0.09 -0.34 0.00 0.00 178.44 177.29 3kk6 h ARG 79 N 0.00 0.25 0.00 1.25 2.43 -0.87 -3.05 114.38 114.39 3kk6 h ARG 79 Ca -0.00 -0.42 -0.20 0.00 -0.81 0.00 0.00 59.98 58.55 3kk6 h ARG 79 Cb 1.15 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 3kk6 h ARG 79 CO 0.06 1.20 -1.04 0.00 -1.51 0.00 0.00 179.97 178.69 3kk6 h THR 80 N 0.07 1.31 -0.36 0.20 1.03 -1.29 -3.01 112.91 110.86 3kk6 h THR 80 Ca -0.12 -2.95 -0.10 0.00 -0.01 0.00 0.00 66.41 63.23 3kk6 h THR 80 Cb 1.95 2.63 -0.02 0.00 -1.07 0.00 0.00 68.15 71.65 3kk6 h THR 80 CO 0.20 0.74 -0.19 0.74 -0.01 0.00 0.00 175.52 177.00 3kk6 h THR 81 N 0.00 1.26 -0.94 0.00 2.02 -1.55 -2.65 112.91 111.05 3kk6 h THR 81 Ca -0.06 -1.24 -0.49 0.00 0.77 0.00 0.00 66.41 65.39 3kk6 h THR 81 Cb 1.71 1.19 -0.29 0.00 -1.74 0.00 0.00 68.15 69.02 3kk6 h THR 81 CO 0.10 0.41 0.62 0.18 0.37 0.00 0.00 175.52 177.20 3kk6 n LEU 82 N -4.14 6.54 -4.25 2.58 4.77 -1.15 -4.87 117.00 116.49 3kk6 n LEU 82 Ca 0.00 -3.49 -0.40 0.00 -0.03 0.00 0.00 56.01 52.09 3kk6 n LEU 82 Cb 0.40 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 3kk6 n LEU 82 CO 0.43 1.02 -0.09 -0.13 -1.33 0.00 0.00 177.39 177.28 3kk6 s ARG 83 N -3.13 2.56 0.62 3.23 1.81 -1.00 -5.01 118.95 118.04 3kk6 s ARG 83 Ca 0.54 -1.53 -0.18 0.00 -1.72 0.00 0.00 55.73 52.85 3kk6 s ARG 83 Cb 0.45 -3.80 -0.02 0.00 -0.45 0.00 0.00 34.95 31.14 3kk6 s ARG 83 CO 0.11 -1.00 1.20 -2.14 -0.68 0.00 0.00 175.30 172.79 3kk6 s PRO 84 N 1.40 2.81 0.65 3.54 0.02 -1.26 -4.97 135.00 137.19 3kk6 s PRO 84 Ca 0.04 1.79 -0.18 0.00 0.02 0.00 0.00 61.00 62.67 3kk6 s PRO 84 Cb -0.24 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 3kk6 s PRO 84 CO 0.01 -1.32 1.28 -1.13 -0.33 0.00 0.00 177.00 175.51 3kk6 n SER 85 N -1.84 1.98 -0.19 2.53 3.41 -1.26 -4.85 113.62 113.39 3kk6 n SER 85 Ca 0.13 0.82 0.08 0.00 -0.26 0.00 0.00 58.87 59.64 3kk6 n SER 85 Cb 0.50 -1.55 0.36 0.00 -0.26 0.00 0.00 64.21 63.26 3kk6 n SER 85 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kk6 h PRO 86 N 0.46 0.71 0.00 4.33 0.11 -1.93 -1.35 132.00 134.33 3kk6 h PRO 86 Ca -0.51 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 3kk6 h PRO 86 Cb 1.34 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3kk6 h PRO 86 CO 0.53 0.47 -0.54 0.66 -0.21 0.00 0.00 178.00 178.90 3kk6 h SER 87 N 0.73 0.00 0.12 -2.05 4.64 -1.99 -1.98 113.55 113.02 3kk6 h SER 87 Ca 0.33 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 3kk6 h SER 87 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3kk6 h SER 87 CO -0.12 0.54 -0.44 0.15 -0.87 0.00 0.00 176.83 176.09 3kk6 h PHE 88 N 0.00 0.48 0.00 4.77 3.57 -1.61 -1.57 116.94 122.58 3kk6 h PHE 88 Ca -0.01 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 3kk6 h PHE 88 Cb 0.99 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3kk6 h PHE 88 CO 0.00 0.77 -0.13 0.82 -2.23 0.00 0.00 178.31 177.54 3kk6 h ILE 89 N 0.33 0.23 -0.22 1.41 2.04 -1.25 -2.82 117.51 117.22 3kk6 h ILE 89 Ca 0.02 -1.32 -0.13 0.00 1.00 0.00 0.00 64.86 64.44 3kk6 h ILE 89 Cb 0.91 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3kk6 h ILE 89 CO 0.08 0.13 -0.37 -0.74 0.00 0.00 0.00 178.15 177.25 3kk6 h HIS 90 N 0.00 0.80 -0.77 1.37 2.76 -1.08 -2.14 115.15 116.09 3kk6 h HIS 90 Ca -0.00 -0.28 -0.05 0.00 -2.20 0.00 0.00 60.37 57.85 3kk6 h HIS 90 Cb 1.10 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 3kk6 h HIS 90 CO 0.00 1.03 0.30 0.35 -1.30 0.00 0.00 177.93 178.31 3kk6 h PHE 91 N 0.34 1.17 -0.31 5.26 3.57 -1.21 -2.09 116.94 123.69 3kk6 h PHE 91 Ca 0.02 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3kk6 h PHE 91 Cb 0.96 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3kk6 h PHE 91 CO 0.08 0.89 0.03 -0.07 -2.23 0.00 0.00 178.31 177.01 3kk6 h LEU 92 N 1.12 0.51 0.00 0.59 3.38 -1.42 -1.75 115.31 117.74 3kk6 h LEU 92 Ca 0.26 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kk6 h LEU 92 Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3kk6 h LEU 92 CO -0.02 0.66 0.00 0.18 0.09 0.00 0.00 178.44 179.35 3kk6 n LEU 93 N -4.60 0.00 -0.05 1.67 4.77 -0.81 -2.68 117.00 115.30 3kk6 n LEU 93 Ca -0.02 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 3kk6 n LEU 93 Cb 0.23 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3kk6 n LEU 93 CO 0.38 -0.03 0.43 0.35 -1.33 0.00 0.00 177.39 177.18 3kk6 n THR 94 N -1.13 0.80 -4.16 -5.08 -2.24 -0.82 -1.63 114.28 100.03 3kk6 n THR 94 Ca 0.14 -0.86 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 3kk6 n THR 94 Cb 0.12 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 3kk6 n THR 94 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kk6 s HIS 95 N -0.96 1.00 -0.49 4.78 3.76 -0.68 -4.94 115.29 117.77 3kk6 s HIS 95 Ca 0.05 -1.24 -0.02 0.00 -0.15 0.00 0.00 55.06 53.70 3kk6 s HIS 95 Cb 0.04 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.32 3kk6 s HIS 95 CO 0.00 -0.74 0.44 0.41 -0.85 0.00 0.00 174.74 174.01 3kk6 n GLY 96 N -0.31 -0.45 0.33 -2.22 0.00 -1.26 -4.84 105.19 96.45 3kk6 n GLY 96 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 3kk6 n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kk6 h ARG 97 N -0.23 1.12 -0.92 1.61 2.47 -1.95 -1.21 114.38 115.27 3kk6 h ARG 97 Ca -0.19 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3kk6 h ARG 97 Cb 1.10 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 29.12 3kk6 h ARG 97 CO 0.20 0.74 0.58 -1.49 0.56 0.00 0.00 179.97 180.56 3kk6 h TRP 98 N 1.16 1.19 -0.13 3.04 6.55 -2.00 -1.27 115.95 124.49 3kk6 h TRP 98 Ca 0.33 0.01 -0.11 0.00 0.95 0.00 0.00 58.89 60.07 3kk6 h TRP 98 Cb -0.09 -0.40 -0.01 0.00 -0.86 0.00 0.00 29.16 27.80 3kk6 h TRP 98 CO -0.01 0.78 -0.39 1.25 -1.05 0.00 0.00 178.44 179.02 3kk6 h LEU 99 N 1.26 0.30 0.00 -4.49 5.85 -1.59 -3.06 115.31 113.58 3kk6 h LEU 99 Ca 0.33 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3kk6 h LEU 99 Cb -0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3kk6 h LEU 99 CO -0.07 0.66 -0.60 0.79 -0.34 0.00 0.00 178.44 178.89 3kk6 n TRP 100 N -4.04 0.47 0.09 1.25 7.02 -0.91 -1.83 117.44 119.49 3kk6 n TRP 100 Ca -0.01 0.14 -0.05 0.00 -1.02 0.00 0.00 57.50 56.55 3kk6 n TRP 100 Cb 0.47 -0.60 0.11 0.00 -2.42 0.00 0.00 31.31 28.87 3kk6 n TRP 100 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kk6 h ASP 101 N 0.00 0.26 -0.01 -0.99 3.32 -1.15 -2.32 116.42 115.53 3kk6 h ASP 101 Ca 0.00 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 3kk6 h ASP 101 Cb 0.71 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3kk6 h ASP 101 CO 0.00 0.83 -0.18 0.15 -1.72 0.00 0.00 179.24 178.32 3kk6 h PHE 102 N 0.17 0.21 -0.82 4.55 3.57 -1.48 -3.31 116.94 119.82 3kk6 h PHE 102 Ca -0.01 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3kk6 h PHE 102 Cb 1.15 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3kk6 h PHE 102 CO 0.02 0.86 0.49 0.28 -2.23 0.00 0.00 178.31 177.74 3kk6 h VAL 103 N -0.51 1.23 -0.31 1.41 2.07 -1.43 -2.67 116.25 116.04 3kk6 h VAL 103 Ca -0.02 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3kk6 h VAL 103 Cb 0.90 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3kk6 h VAL 103 CO 0.04 0.24 0.09 0.78 0.02 0.00 0.00 177.57 178.74 3kk6 h ASN 104 N 1.12 0.40 -0.82 0.57 2.35 -1.58 -2.38 115.58 115.24 3kk6 h ASN 104 Ca 0.29 -0.04 -0.41 0.00 -0.55 0.00 0.00 56.30 55.58 3kk6 h ASN 104 Cb -0.04 -0.10 -0.25 0.00 0.05 0.00 0.00 38.32 37.98 3kk6 h ASN 104 CO -0.05 0.40 0.53 0.00 -1.65 0.00 0.00 177.43 176.65 3kk6 n ALA 105 N -2.48 5.04 -2.44 -0.83 0.00 -1.01 -4.78 120.51 114.00 3kk6 n ALA 105 Ca 0.01 -2.39 -0.11 0.00 0.00 0.00 0.00 53.44 50.95 3kk6 n ALA 105 Cb 0.16 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 3kk6 n ALA 105 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kk6 s THR 106 N -2.76 0.03 -1.88 0.00 -4.23 -0.90 -5.02 115.64 100.89 3kk6 s THR 106 Ca 0.48 -1.79 0.12 0.00 -1.18 0.00 0.00 61.69 59.32 3kk6 s THR 106 Cb 0.40 -2.26 0.32 0.00 1.34 0.00 0.00 72.50 72.30 3kk6 s THR 106 CO 0.09 -0.14 1.20 2.22 -0.54 0.00 0.00 174.62 177.46 3kk6 n PHE 107 N -0.25 0.00 0.42 3.99 1.16 -1.26 -2.29 117.46 119.23 3kk6 n PHE 107 Ca -0.02 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.70 3kk6 n PHE 107 Cb 0.64 -0.06 0.39 0.00 -1.61 0.00 0.00 39.48 38.84 3kk6 n PHE 107 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3kk6 h ILE 108 N 0.00 0.00 0.00 1.97 2.04 -1.94 -2.41 117.51 117.17 3kk6 h ILE 108 Ca 0.00 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3kk6 h ILE 108 Cb 0.02 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3kk6 h ILE 108 CO 0.00 0.00 -0.09 -0.09 0.00 0.00 0.00 178.15 177.97 3kk6 h ARG 109 N 0.00 0.00 0.00 2.37 2.43 -1.40 -1.09 114.38 116.70 3kk6 h ARG 109 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3kk6 h ARG 109 Cb 0.72 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 3kk6 h ARG 109 CO 0.00 0.09 -2.06 -0.25 -1.51 0.00 0.00 179.97 176.24 3kk6 n ASP 110 N -3.56 0.54 0.17 -3.80 9.92 -0.93 -2.41 116.55 116.47 3kk6 n ASP 110 Ca -0.02 0.20 0.02 0.00 -0.53 0.00 0.00 54.79 54.45 3kk6 n ASP 110 Cb 0.22 0.40 0.29 0.00 -0.64 0.00 0.00 41.12 41.38 3kk6 n ASP 110 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3kk6 h THR 111 N 0.00 1.26 0.00 -3.53 2.02 -1.23 -1.71 112.91 109.72 3kk6 h THR 111 Ca -0.42 -1.66 -0.30 0.00 0.77 0.00 0.00 66.41 64.80 3kk6 h THR 111 Cb 2.12 1.91 -0.05 0.00 -1.74 0.00 0.00 68.15 70.39 3kk6 h THR 111 CO 0.05 0.46 -1.93 0.18 0.37 0.00 0.00 175.52 174.66 3kk6 n LEU 112 N -3.86 0.55 0.24 2.58 4.77 -0.44 -3.36 117.00 117.48 3kk6 n LEU 112 Ca -0.01 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3kk6 n LEU 112 Cb 0.51 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.80 3kk6 n LEU 112 CO 0.40 0.40 0.41 0.24 -1.33 0.00 0.00 177.39 177.51 3kk6 h MET 113 N 0.00 -0.62 -0.82 3.23 2.86 -1.45 -1.49 114.93 116.64 3kk6 h MET 113 Ca -0.36 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 57.50 3kk6 h MET 113 Cb 2.03 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 33.78 3kk6 h MET 113 CO 0.06 -0.33 0.55 -0.09 1.06 0.00 0.00 176.91 178.16 3kk6 h ARG 114 N -1.03 0.35 -0.41 1.72 2.43 -1.51 -0.16 114.38 115.77 3kk6 h ARG 114 Ca -0.07 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 3kk6 h ARG 114 Cb 0.59 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3kk6 h ARG 114 CO 0.11 0.23 -0.20 1.25 -1.51 0.00 0.00 179.97 179.85 3kk6 h LEU 115 N 0.36 0.88 -0.96 3.80 5.85 -1.54 -1.43 115.31 122.27 3kk6 h LEU 115 Ca 0.41 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3kk6 h LEU 115 Cb 1.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3kk6 h LEU 115 CO -0.13 1.09 -0.27 0.58 -0.34 0.00 0.00 178.44 179.37 3kk6 h VAL 116 N 0.68 1.27 0.00 1.05 2.07 -0.01 -2.76 116.25 118.55 3kk6 h VAL 116 Ca 0.09 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3kk6 h VAL 116 Cb 0.76 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3kk6 h VAL 116 CO 0.06 0.40 0.00 0.18 0.02 0.00 0.00 177.57 178.23 3kk6 n LEU 117 N -4.11 0.35 -0.15 2.57 4.32 -0.24 -2.46 117.00 117.28 3kk6 n LEU 117 Ca -0.01 0.61 -0.04 0.00 -0.02 0.00 0.00 56.01 56.55 3kk6 n LEU 117 Cb 0.41 -0.40 0.02 0.00 -1.62 0.00 0.00 43.42 41.84 3kk6 n LEU 117 CO 0.42 -0.40 0.72 0.71 -1.22 0.00 0.00 177.39 177.62 3kk6 h THR 118 N 0.00 0.39 0.12 -5.08 1.35 -1.41 -1.08 112.91 107.20 3kk6 h THR 118 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3kk6 h THR 118 Cb 0.00 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 3kk6 h THR 118 CO 0.00 0.00 -0.06 0.58 -0.25 0.00 0.00 175.52 175.79 3kk6 h VAL 119 N -0.09 0.91 0.01 6.82 2.07 -1.65 -1.46 116.25 122.88 3kk6 h VAL 119 Ca 0.23 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3kk6 h VAL 119 Cb 0.44 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kk6 h VAL 119 CO -0.54 0.03 -0.01 0.03 0.02 0.00 0.00 177.57 177.10 3kk6 h ARG 120 N -0.20 -0.02 0.00 1.57 2.47 -1.22 -3.06 114.38 113.92 3kk6 h ARG 120 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3kk6 h ARG 120 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3kk6 h ARG 120 CO 0.03 0.10 0.00 -1.13 0.56 0.00 0.00 179.97 179.52 3kk6 n SER 121 N -5.04 0.46 0.00 7.04 3.41 -0.43 -2.53 113.62 116.53 3kk6 n SER 121 Ca -0.07 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 3kk6 n SER 121 Cb 0.09 -0.69 0.59 0.00 -0.26 0.00 0.00 64.21 63.93 3kk6 n SER 121 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kk6 n ASN 122 N -1.98 0.00 -0.00 4.04 3.02 -0.55 -2.43 115.26 117.35 3kk6 n ASN 122 Ca 0.04 0.43 0.14 0.00 -0.03 0.00 0.00 54.58 55.16 3kk6 n ASN 122 Cb 0.28 -0.47 0.62 0.00 -0.61 0.00 0.00 39.78 39.60 3kk6 n ASN 122 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kk6 n LEU 123 N -1.47 0.04 -4.55 3.41 4.32 -1.05 -4.74 117.00 112.95 3kk6 n LEU 123 Ca 0.07 0.43 -0.35 0.00 -0.02 0.00 0.00 56.01 56.15 3kk6 n LEU 123 Cb 0.30 -0.45 -0.11 0.00 -1.62 0.00 0.00 43.42 41.54 3kk6 n LEU 123 CO 0.24 0.01 -0.28 -0.63 -1.22 0.00 0.00 177.39 175.51 3kk6 s ILE 124 N -2.93 4.43 0.36 -0.08 1.01 -1.02 -5.06 121.20 117.92 3kk6 s ILE 124 Ca 0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 3kk6 s ILE 124 Cb 0.19 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.56 3kk6 s ILE 124 CO 0.53 0.44 1.32 -2.84 0.00 0.00 0.00 174.94 174.38 3kk6 s PRO 125 N 0.70 4.23 -0.20 2.79 0.02 -1.26 -5.02 135.00 136.26 3kk6 s PRO 125 Ca 0.02 2.23 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 3kk6 s PRO 125 Cb -0.14 -2.97 0.07 0.00 0.02 0.00 0.00 34.50 31.48 3kk6 s PRO 125 CO 0.02 -0.30 0.47 0.45 -0.33 0.00 0.00 177.00 177.31 3kk6 s SER 126 N -0.53 -0.61 1.12 2.53 0.15 -1.26 -4.03 113.70 111.06 3kk6 s SER 126 Ca 0.51 1.04 -0.18 0.00 0.70 0.00 0.00 55.95 58.02 3kk6 s SER 126 Cb -0.40 0.94 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 3kk6 s SER 126 CO 0.53 -0.21 0.08 -2.65 1.20 0.00 0.00 173.24 172.19 3kk6 n PRO 127 N 4.32 -1.58 -0.71 5.44 -0.02 -1.26 -5.03 135.00 136.16 3kk6 n PRO 127 Ca -0.22 -0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 60.49 3kk6 n PRO 127 Cb 0.56 -1.73 0.16 0.00 -0.02 0.00 0.00 33.50 32.46 3kk6 n PRO 127 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kk6 n PRO 128 N -2.22 -1.29 0.01 0.52 -0.04 -1.26 -5.02 135.00 125.70 3kk6 n PRO 128 Ca 0.01 -0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.08 3kk6 n PRO 128 Cb 0.61 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3kk6 n PRO 128 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3kk6 n THR 129 N -4.22 0.87 -4.38 0.52 5.66 -1.26 -4.91 114.28 106.55 3kk6 n THR 129 Ca 0.01 0.19 -0.21 0.00 -3.05 0.00 0.00 64.05 61.00 3kk6 n THR 129 Cb 0.62 -1.66 -0.09 0.00 -1.55 0.00 0.00 70.33 67.65 3kk6 n THR 129 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3kk6 s TYR 130 N -2.12 1.68 0.26 1.09 2.02 -1.25 -4.03 117.35 114.99 3kk6 s TYR 130 Ca -0.05 -1.34 -0.04 0.00 -0.37 0.00 0.00 57.07 55.26 3kk6 s TYR 130 Cb 0.01 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 3kk6 s TYR 130 CO 0.08 -0.46 0.40 0.27 -1.57 0.00 0.00 175.55 174.27 3kk6 n ASN 131 N -1.06 -1.14 0.09 2.29 0.23 -1.06 -1.83 115.26 112.78 3kk6 n ASN 131 Ca -0.00 -2.29 0.12 0.00 -0.53 0.00 0.00 54.58 51.88 3kk6 n ASN 131 Cb 0.65 2.05 0.61 0.00 -2.08 0.00 0.00 39.78 41.00 3kk6 n ASN 131 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3kk6 h ILE 132 N 1.71 0.90 0.00 1.53 6.09 -1.83 -2.51 117.51 123.40 3kk6 h ILE 132 Ca -0.20 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 63.24 3kk6 h ILE 132 Cb 0.85 0.77 -0.00 0.00 0.47 0.00 0.00 36.82 38.91 3kk6 h ILE 132 CO 0.27 0.02 -1.14 0.00 -3.07 0.00 0.00 178.15 174.23 3kk6 n ALA 133 N -2.56 2.55 -3.08 0.18 0.00 -1.26 -4.90 120.51 111.43 3kk6 n ALA 133 Ca 0.04 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 3kk6 n ALA 133 Cb 0.31 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.54 3kk6 n ALA 133 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3kk6 s HIS 134 N -3.38 1.01 -0.45 0.00 3.76 -0.95 -5.02 115.29 110.26 3kk6 s HIS 134 Ca -0.02 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.67 3kk6 s HIS 134 Cb 0.10 -0.72 0.51 0.00 1.11 0.00 0.00 32.58 33.57 3kk6 s HIS 134 CO 0.81 -0.12 1.69 -0.25 -0.85 0.00 0.00 174.74 176.02 3kk6 n ASP 135 N 3.35 5.07 -3.49 1.40 8.00 -1.26 -2.57 116.55 127.05 3kk6 n ASP 135 Ca -0.19 -3.75 -0.13 0.00 0.71 0.00 0.00 54.79 51.43 3kk6 n ASP 135 Cb 0.54 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3kk6 n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3kk6 s TYR 136 N -3.54 -0.50 0.04 1.24 -0.85 -1.26 -4.97 117.35 107.51 3kk6 s TYR 136 Ca 0.55 0.56 -0.30 0.00 -0.52 0.00 0.00 57.07 57.36 3kk6 s TYR 136 Cb 0.46 0.50 -0.08 0.00 0.38 0.00 0.00 41.96 43.22 3kk6 s TYR 136 CO 0.02 -0.65 1.77 0.42 -1.52 0.00 0.00 175.55 175.60 3kk6 s ILE 137 N -2.57 3.07 0.09 -3.49 1.09 -1.26 -4.76 121.20 113.38 3kk6 s ILE 137 Ca -0.02 0.33 -0.08 0.00 -1.10 0.00 0.00 60.65 59.78 3kk6 s ILE 137 Cb -0.01 -3.21 -0.00 0.00 -1.06 0.00 0.00 42.46 38.18 3kk6 s ILE 137 CO -0.04 -0.02 0.18 -0.94 -0.10 0.00 0.00 174.94 174.03 3kk6 s SER 138 N 3.24 0.13 0.35 3.58 1.04 -1.26 -5.05 113.70 115.74 3kk6 s SER 138 Ca 0.79 -0.69 0.18 0.00 0.48 0.00 0.00 55.95 56.71 3kk6 s SER 138 Cb -0.40 0.34 0.57 0.00 0.10 0.00 0.00 66.02 66.63 3kk6 s SER 138 CO 0.35 -0.73 1.68 -0.25 0.98 0.00 0.00 173.24 175.27 3kk6 h TRP 139 N 2.76 0.00 -0.09 5.02 2.91 -1.99 -2.39 115.95 122.17 3kk6 h TRP 139 Ca -0.34 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.59 3kk6 h TRP 139 Cb 1.20 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.84 3kk6 h TRP 139 CO 0.43 0.41 -0.36 1.49 -1.03 0.00 0.00 178.44 179.38 3kk6 h GLU 140 N 0.00 0.17 0.00 2.65 4.57 -1.97 -0.83 114.58 119.17 3kk6 h GLU 140 Ca -0.00 -0.07 -0.15 0.00 -1.18 0.00 0.00 59.36 57.96 3kk6 h GLU 140 Cb 0.99 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3kk6 h GLU 140 CO 0.05 0.52 -0.70 1.03 -1.18 0.00 0.00 179.01 178.73 3kk6 h SER 141 N 0.15 0.00 0.42 1.04 0.87 -1.76 -0.88 113.55 113.39 3kk6 h SER 141 Ca 0.02 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.28 3kk6 h SER 141 Cb 0.71 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 3kk6 h SER 141 CO 0.05 0.70 -1.80 0.33 -0.53 0.00 0.00 176.83 175.58 3kk6 n PHE 142 N -3.44 0.83 0.06 2.24 7.35 -1.09 -4.38 117.46 119.03 3kk6 n PHE 142 Ca 0.00 0.30 -0.21 0.00 -0.76 0.00 0.00 57.45 56.78 3kk6 n PHE 142 Cb 0.76 -1.14 -0.15 0.00 0.35 0.00 0.00 39.48 39.29 3kk6 n PHE 142 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3kk6 h SER 143 N 0.00 0.55 -3.01 -2.13 0.87 -1.18 -3.45 113.55 105.20 3kk6 h SER 143 Ca -0.32 -0.84 -0.57 0.00 -1.23 0.00 0.00 61.79 58.83 3kk6 h SER 143 Cb 2.02 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 63.75 3kk6 h SER 143 CO 0.07 1.71 0.84 0.21 -0.53 0.00 0.00 176.83 179.13 3kk6 s ASN 144 N -7.19 7.03 0.01 6.23 3.84 -0.34 -4.91 114.94 119.61 3kk6 s ASN 144 Ca -0.15 1.52 0.20 0.00 0.21 0.00 0.00 52.86 54.64 3kk6 s ASN 144 Cb 0.06 -2.54 -0.20 0.00 -0.55 0.00 0.00 41.25 38.02 3kk6 s ASN 144 CO 0.85 -0.71 0.62 0.52 -2.79 0.00 0.00 177.10 175.59 3kk6 n VAL 145 N 5.33 0.72 0.47 -5.21 0.31 -1.26 -4.17 118.33 114.51 3kk6 n VAL 145 Ca 0.13 -0.63 0.04 0.00 -0.01 0.00 0.00 64.34 63.86 3kk6 n VAL 145 Cb 0.46 -0.37 0.21 0.00 -0.91 0.00 0.00 33.84 33.23 3kk6 n VAL 145 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kk6 n SER 146 N -2.61 0.00 -4.91 4.52 7.64 -1.26 -4.66 113.62 112.34 3kk6 n SER 146 Ca -0.10 -0.24 -0.31 0.00 1.01 0.00 0.00 58.87 59.23 3kk6 n SER 146 Cb 0.75 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.91 3kk6 n SER 146 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kk6 s TYR 147 N -2.00 3.50 -0.33 1.43 2.02 -1.26 -1.73 117.35 118.98 3kk6 s TYR 147 Ca 0.11 0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 57.03 3kk6 s TYR 147 Cb 0.05 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 3kk6 s TYR 147 CO 0.08 0.51 0.65 0.71 -1.57 0.00 0.00 175.55 175.93 3kk6 s TYR 148 N -1.58 3.18 1.24 2.71 2.02 -0.99 -4.69 117.35 119.23 3kk6 s TYR 148 Ca 0.38 0.49 -0.17 0.00 -0.37 0.00 0.00 57.07 57.40 3kk6 s TYR 148 Cb -0.13 -3.09 0.31 0.00 -0.40 0.00 0.00 41.96 38.65 3kk6 s TYR 148 CO 0.26 -0.56 1.01 -0.08 -1.57 0.00 0.00 175.55 174.60 3kk6 s THR 149 N 2.70 1.71 -0.17 -0.71 -1.32 -0.78 -3.99 115.64 113.09 3kk6 s THR 149 Ca 0.26 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.66 3kk6 s THR 149 Cb -0.15 -2.15 0.06 0.00 -1.51 0.00 0.00 72.50 68.76 3kk6 s THR 149 CO 0.13 0.00 0.39 0.00 -2.21 0.00 0.00 174.62 172.93 3kk6 s ARG 150 N -4.79 0.34 0.30 7.08 1.70 -0.76 -0.91 118.95 121.92 3kk6 s ARG 150 Ca 0.68 0.81 -0.00 0.00 -0.47 0.00 0.00 55.73 56.76 3kk6 s ARG 150 Cb -0.19 0.04 0.50 0.00 -0.57 0.00 0.00 34.95 34.73 3kk6 s ARG 150 CO 0.61 -0.19 1.94 0.97 -1.08 0.00 0.00 175.30 177.55 3kk6 h ILE 151 N 5.77 1.13 -4.06 4.99 6.09 -1.97 -3.34 117.51 126.11 3kk6 h ILE 151 Ca -0.31 -0.36 -0.64 0.00 -1.37 0.00 0.00 64.86 62.18 3kk6 h ILE 151 Cb 1.16 -0.02 -0.24 0.00 0.47 0.00 0.00 36.82 38.19 3kk6 h ILE 151 CO 0.25 0.19 -0.86 -0.76 -3.07 0.00 0.00 178.15 173.91 3kk6 s LEU 152 N -9.95 2.25 1.07 2.19 1.43 -1.26 -4.96 118.68 109.45 3kk6 s LEU 152 Ca -0.11 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 3kk6 s LEU 152 Cb 0.19 -1.12 0.23 0.00 0.03 0.00 0.00 46.19 45.53 3kk6 s LEU 152 CO 0.80 0.17 1.06 -2.84 0.23 0.00 0.00 176.35 175.77 3kk6 s PRO 153 N -1.66 -0.20 0.71 1.29 0.02 -1.26 -4.95 135.00 128.95 3kk6 s PRO 153 Ca 0.11 0.83 -0.07 0.00 0.02 0.00 0.00 61.00 61.88 3kk6 s PRO 153 Cb -0.10 -1.64 0.06 0.00 0.02 0.00 0.00 34.50 32.84 3kk6 s PRO 153 CO 0.04 -3.24 1.03 -1.54 -0.33 0.00 0.00 177.00 172.96 3kk6 s SER 154 N -2.85 4.83 -0.40 2.53 1.04 -1.26 -4.50 113.70 113.08 3kk6 s SER 154 Ca 0.67 0.51 -0.25 0.00 0.48 0.00 0.00 55.95 57.37 3kk6 s SER 154 Cb -0.22 -1.16 0.02 0.00 0.10 0.00 0.00 66.02 64.75 3kk6 s SER 154 CO 0.61 -1.60 0.86 -0.69 0.98 0.00 0.00 173.24 173.41 3kk6 s VAL 155 N -3.27 4.61 0.05 5.02 1.01 -0.80 -4.97 120.40 122.05 3kk6 s VAL 155 Ca 0.60 0.88 -0.38 0.00 0.00 0.00 0.00 61.98 63.08 3kk6 s VAL 155 Cb -0.11 -4.32 -0.18 0.00 0.00 0.00 0.00 36.38 31.77 3kk6 s VAL 155 CO 0.45 -0.61 1.25 -2.65 0.00 0.00 0.00 175.10 173.54 3kk6 n PRO 156 N 6.77 0.75 0.25 2.72 -0.02 -1.26 -4.80 135.00 139.40 3kk6 n PRO 156 Ca 0.05 0.27 0.17 0.00 -2.02 0.00 0.00 63.50 61.97 3kk6 n PRO 156 Cb 0.48 -1.86 0.87 0.00 -0.02 0.00 0.00 33.50 32.97 3kk6 n PRO 156 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3kk6 h ARG 157 N 4.02 0.00 -1.05 -0.52 -0.00 -1.97 -1.92 114.38 112.95 3kk6 h ARG 157 Ca -0.49 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 59.21 3kk6 h ARG 157 Cb 1.37 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 31.18 3kk6 h ARG 157 CO 0.73 0.00 0.36 -0.40 -0.00 0.00 0.00 179.97 180.66 3kk6 n ASP 158 N -2.72 3.70 -4.76 0.08 5.75 -1.26 -4.88 116.55 112.46 3kk6 n ASP 158 Ca -0.01 -2.87 -0.31 0.00 -0.01 0.00 0.00 54.79 51.58 3kk6 n ASP 158 Cb 0.10 -0.71 -0.07 0.00 -1.03 0.00 0.00 41.12 39.41 3kk6 n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kk6 h PRO 160 N 3.55 -0.27 -6.56 0.00 0.11 -1.90 -3.43 132.00 123.50 3kk6 h PRO 160 Ca -0.47 0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 3kk6 h PRO 160 Cb 1.17 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kk6 h PRO 160 CO 0.64 -0.18 -0.11 -0.08 -0.21 0.00 0.00 178.00 178.06 3kk6 s THR 161 N -3.89 5.01 0.50 -1.15 -1.32 -1.13 -4.98 115.64 108.67 3kk6 s THR 161 Ca -0.05 0.05 0.21 0.00 -1.21 0.00 0.00 61.69 60.68 3kk6 s THR 161 Cb 0.02 -3.76 0.37 0.00 -1.51 0.00 0.00 72.50 67.61 3kk6 s THR 161 CO 0.19 -0.41 2.00 -0.65 -2.21 0.00 0.00 174.62 173.54 3kk6 h PRO 162 N 1.40 0.14 -0.57 7.08 0.11 -1.81 -2.13 132.00 136.22 3kk6 h PRO 162 Ca -0.48 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 3kk6 h PRO 162 Cb 1.19 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 3kk6 h PRO 162 CO 0.65 0.09 0.18 -1.33 -0.21 0.00 0.00 178.00 177.38 3kk6 n MET 163 N -4.42 2.45 0.00 1.05 2.81 -1.26 -4.91 117.12 112.83 3kk6 n MET 163 Ca 0.09 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 3kk6 n MET 163 Cb 0.50 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 3kk6 n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kk6 n GLY 164 N -0.86 1.50 0.00 3.03 0.00 -0.80 -4.55 105.19 103.51 3kk6 n GLY 164 Ca 0.40 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3kk6 n GLY 164 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kk6 n THR 165 N 0.00 0.00 -3.60 2.61 -2.24 -1.25 -2.83 114.28 106.97 3kk6 n THR 165 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3kk6 n THR 165 Cb 0.00 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 3kk6 n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kk6 s LYS 166 N -1.14 3.64 0.00 -0.78 -0.14 -1.26 -4.73 119.74 115.33 3kk6 s LYS 166 Ca 0.00 -0.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 3kk6 s LYS 166 Cb 0.00 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 3kk6 s LYS 166 CO 0.00 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.41 3kk6 n GLY 167 N -0.13 -3.24 3.89 -3.33 0.00 -1.26 -4.56 105.19 96.56 3kk6 n GLY 167 Ca -0.02 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 3kk6 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kk6 s LYS 168 N -1.00 3.26 0.61 1.61 -0.14 -0.99 -4.90 119.74 118.18 3kk6 s LYS 168 Ca 0.00 0.40 0.33 0.00 -1.36 0.00 0.00 55.97 55.35 3kk6 s LYS 168 Cb 0.00 -2.17 1.95 0.00 -1.68 0.00 0.00 37.83 35.93 3kk6 s LYS 168 CO 0.00 -0.64 2.27 0.87 -0.76 0.00 0.00 175.35 177.10 3kk6 h LYS 169 N -0.26 0.00 -5.45 1.68 1.57 -1.95 -3.42 116.57 108.73 3kk6 h LYS 169 Ca -0.45 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.84 3kk6 h LYS 169 Cb 1.22 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.27 3kk6 h LYS 169 CO 0.62 0.01 -0.81 1.14 -0.57 0.00 0.00 179.45 179.84 3kk6 s GLN 170 N -4.49 1.11 0.20 3.15 -2.07 -1.26 -4.56 119.66 111.74 3kk6 s GLN 170 Ca -0.05 -0.69 -0.05 0.00 -1.82 0.00 0.00 55.36 52.75 3kk6 s GLN 170 Cb 0.14 -1.12 -0.06 0.00 -1.09 0.00 0.00 33.01 30.89 3kk6 s GLN 170 CO 0.52 0.29 0.45 -0.51 -1.32 0.00 0.00 175.29 174.72 3kk6 s LEU 171 N -0.82 4.20 0.74 2.60 1.43 -1.26 -4.91 118.68 120.65 3kk6 s LEU 171 Ca 0.04 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 53.63 3kk6 s LEU 171 Cb -0.07 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 3kk6 s LEU 171 CO 0.01 -0.04 0.75 -2.65 0.23 0.00 0.00 176.35 174.64 3kk6 n PRO 172 N -0.30 0.34 -1.85 1.29 -0.02 -1.26 -4.88 135.00 128.32 3kk6 n PRO 172 Ca -0.02 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 3kk6 n PRO 172 Cb 0.53 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 3kk6 n PRO 172 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3kk6 s ASP 173 N -1.61 6.50 0.23 2.55 1.47 -1.26 -4.90 116.67 119.65 3kk6 s ASP 173 Ca 0.69 2.71 -0.08 0.00 1.18 0.00 0.00 52.55 57.05 3kk6 s ASP 173 Cb -0.34 -2.59 0.24 0.00 -0.34 0.00 0.00 42.92 39.89 3kk6 s ASP 173 CO 0.55 -0.89 1.88 0.00 0.68 0.00 0.00 175.17 177.39 3kk6 h ALA 174 N 6.99 1.10 -0.47 2.11 0.00 -1.93 -1.19 119.26 125.87 3kk6 h ALA 174 Ca -0.43 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 3kk6 h ALA 174 Cb 1.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3kk6 h ALA 174 CO 0.93 0.41 -0.23 1.05 0.00 0.00 0.00 179.25 181.42 3kk6 h GLU 175 N 1.09 0.97 -0.14 0.00 9.09 -1.90 -2.83 114.58 120.86 3kk6 h GLU 175 Ca 0.33 -0.42 -0.12 0.00 0.05 0.00 0.00 59.36 59.20 3kk6 h GLU 175 Cb -0.03 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 3kk6 h GLU 175 CO -0.10 1.09 -0.45 0.35 0.05 0.00 0.00 179.01 179.95 3kk6 h PHE 176 N 0.84 0.40 -0.16 2.06 3.57 -1.85 -1.77 116.94 120.02 3kk6 h PHE 176 Ca 0.11 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3kk6 h PHE 176 Cb 0.80 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3kk6 h PHE 176 CO 0.05 0.73 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.52 3kk6 h LEU 177 N 0.27 0.30 0.00 0.59 3.38 -1.14 -2.51 115.31 116.20 3kk6 h LEU 177 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kk6 h LEU 177 Cb 0.90 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kk6 h LEU 177 CO 0.07 0.57 -0.45 0.28 0.09 0.00 0.00 178.44 179.01 3kk6 h SER 178 N 0.27 0.00 -0.19 -0.43 0.02 -1.23 -2.12 113.55 109.86 3kk6 h SER 178 Ca 0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3kk6 h SER 178 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3kk6 h SER 178 CO 0.04 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.28 3kk6 n ARG 179 N -2.87 2.25 0.00 3.45 3.00 -0.69 0.12 116.66 121.92 3kk6 n ARG 179 Ca 0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 57.85 56.01 3kk6 n ARG 179 Cb 0.53 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.52 3kk6 n ARG 179 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3kk6 n ARG 180 N 1.13 2.96 0.00 5.56 3.00 -0.97 -4.72 116.66 123.63 3kk6 n ARG 180 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 3kk6 n ARG 180 Cb 0.54 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 32.30 3kk6 n ARG 180 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3kk6 n PHE 181 N -0.75 0.00 -0.00 -0.14 3.72 -0.80 -4.82 117.46 114.67 3kk6 n PHE 181 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kk6 n PHE 181 Cb 0.06 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3kk6 n PHE 181 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kk6 n LEU 182 N -0.62 0.00 -4.74 4.37 4.32 -1.19 -4.14 117.00 115.00 3kk6 n LEU 182 Ca 0.00 -0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.57 3kk6 n LEU 182 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 3kk6 n LEU 182 CO 0.00 0.00 0.98 -0.22 -1.22 0.00 0.00 177.39 176.93 3kk6 s LEU 183 N -3.04 4.42 -0.07 2.23 2.96 0.12 -1.00 118.68 124.30 3kk6 s LEU 183 Ca -0.00 2.41 -0.25 0.00 -0.22 0.00 0.00 54.13 56.07 3kk6 s LEU 183 Cb 0.00 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3kk6 s LEU 183 CO 0.03 -0.52 0.76 -0.60 -1.32 0.00 0.00 176.35 174.69 3kk6 s ARG 184 N -0.21 4.43 -0.05 1.98 3.52 -0.61 -4.37 118.95 123.65 3kk6 s ARG 184 Ca 0.56 0.97 -0.04 0.00 -0.13 0.00 0.00 55.73 57.09 3kk6 s ARG 184 Cb -0.36 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.54 3kk6 s ARG 184 CO 0.39 -0.01 -0.09 0.54 -0.81 0.00 0.00 175.30 175.33 3kk6 n ARG 185 N 4.00 0.14 -4.75 5.12 3.00 -1.26 -4.83 116.66 118.08 3kk6 n ARG 185 Ca 0.01 0.10 -0.32 0.00 -0.01 0.00 0.00 57.85 57.62 3kk6 n ARG 185 Cb 0.51 -0.79 -0.12 0.00 0.00 0.00 0.00 32.46 32.06 3kk6 n ARG 185 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3kk6 s LYS 186 N -1.48 2.45 0.03 5.56 3.01 -1.26 -5.08 119.74 122.97 3kk6 s LYS 186 Ca -0.07 -0.74 -0.30 0.00 -1.01 0.00 0.00 55.97 53.85 3kk6 s LYS 186 Cb 0.01 -2.38 -0.08 0.00 -1.01 0.00 0.00 37.83 34.37 3kk6 s LYS 186 CO 0.10 0.61 1.77 0.12 0.51 0.00 0.00 175.35 178.46 3kk6 s PHE 187 N -0.82 1.92 -0.54 3.18 5.36 -1.26 -4.96 117.98 120.85 3kk6 s PHE 187 Ca 0.13 0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.06 3kk6 s PHE 187 Cb -0.11 -4.06 0.14 0.00 -0.34 0.00 0.00 43.02 38.66 3kk6 s PHE 187 CO 0.03 -4.48 0.37 0.42 -1.46 0.00 0.00 175.22 170.10 3kk6 s ILE 188 N 3.61 3.88 1.11 3.12 1.01 -1.26 -5.09 121.20 127.58 3kk6 s ILE 188 Ca 0.79 -2.35 -0.12 0.00 0.00 0.00 0.00 60.65 58.97 3kk6 s ILE 188 Cb -0.39 -3.56 0.25 0.00 0.01 0.00 0.00 42.46 38.77 3kk6 s ILE 188 CO 0.35 -0.81 1.05 -2.84 0.00 0.00 0.00 174.94 172.69 3kk6 s PRO 189 N 0.68 -0.50 -0.05 2.79 0.02 -1.26 -1.77 135.00 134.91 3kk6 s PRO 189 Ca 0.11 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 61.73 3kk6 s PRO 189 Cb -0.22 -1.60 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 3kk6 s PRO 189 CO -0.03 -3.46 1.05 0.34 -0.33 0.00 0.00 177.00 174.56 3kk6 s ASP 190 N -2.66 7.24 0.21 2.53 2.15 -1.14 -3.99 116.67 121.01 3kk6 s ASP 190 Ca 0.68 1.66 0.17 0.00 0.43 0.00 0.00 52.55 55.49 3kk6 s ASP 190 Cb -0.24 -2.56 0.85 0.00 -0.30 0.00 0.00 42.92 40.66 3kk6 s ASP 190 CO 0.63 -0.41 1.53 -2.65 -0.17 0.00 0.00 175.17 174.10 3kk6 n PRO 191 N 4.57 0.11 0.05 4.34 -0.02 -1.26 -2.11 135.00 140.68 3kk6 n PRO 191 Ca 0.08 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3kk6 n PRO 191 Cb 0.49 -1.80 0.10 0.00 -0.02 0.00 0.00 33.50 32.26 3kk6 n PRO 191 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kk6 n GLN 192 N -2.03 0.30 -0.19 -0.52 6.02 -1.26 -4.94 117.38 114.76 3kk6 n GLN 192 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3kk6 n GLN 192 Cb 0.09 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.71 3kk6 n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kk6 n GLY 193 N 1.35 0.80 3.30 1.08 0.00 -0.90 -4.97 105.19 105.85 3kk6 n GLY 193 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 3kk6 n GLY 193 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kk6 n THR 194 N -2.00 1.41 -4.34 2.61 -1.04 -1.26 -1.51 114.28 108.15 3kk6 n THR 194 Ca 0.00 -0.49 -0.18 0.00 -2.04 0.00 0.00 64.05 61.34 3kk6 n THR 194 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3kk6 n THR 194 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3kk6 n ASN 195 N 2.11 2.69 0.21 8.00 0.23 -1.00 -1.64 115.26 125.85 3kk6 n ASN 195 Ca 0.15 -2.21 0.10 0.00 -0.53 0.00 0.00 54.58 52.09 3kk6 n ASN 195 Cb 0.31 0.17 0.22 0.00 -2.08 0.00 0.00 39.78 38.40 3kk6 n ASN 195 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3kk6 h LEU 196 N 0.00 0.00 -1.33 -4.53 3.38 -1.06 -2.70 115.31 109.07 3kk6 h LEU 196 Ca -0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3kk6 h LEU 196 Cb 0.70 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3kk6 h LEU 196 CO 0.38 0.15 0.46 -0.03 0.09 0.00 0.00 178.44 179.48 3kk6 h MET 197 N 0.00 0.89 0.01 1.13 4.05 -1.79 -0.67 114.93 118.54 3kk6 h MET 197 Ca -0.00 -0.05 -0.22 0.00 -0.28 0.00 0.00 59.70 59.15 3kk6 h MET 197 Cb 1.01 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 3kk6 h MET 197 CO 0.02 0.59 -0.94 0.35 0.23 0.00 0.00 176.91 177.16 3kk6 h PHE 198 N 0.91 0.50 -0.52 1.39 3.57 -1.72 -2.87 116.94 118.20 3kk6 h PHE 198 Ca 0.26 -0.28 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3kk6 h PHE 198 Cb -0.07 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3kk6 h PHE 198 CO -0.00 1.10 0.10 0.00 -2.23 0.00 0.00 178.31 177.29 3kk6 h ALA 199 N 0.81 1.21 0.00 2.41 0.00 -0.98 -1.42 119.26 121.29 3kk6 h ALA 199 Ca -0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3kk6 h ALA 199 Cb 1.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3kk6 h ALA 199 CO 0.16 0.54 -0.82 0.74 0.00 0.00 0.00 179.25 179.87 3kk6 h PHE 200 N 0.77 0.00 0.00 0.00 0.04 -1.23 -2.85 116.94 113.67 3kk6 h PHE 200 Ca 0.17 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.83 3kk6 h PHE 200 Cb 0.32 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 3kk6 h PHE 200 CO 0.02 0.23 -0.51 0.35 -0.60 0.00 0.00 178.31 177.80 3kk6 h PHE 201 N 0.00 0.00 -0.00 -0.55 3.57 -1.26 -1.98 116.94 116.72 3kk6 h PHE 201 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3kk6 h PHE 201 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3kk6 h PHE 201 CO 0.00 0.51 -0.06 0.00 -2.23 0.00 0.00 178.31 176.52 3kk6 h ALA 202 N 1.49 0.01 -0.01 2.41 0.00 -1.24 -1.90 119.26 120.02 3kk6 h ALA 202 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3kk6 h ALA 202 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kk6 h ALA 202 CO 0.07 -0.06 -0.36 0.37 0.00 0.00 0.00 179.25 179.27 3kk6 h GLN 203 N -0.70 0.02 0.04 0.00 4.15 -1.57 -1.23 115.11 115.82 3kk6 h GLN 203 Ca -0.01 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 3kk6 h GLN 203 Cb 0.83 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.53 3kk6 h GLN 203 CO 0.01 0.37 -0.48 1.25 -1.93 0.00 0.00 178.83 178.06 3kk6 h HIS 204 N 0.01 0.41 0.00 3.99 2.76 -1.42 -3.10 115.15 117.80 3kk6 h HIS 204 Ca -0.00 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 3kk6 h HIS 204 Cb 0.64 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.56 3kk6 h HIS 204 CO 0.00 1.11 -0.01 0.34 -1.30 0.00 0.00 177.93 178.07 3kk6 n PHE 205 N -4.33 0.78 0.03 5.26 7.35 -0.72 -3.55 117.46 122.29 3kk6 n PHE 205 Ca -0.11 0.23 0.05 0.00 -0.76 0.00 0.00 57.45 56.86 3kk6 n PHE 205 Cb 0.64 -0.87 -0.09 0.00 0.35 0.00 0.00 39.48 39.51 3kk6 n PHE 205 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 3kk6 n THR 206 N -2.14 0.75 1.54 -2.13 5.66 -0.47 -4.14 114.28 113.35 3kk6 n THR 206 Ca 0.06 -0.62 0.02 0.00 -3.05 0.00 0.00 64.05 60.46 3kk6 n THR 206 Cb 0.42 -0.41 0.07 0.00 -1.55 0.00 0.00 70.33 68.86 3kk6 n THR 206 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3kk6 n HIS 207 N -2.66 0.19 0.65 1.09 8.25 -1.17 -3.00 115.22 118.57 3kk6 n HIS 207 Ca -0.08 -0.10 0.11 0.00 -0.26 0.00 0.00 57.72 57.40 3kk6 n HIS 207 Cb 0.72 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.90 3kk6 n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kk6 n GLN 208 N -0.08 0.23 0.00 -0.41 10.64 -1.26 -4.09 117.38 122.42 3kk6 n GLN 208 Ca 0.05 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 3kk6 n GLN 208 Cb 0.12 -1.59 0.00 0.00 -0.86 0.00 0.00 30.24 27.91 3kk6 n GLN 208 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 3kk6 n PHE 209 N -1.90 0.00 -3.91 2.61 1.16 -1.19 -4.64 117.46 109.58 3kk6 n PHE 209 Ca 0.03 -0.23 -0.30 0.00 -1.87 0.00 0.00 57.45 55.08 3kk6 n PHE 209 Cb 0.42 -0.02 -0.14 0.00 -1.61 0.00 0.00 39.48 38.12 3kk6 n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3kk6 s PHE 210 N -0.45 3.04 -0.43 2.97 0.08 -1.16 -4.82 117.98 117.20 3kk6 s PHE 210 Ca 0.00 -2.87 0.10 0.00 0.12 0.00 0.00 56.93 54.28 3kk6 s PHE 210 Cb 0.00 -2.60 0.35 0.00 -0.57 0.00 0.00 43.02 40.20 3kk6 s PHE 210 CO 0.00 -0.83 0.81 1.63 -0.10 0.00 0.00 175.22 176.74 3kk6 n LYS 211 N 3.70 1.73 -1.67 0.44 5.02 -1.26 -4.73 118.16 121.39 3kk6 n LYS 211 Ca 0.05 -3.85 -0.49 0.00 -2.02 0.00 0.00 58.31 51.99 3kk6 n LYS 211 Cb 0.36 -1.86 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 3kk6 n LYS 211 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3kk6 n THR 212 N 0.09 0.23 -2.44 -0.18 -1.04 -1.25 -1.72 114.28 107.97 3kk6 n THR 212 Ca 0.26 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.81 3kk6 n THR 212 Cb 0.58 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.54 3kk6 n THR 212 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kk6 s SER 213 N 2.19 7.08 0.22 8.00 0.15 -0.92 -4.85 113.70 125.57 3kk6 s SER 213 Ca 0.86 1.93 0.09 0.00 0.70 0.00 0.00 55.95 59.53 3kk6 s SER 213 Cb -0.76 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.14 3kk6 s SER 213 CO 0.46 -0.51 1.50 1.23 1.20 0.00 0.00 173.24 177.12 3kk6 h GLY 214 N 7.33 0.01 0.48 9.45 0.00 -1.87 -1.55 103.07 116.93 3kk6 h GLY 214 Ca -0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3kk6 h GLY 214 CO 0.83 0.02 -0.22 0.07 0.00 0.00 0.00 176.54 177.24 3kk6 h LYS 215 N 0.01 -0.59 0.00 4.80 -0.00 -2.00 -3.20 116.57 115.59 3kk6 h LYS 215 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.68 3kk6 h LYS 215 Cb 1.33 0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.69 3kk6 h LYS 215 CO 0.10 -0.36 0.00 0.52 -0.00 0.00 0.00 179.45 179.70 3kk6 h MET 216 N -1.14 0.00 0.00 0.07 2.86 -1.99 -3.49 114.93 111.25 3kk6 h MET 216 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kk6 h MET 216 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kk6 h MET 216 CO 0.10 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.48 3kk6 n GLY 217 N -0.10 -2.49 3.69 8.32 0.00 -0.58 -4.89 105.19 109.14 3kk6 n GLY 217 Ca 0.01 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 3kk6 n GLY 217 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kk6 n PRO 218 N -0.40 1.29 -0.70 1.61 -0.02 -1.26 -3.37 135.00 132.16 3kk6 n PRO 218 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3kk6 n PRO 218 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 3kk6 n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kk6 n GLY 219 N 0.98 0.59 3.05 -1.23 0.00 -1.26 -5.05 105.19 102.27 3kk6 n GLY 219 Ca 0.13 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 3kk6 n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kk6 s PHE 220 N -2.00 0.51 0.02 1.61 0.08 -1.22 -2.35 117.98 114.63 3kk6 s PHE 220 Ca 0.00 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.36 3kk6 s PHE 220 Cb 0.00 -0.34 -0.01 0.00 -0.57 0.00 0.00 43.02 42.10 3kk6 s PHE 220 CO 0.00 -0.21 -0.10 -0.08 -0.10 0.00 0.00 175.22 174.73 3kk6 s THR 221 N -2.39 0.79 -0.03 0.64 -1.32 -0.70 -2.16 115.64 110.46 3kk6 s THR 221 Ca -0.05 -0.69 0.10 0.00 -1.21 0.00 0.00 61.69 59.85 3kk6 s THR 221 Cb -0.03 -0.71 -0.23 0.00 -1.51 0.00 0.00 72.50 70.01 3kk6 s THR 221 CO -0.04 0.04 0.72 0.07 -2.21 0.00 0.00 174.62 173.20 3kk6 h LYS 222 N 5.37 0.03 -6.05 7.08 -0.00 -1.66 -3.43 116.57 117.91 3kk6 h LYS 222 Ca -0.34 -0.05 -0.59 0.00 -0.00 0.00 0.00 60.65 59.67 3kk6 h LYS 222 Cb 1.18 0.02 -0.10 0.00 -0.00 0.00 0.00 32.23 33.33 3kk6 h LYS 222 CO 0.46 0.63 1.21 0.00 -0.00 0.00 0.00 179.45 181.75 3kk6 s ALA 223 N -2.61 2.81 -1.86 0.07 0.00 -1.26 -4.82 121.76 114.09 3kk6 s ALA 223 Ca -0.05 -1.95 0.31 0.00 0.00 0.00 0.00 51.96 50.27 3kk6 s ALA 223 Cb 0.08 -4.34 1.72 0.00 0.00 0.00 0.00 23.12 20.58 3kk6 s ALA 223 CO 0.82 -3.38 2.13 1.28 0.00 0.00 0.00 175.76 176.62 3kk6 n LEU 224 N 8.77 0.11 0.04 0.00 4.77 -1.26 -3.40 117.00 126.03 3kk6 n LEU 224 Ca 0.18 0.05 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 3kk6 n LEU 224 Cb 0.50 -0.09 0.33 0.00 -2.33 0.00 0.00 43.42 41.83 3kk6 n LEU 224 CO 0.66 0.02 0.91 1.23 -1.33 0.00 0.00 177.39 178.88 3kk6 h GLY 225 N 4.99 0.45 -5.37 -0.72 0.00 -1.88 -3.46 103.07 97.08 3kk6 h GLY 225 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 47.33 46.68 3kk6 h GLY 225 CO 0.00 0.25 -0.56 1.42 0.00 0.00 0.00 176.54 177.65 3kk6 n HIS 226 N -4.27 -1.80 -1.64 5.60 8.25 -1.22 -4.78 115.22 115.36 3kk6 n HIS 226 Ca 0.01 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 3kk6 n HIS 226 Cb 0.26 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.30 3kk6 n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kk6 n GLY 227 N -1.20 -0.65 2.95 -1.41 0.00 -1.26 -4.35 105.19 99.26 3kk6 n GLY 227 Ca -0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3kk6 n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kk6 n VAL 228 N 1.54 4.12 0.04 1.61 0.31 -1.26 -4.51 118.33 120.17 3kk6 n VAL 228 Ca 0.00 -4.12 0.12 0.00 -0.01 0.00 0.00 64.34 60.33 3kk6 n VAL 228 Cb 0.00 -2.43 0.25 0.00 -0.91 0.00 0.00 33.84 30.75 3kk6 n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kk6 n ASP 229 N 4.83 3.62 -4.09 4.52 5.75 -1.26 -4.93 116.55 124.99 3kk6 n ASP 229 Ca 0.43 -1.99 -0.31 0.00 -0.01 0.00 0.00 54.79 52.91 3kk6 n ASP 229 Cb 0.38 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 3kk6 n ASP 229 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3kk6 n LEU 230 N 1.51 -1.95 0.23 -2.12 4.77 -1.26 -4.82 117.00 113.36 3kk6 n LEU 230 Ca 0.21 -1.01 0.15 0.00 -0.03 0.00 0.00 56.01 55.34 3kk6 n LEU 230 Cb 0.60 -2.15 0.57 0.00 -2.33 0.00 0.00 43.42 40.11 3kk6 n LEU 230 CO 0.16 0.37 0.94 1.23 -1.33 0.00 0.00 177.39 178.76 3kk6 h GLY 231 N -1.69 0.00 -0.56 -0.72 0.00 -1.89 -1.86 103.07 96.35 3kk6 h GLY 231 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3kk6 h GLY 231 CO 0.70 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.85 3kk6 n HIS 232 N -2.88 0.21 0.00 5.60 1.44 -1.26 -1.70 115.22 116.63 3kk6 n HIS 232 Ca 0.02 -0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 3kk6 n HIS 232 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 3kk6 n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3kk6 n ILE 233 N -0.04 0.00 -0.07 0.61 5.41 -0.86 -2.84 119.36 121.58 3kk6 n ILE 233 Ca 0.06 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.69 3kk6 n ILE 233 Cb 0.14 -0.77 -0.05 0.00 -0.71 0.00 0.00 39.64 38.26 3kk6 n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3kk6 n TYR 234 N -2.52 0.00 -0.01 1.39 4.01 -0.76 -3.27 117.16 116.00 3kk6 n TYR 234 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kk6 n TYR 234 Cb 0.35 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 3kk6 n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kk6 n GLY 235 N 2.39 -3.24 0.15 2.72 0.00 -0.69 -3.95 105.19 102.57 3kk6 n GLY 235 Ca -0.25 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.68 3kk6 n GLY 235 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kk6 n ASP 236 N -0.38 0.58 -4.12 1.61 5.68 -1.21 -4.43 116.55 114.28 3kk6 n ASP 236 Ca 0.00 -0.70 -0.19 0.00 -0.50 0.00 0.00 54.79 53.40 3kk6 n ASP 236 Cb 0.00 -0.04 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 3kk6 n ASP 236 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kk6 s ASN 237 N -2.42 1.61 0.01 -1.12 4.22 -1.26 -4.81 114.94 111.17 3kk6 s ASN 237 Ca 0.30 -1.51 -0.17 0.00 -2.14 0.00 0.00 52.86 49.34 3kk6 s ASN 237 Cb 0.20 0.31 -0.35 0.00 1.28 0.00 0.00 41.25 42.69 3kk6 s ASN 237 CO 0.46 -0.83 0.97 0.25 -2.04 0.00 0.00 177.10 175.92 3kk6 h LEU 238 N 2.21 0.78 -1.19 3.54 6.46 -1.95 -2.66 115.31 122.51 3kk6 h LEU 238 Ca -0.35 -0.93 0.09 0.00 -0.12 0.00 0.00 57.88 56.57 3kk6 h LEU 238 Cb 1.25 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.86 3kk6 h LEU 238 CO 0.56 1.66 0.57 -0.33 -0.62 0.00 0.00 178.44 180.28 3kk6 h GLU 239 N 0.05 0.89 -0.01 1.25 5.08 -1.98 -0.83 114.58 119.03 3kk6 h GLU 239 Ca -0.24 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 57.87 3kk6 h GLU 239 Cb 2.08 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 3kk6 h GLU 239 CO 0.25 0.59 -0.84 -0.09 -1.00 0.00 0.00 179.01 177.93 3kk6 h ARG 240 N 0.92 0.26 -0.30 2.33 2.43 -1.91 -3.30 114.38 114.82 3kk6 h ARG 240 Ca 0.40 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3kk6 h ARG 240 Cb 0.34 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3kk6 h ARG 240 CO -0.16 0.96 0.17 0.37 -1.51 0.00 0.00 179.97 179.79 3kk6 h GLN 241 N 0.15 0.34 -0.41 0.20 4.15 -0.79 -2.37 115.11 116.38 3kk6 h GLN 241 Ca -0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3kk6 h GLN 241 Cb 1.45 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 3kk6 h GLN 241 CO 0.13 0.23 0.18 1.88 -1.93 0.00 0.00 178.83 179.32 3kk6 h TYR 242 N 0.35 0.57 0.00 3.99 0.05 -1.53 -1.40 116.97 119.00 3kk6 h TYR 242 Ca 0.12 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 3kk6 h TYR 242 Cb -0.00 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 3kk6 h TYR 242 CO -0.08 0.44 -0.16 0.37 -1.05 0.00 0.00 178.16 177.68 3kk6 h GLN 243 N 0.58 0.00 0.00 4.88 5.75 -1.51 -2.39 115.11 122.42 3kk6 h GLN 243 Ca 0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3kk6 h GLN 243 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 3kk6 h GLN 243 CO -0.02 0.16 -0.86 1.28 -2.65 0.00 0.00 178.83 176.75 3kk6 n LEU 244 N -3.52 0.63 -4.86 -2.39 4.77 -0.59 -4.63 117.00 106.42 3kk6 n LEU 244 Ca -0.01 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 3kk6 n LEU 244 Cb 0.32 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3kk6 n LEU 244 CO 0.31 0.04 0.09 -0.13 -1.33 0.00 0.00 177.39 176.37 3kk6 s ARG 245 N -3.15 3.80 0.28 3.23 0.52 -0.85 -1.02 118.95 121.75 3kk6 s ARG 245 Ca 0.05 0.24 0.25 0.00 -0.52 0.00 0.00 55.73 55.75 3kk6 s ARG 245 Cb 0.15 -3.04 0.52 0.00 0.52 0.00 0.00 34.95 33.10 3kk6 s ARG 245 CO 0.77 0.58 1.60 1.25 0.02 0.00 0.00 175.30 179.53 3kk6 h LEU 246 N 3.91 0.00 1.24 2.53 5.85 -1.68 -3.39 115.31 123.77 3kk6 h LEU 246 Ca -0.50 -0.03 -0.34 0.00 0.84 0.00 0.00 57.88 57.85 3kk6 h LEU 246 Cb 1.20 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 3kk6 h LEU 246 CO 0.65 0.01 -0.35 0.49 -0.34 0.00 0.00 178.44 178.91 3kk6 n PHE 247 N -2.57 -0.22 -3.77 1.25 3.72 -1.25 -4.95 117.46 109.67 3kk6 n PHE 247 Ca 0.04 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.27 3kk6 n PHE 247 Cb 0.48 -3.05 -0.17 0.00 -0.94 0.00 0.00 39.48 35.80 3kk6 n PHE 247 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3kk6 s LYS 248 N -3.81 0.04 -1.70 -1.08 2.20 -1.26 -4.80 119.74 109.32 3kk6 s LYS 248 Ca 0.00 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3kk6 s LYS 248 Cb 0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 37.83 35.92 3kk6 s LYS 248 CO 0.00 -0.21 0.00 -0.25 -0.36 0.00 0.00 175.35 174.53 3kk6 n ASP 249 N 4.52 -5.06 -1.78 1.43 8.00 -1.26 -2.31 116.55 120.09 3kk6 n ASP 249 Ca -0.20 0.28 -0.21 0.00 0.71 0.00 0.00 54.79 55.38 3kk6 n ASP 249 Cb 0.50 -4.09 -0.07 0.00 -0.02 0.00 0.00 41.12 37.44 3kk6 n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kk6 n GLY 250 N -0.92 1.40 3.97 0.44 0.00 -1.22 -4.67 105.19 104.19 3kk6 n GLY 250 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3kk6 n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kk6 s LYS 251 N -4.04 1.45 -0.04 1.61 1.02 -0.98 -3.89 119.74 114.87 3kk6 s LYS 251 Ca 0.00 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.23 3kk6 s LYS 251 Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3kk6 s LYS 251 CO 0.00 -1.70 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.10 3kk6 s LEU 252 N -5.37 2.87 0.75 3.17 1.43 -1.26 -2.19 118.68 118.09 3kk6 s LEU 252 Ca 0.68 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.45 3kk6 s LEU 252 Cb -0.06 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 3kk6 s LEU 252 CO 0.47 0.33 0.18 0.29 0.23 0.00 0.00 176.35 177.85 3kk6 n LYS 253 N 2.13 0.14 -3.54 1.70 5.02 -0.19 -4.54 118.16 118.88 3kk6 n LYS 253 Ca -0.17 0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.09 3kk6 n LYS 253 Cb 0.52 -1.55 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3kk6 n LYS 253 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3kk6 n TYR 254 N -2.37 -1.76 -3.98 2.13 0.18 -1.26 -4.29 117.16 105.81 3kk6 n TYR 254 Ca 0.07 -1.84 -0.13 0.00 1.88 0.00 0.00 57.90 57.88 3kk6 n TYR 254 Cb 0.51 0.65 -0.14 0.00 -0.38 0.00 0.00 39.34 39.97 3kk6 n TYR 254 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3kk6 s GLN 255 N -2.39 0.16 -0.45 -3.48 0.74 -0.33 -4.40 119.66 109.52 3kk6 s GLN 255 Ca 0.20 -0.08 -0.09 0.00 0.05 0.00 0.00 55.36 55.44 3kk6 s GLN 255 Cb -0.03 -0.15 0.10 0.00 1.10 0.00 0.00 33.01 34.04 3kk6 s GLN 255 CO 0.14 0.04 0.31 -1.64 -0.55 0.00 0.00 175.29 173.59 3kk6 s MET 256 N -0.07 2.49 -0.19 1.67 -1.94 -1.26 -1.91 119.30 118.09 3kk6 s MET 256 Ca 0.01 -1.66 -0.00 0.00 -1.71 0.00 0.00 55.69 52.32 3kk6 s MET 256 Cb -0.01 -3.85 0.01 0.00 2.01 0.00 0.00 34.83 32.99 3kk6 s MET 256 CO -0.00 -1.10 -0.15 -0.51 -0.01 0.00 0.00 175.02 173.24 3kk6 s LEU 257 N 1.37 2.37 -1.37 -0.03 1.02 -1.10 -4.67 118.68 116.28 3kk6 s LEU 257 Ca 0.05 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.57 3kk6 s LEU 257 Cb -0.25 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.41 3kk6 s LEU 257 CO 0.00 -0.01 0.56 0.59 0.02 0.00 0.00 176.35 177.51 3kk6 n ASN 258 N 4.67 -5.61 -0.50 2.29 3.02 -1.26 -2.02 115.26 115.84 3kk6 n ASN 258 Ca -0.20 -0.26 -0.07 0.00 -0.03 0.00 0.00 54.58 54.02 3kk6 n ASN 258 Cb 0.50 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 3kk6 n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kk6 n GLY 259 N -1.45 0.78 3.73 7.41 0.00 -1.26 -4.98 105.19 109.41 3kk6 n GLY 259 Ca -0.10 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3kk6 n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kk6 s GLU 260 N -2.19 2.29 -0.21 1.61 0.41 -0.86 -5.12 118.70 114.63 3kk6 s GLU 260 Ca 0.00 -1.67 -0.08 0.00 -0.41 0.00 0.00 54.97 52.81 3kk6 s GLU 260 Cb 0.00 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.22 3kk6 s GLU 260 CO 0.00 0.03 0.08 0.08 -0.49 0.00 0.00 175.26 174.95 3kk6 s VAL 261 N -2.50 4.71 0.29 2.63 1.01 -1.26 -2.70 120.40 122.58 3kk6 s VAL 261 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.35 3kk6 s VAL 261 Cb -0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3kk6 s VAL 261 CO 0.22 0.40 0.17 -0.31 0.00 0.00 0.00 175.10 175.58 3kk6 s TYR 262 N 0.87 1.56 0.72 5.22 2.02 -0.80 -4.96 117.35 121.98 3kk6 s TYR 262 Ca 0.04 -1.40 -0.14 0.00 -0.37 0.00 0.00 57.07 55.20 3kk6 s TYR 262 Cb -0.14 -0.80 0.03 0.00 -0.40 0.00 0.00 41.96 40.65 3kk6 s TYR 262 CO 0.03 -0.57 1.13 -2.14 -1.57 0.00 0.00 175.55 172.43 3kk6 s PRO 263 N -3.82 2.37 0.79 -1.71 0.02 -1.26 -1.18 135.00 130.20 3kk6 s PRO 263 Ca 0.37 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 62.72 3kk6 s PRO 263 Cb 0.05 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.75 3kk6 s PRO 263 CO 0.18 -1.60 1.17 -2.14 -0.33 0.00 0.00 177.00 174.28 3kk6 s PRO 264 N -4.24 1.84 0.52 5.54 0.02 -1.26 -3.94 135.00 133.48 3kk6 s PRO 264 Ca 0.68 1.59 -0.19 0.00 0.02 0.00 0.00 61.00 63.10 3kk6 s PRO 264 Cb -0.22 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 3kk6 s PRO 264 CO 0.46 -2.03 1.04 -1.54 -0.33 0.00 0.00 177.00 174.61 3kk6 s SER 265 N -2.45 6.18 0.55 2.53 1.04 -1.26 -0.86 113.70 119.43 3kk6 s SER 265 Ca 0.70 1.88 0.22 0.00 0.48 0.00 0.00 55.95 59.23 3kk6 s SER 265 Cb -0.25 -2.55 1.51 0.00 0.10 0.00 0.00 66.02 64.83 3kk6 s SER 265 CO 0.50 -0.89 2.18 0.58 0.98 0.00 0.00 173.24 176.59 3kk6 h VAL 266 N 1.17 0.78 -0.11 5.02 2.07 -1.60 0.46 116.25 124.03 3kk6 h VAL 266 Ca -0.49 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3kk6 h VAL 266 Cb 1.22 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3kk6 h VAL 266 CO 0.59 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.81 3kk6 h GLU 267 N 0.00 -0.02 -0.12 1.57 3.07 -1.91 -0.28 114.58 116.89 3kk6 h GLU 267 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3kk6 h GLU 267 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3kk6 h GLU 267 CO -0.00 -0.01 0.04 1.05 -1.40 0.00 0.00 179.01 178.69 3kk6 h GLU 268 N -0.02 0.19 -3.21 2.33 4.11 -1.33 -3.37 114.58 113.28 3kk6 h GLU 268 Ca 0.06 -0.04 -0.63 0.00 0.07 0.00 0.00 59.36 58.82 3kk6 h GLU 268 Cb 0.10 -0.03 -0.41 0.00 0.50 0.00 0.00 28.75 28.92 3kk6 h GLU 268 CO -0.12 0.32 -0.67 0.00 0.07 0.00 0.00 179.01 178.61 3kk6 s ALA 269 N -5.42 2.91 -0.74 1.06 0.00 -0.48 -5.02 121.76 114.07 3kk6 s ALA 269 Ca -0.14 -3.06 -0.26 0.00 0.00 0.00 0.00 51.96 48.50 3kk6 s ALA 269 Cb 0.06 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 3kk6 s ALA 269 CO 0.69 -2.04 1.84 -2.14 0.00 0.00 0.00 175.76 174.11 3kk6 s PRO 270 N -0.14 2.67 0.15 0.00 0.02 -0.13 -4.37 135.00 133.21 3kk6 s PRO 270 Ca 0.18 0.18 0.06 0.00 0.02 0.00 0.00 61.00 61.44 3kk6 s PRO 270 Cb -0.24 -4.64 -0.04 0.00 0.02 0.00 0.00 34.50 29.60 3kk6 s PRO 270 CO -0.01 -2.90 -0.13 0.14 -0.33 0.00 0.00 177.00 173.77 3kk6 s VAL 271 N 9.05 1.36 0.07 3.83 -7.23 -1.26 -5.00 120.40 121.22 3kk6 s VAL 271 Ca 0.65 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 3kk6 s VAL 271 Cb -0.10 -1.78 -0.07 0.00 0.56 0.00 0.00 36.38 34.99 3kk6 s VAL 271 CO 0.12 -0.59 1.46 -0.22 -0.31 0.00 0.00 175.10 175.55 3kk6 s LEU 272 N -2.95 4.35 0.05 1.32 0.20 -1.26 -5.01 118.68 115.37 3kk6 s LEU 272 Ca 0.15 2.29 0.02 0.00 0.69 0.00 0.00 54.13 57.29 3kk6 s LEU 272 Cb -0.01 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.15 3kk6 s LEU 272 CO 0.03 -0.73 -0.08 -0.04 -0.29 0.00 0.00 176.35 175.24 3kk6 s MET 273 N 1.89 0.55 -0.64 1.98 -1.94 -1.26 -4.81 119.30 115.07 3kk6 s MET 273 Ca 0.66 -0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 53.82 3kk6 s MET 273 Cb -0.36 -0.28 0.44 0.00 2.01 0.00 0.00 34.83 36.65 3kk6 s MET 273 CO 0.29 0.04 2.03 0.72 -0.01 0.00 0.00 175.02 178.10 3kk6 n HIS 274 N 1.33 3.14 -1.08 -0.03 8.25 -1.26 -4.99 115.22 120.58 3kk6 n HIS 274 Ca -0.22 -2.93 -0.33 0.00 -0.26 0.00 0.00 57.72 53.97 3kk6 n HIS 274 Cb 0.55 -1.41 0.13 0.00 1.12 0.00 0.00 29.99 30.38 3kk6 n HIS 274 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kk6 n TYR 275 N -0.86 1.26 -0.65 4.41 4.01 -1.26 -4.80 117.16 119.27 3kk6 n TYR 275 Ca 0.61 0.41 -0.32 0.00 -0.16 0.00 0.00 57.90 58.44 3kk6 n TYR 275 Cb 0.69 -2.10 0.18 0.00 -0.31 0.00 0.00 39.34 37.80 3kk6 n TYR 275 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3kk6 n PRO 276 N -3.33 -1.67 -2.81 -0.72 -0.02 -1.26 -4.87 135.00 120.32 3kk6 n PRO 276 Ca 0.14 -0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 60.73 3kk6 n PRO 276 Cb 0.50 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 3kk6 n PRO 276 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kk6 s ARG 277 N -3.58 4.53 -0.70 -0.52 3.03 -1.26 -2.54 118.95 117.90 3kk6 s ARG 277 Ca 0.58 1.27 0.00 0.00 2.03 0.00 0.00 55.73 59.61 3kk6 s ARG 277 Cb -0.14 -3.45 0.00 0.00 -1.03 0.00 0.00 34.95 30.33 3kk6 s ARG 277 CO 0.66 -0.01 0.00 0.41 -1.13 0.00 0.00 175.30 175.23 3kk6 n GLY 278 N 2.93 0.73 3.44 3.88 0.00 -1.26 -4.93 105.19 109.99 3kk6 n GLY 278 Ca 0.04 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3kk6 n GLY 278 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kk6 n ILE 279 N -2.34 1.71 -2.52 -0.61 0.13 -1.05 -4.89 119.36 109.79 3kk6 n ILE 279 Ca -0.07 -0.50 -0.42 0.00 -1.10 0.00 0.00 62.75 60.66 3kk6 n ILE 279 Cb 0.45 -0.51 0.01 0.00 -0.84 0.00 0.00 39.64 38.74 3kk6 n ILE 279 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 3kk6 n PRO 280 N 0.62 4.18 -0.97 9.51 -0.02 -1.26 -5.02 135.00 142.03 3kk6 n PRO 280 Ca 0.11 -3.93 -0.30 0.00 -2.02 0.00 0.00 63.50 57.37 3kk6 n PRO 280 Cb 0.40 -2.72 0.16 0.00 -0.02 0.00 0.00 33.50 31.32 3kk6 n PRO 280 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kk6 s PRO 281 N -1.21 0.89 0.93 0.52 0.04 -1.26 -4.66 135.00 130.25 3kk6 s PRO 281 Ca 0.39 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 3kk6 s PRO 281 Cb 0.10 -1.75 0.15 0.00 0.04 0.00 0.00 34.50 33.04 3kk6 s PRO 281 CO 0.01 -2.55 1.09 -0.65 0.04 0.00 0.00 177.00 174.94 3kk6 s GLN 282 N -4.78 0.95 0.00 4.56 1.11 -1.26 -4.96 119.66 115.28 3kk6 s GLN 282 Ca 0.65 0.94 0.00 0.00 0.01 0.00 0.00 55.36 56.96 3kk6 s GLN 282 Cb -0.20 -1.76 0.00 0.00 -1.01 0.00 0.00 33.01 30.03 3kk6 s GLN 282 CO 0.58 -2.49 0.00 0.45 0.01 0.00 0.00 175.29 173.85 3kk6 n SER 283 N -4.07 0.00 -4.51 5.90 2.88 -1.26 -5.08 113.62 107.48 3kk6 n SER 283 Ca 0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.19 3kk6 n SER 283 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 3kk6 n SER 283 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kk6 s GLN 284 N -0.58 3.25 0.54 -1.46 -2.07 -1.26 -4.92 119.66 113.17 3kk6 s GLN 284 Ca 0.00 -0.59 -0.18 0.00 -1.82 0.00 0.00 55.36 52.78 3kk6 s GLN 284 Cb 0.00 -3.92 -0.06 0.00 -1.09 0.00 0.00 33.01 27.94 3kk6 s GLN 284 CO 0.00 -0.80 1.04 -1.64 -1.32 0.00 0.00 175.29 172.57 3kk6 s MET 285 N 2.24 3.56 -0.07 9.60 -1.94 -1.26 -2.01 119.30 129.41 3kk6 s MET 285 Ca 0.14 1.25 0.04 0.00 -1.71 0.00 0.00 55.69 55.42 3kk6 s MET 285 Cb -0.16 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.60 3kk6 s MET 285 CO 0.14 -0.62 -0.20 0.00 -0.01 0.00 0.00 175.02 174.34 3kk6 s ALA 286 N -2.27 2.40 0.00 3.03 0.00 -0.04 -4.81 121.76 120.07 3kk6 s ALA 286 Ca 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3kk6 s ALA 286 Cb -0.16 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 3kk6 s ALA 286 CO 0.30 0.42 0.00 1.33 0.00 0.00 0.00 175.76 177.81 3kk6 n VAL 287 N 2.90 0.00 -0.05 0.00 0.24 -1.26 -4.33 118.33 115.83 3kk6 n VAL 287 Ca -0.17 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 3kk6 n VAL 287 Cb 0.52 0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.79 3kk6 n VAL 287 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3kk6 h GLY 288 N 0.02 -0.01 -5.83 7.63 0.00 -1.66 -3.44 103.07 99.78 3kk6 h GLY 288 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3kk6 h GLY 288 CO 0.00 -0.00 -0.05 1.62 0.00 0.00 0.00 176.54 178.11 3kk6 s GLN 289 N -2.64 4.27 0.27 4.80 2.00 -1.13 -4.02 119.66 123.21 3kk6 s GLN 289 Ca -0.18 0.49 -0.05 0.00 -2.00 0.00 0.00 55.36 53.63 3kk6 s GLN 289 Cb -0.02 -3.51 0.06 0.00 0.80 0.00 0.00 33.01 30.35 3kk6 s GLN 289 CO 0.66 -0.03 0.34 -0.85 -0.50 0.00 0.00 175.29 174.91 3kk6 n GLU 290 N 4.33 -0.52 -2.02 1.67 0.00 -1.26 -3.66 120.64 119.18 3kk6 n GLU 290 Ca -0.05 -0.53 -0.07 0.00 0.00 0.00 0.00 57.16 56.51 3kk6 n GLU 290 Cb 0.51 -0.37 -0.01 0.00 0.00 0.00 0.00 31.44 31.56 3kk6 n GLU 290 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3kk6 n VAL 291 N -2.58 -0.21 0.35 3.84 0.24 -1.26 -4.73 118.33 113.98 3kk6 n VAL 291 Ca 0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 3kk6 n VAL 291 Cb 0.15 -0.84 -0.13 0.00 -1.47 0.00 0.00 33.84 31.55 3kk6 n VAL 291 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kk6 n PHE 292 N -2.44 0.05 1.28 6.34 3.01 -1.24 -4.06 117.46 120.40 3kk6 n PHE 292 Ca -0.07 0.01 0.14 0.00 1.01 0.00 0.00 57.45 58.54 3kk6 n PHE 292 Cb 0.44 -0.36 0.61 0.00 -0.01 0.00 0.00 39.48 40.16 3kk6 n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kk6 n GLY 293 N 1.34 -1.17 0.45 1.37 0.00 -1.26 -3.40 105.19 102.52 3kk6 n GLY 293 Ca -0.01 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3kk6 n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kk6 n LEU 294 N -1.20 1.33 -3.62 0.99 4.77 -1.26 -4.47 117.00 113.53 3kk6 n LEU 294 Ca 0.12 -0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 55.44 3kk6 n LEU 294 Cb 0.29 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3kk6 n LEU 294 CO 0.25 0.31 0.18 -0.76 -1.33 0.00 0.00 177.39 176.05 3kk6 s LEU 295 N -1.20 -1.00 0.66 2.23 1.43 -1.22 -2.80 118.68 116.78 3kk6 s LEU 295 Ca 0.22 1.35 0.40 0.00 -1.03 0.00 0.00 54.13 55.07 3kk6 s LEU 295 Cb 0.12 2.00 2.18 0.00 0.03 0.00 0.00 46.19 50.52 3kk6 s LEU 295 CO 0.16 -0.23 2.25 -0.65 0.23 0.00 0.00 176.35 178.12 3kk6 h PRO 296 N 8.05 0.00 -0.18 1.29 0.11 -1.81 -1.90 132.00 137.56 3kk6 h PRO 296 Ca -0.18 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.76 3kk6 h PRO 296 Cb 1.11 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.22 3kk6 h PRO 296 CO 0.12 0.00 -0.58 0.78 -0.21 0.00 0.00 178.00 178.10 3kk6 h GLY 297 N 0.00 0.79 2.00 -0.55 0.00 -1.95 -1.01 103.07 102.35 3kk6 h GLY 297 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 47.33 46.17 3kk6 h GLY 297 CO -0.00 0.92 -0.63 1.41 0.00 0.00 0.00 176.54 178.24 3kk6 h LEU 298 N 0.43 0.00 0.00 3.11 3.38 -1.60 -2.87 115.31 117.76 3kk6 h LEU 298 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kk6 h LEU 298 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kk6 h LEU 298 CO 0.12 0.63 -0.16 -0.03 0.09 0.00 0.00 178.44 179.10 3kk6 h MET 299 N 0.00 0.00 -0.13 1.13 4.05 -1.42 -2.33 114.93 116.23 3kk6 h MET 299 Ca -0.01 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.22 3kk6 h MET 299 Cb 1.27 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.08 3kk6 h MET 299 CO 0.08 0.00 -0.68 1.25 0.23 0.00 0.00 176.91 177.79 3kk6 h LEU 300 N 0.00 0.82 -0.21 3.39 5.85 -0.96 -2.29 115.31 121.91 3kk6 h LEU 300 Ca 0.00 -0.64 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 3kk6 h LEU 300 Cb 0.82 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3kk6 h LEU 300 CO 0.00 1.33 -0.35 1.88 -0.34 0.00 0.00 178.44 180.95 3kk6 h TYR 301 N 0.36 0.00 0.00 1.25 0.05 -1.55 -1.65 116.97 115.44 3kk6 h TYR 301 Ca -0.05 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 3kk6 h TYR 301 Cb 1.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.04 3kk6 h TYR 301 CO 0.10 0.35 -0.45 0.00 -1.05 0.00 0.00 178.16 177.11 3kk6 h ALA 302 N 1.65 1.17 0.15 3.88 0.00 -1.39 -1.89 119.26 122.82 3kk6 h ALA 302 Ca -0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 54.91 54.20 3kk6 h ALA 302 Cb 1.19 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kk6 h ALA 302 CO 0.05 0.56 -1.39 1.15 0.00 0.00 0.00 179.25 179.62 3kk6 h THR 303 N 0.00 1.34 0.19 0.00 2.02 -1.20 -2.92 112.91 112.34 3kk6 h THR 303 Ca -0.00 -2.90 -0.01 0.00 0.77 0.00 0.00 66.41 64.26 3kk6 h THR 303 Cb 0.84 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 3kk6 h THR 303 CO 0.06 0.86 -0.09 0.40 0.37 0.00 0.00 175.52 177.11 3kk6 h ILE 304 N 0.09 0.91 0.00 3.11 2.04 -1.17 -1.91 117.51 120.58 3kk6 h ILE 304 Ca -0.20 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 3kk6 h ILE 304 Cb 2.02 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3kk6 h ILE 304 CO 0.20 0.13 -0.16 -0.50 0.00 0.00 0.00 178.15 177.82 3kk6 h TRP 305 N -0.53 0.00 -0.04 1.37 4.06 -1.50 -1.74 115.95 117.58 3kk6 h TRP 305 Ca -0.03 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3kk6 h TRP 305 Cb 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.56 3kk6 h TRP 305 CO 0.02 0.16 -0.03 1.25 -3.56 0.00 0.00 178.44 176.27 3kk6 h LEU 306 N 0.00 0.10 -1.69 -4.49 5.85 -1.32 -1.40 115.31 112.36 3kk6 h LEU 306 Ca -0.00 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3kk6 h LEU 306 Cb 0.48 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3kk6 h LEU 306 CO 0.02 0.54 -0.15 0.03 -0.34 0.00 0.00 178.44 178.53 3kk6 h ARG 307 N -0.34 0.00 -0.00 1.25 3.08 -1.16 -2.49 114.38 114.71 3kk6 h ARG 307 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 3kk6 h ARG 307 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3kk6 h ARG 307 CO 0.01 0.15 -0.81 1.49 -1.07 0.00 0.00 179.97 179.74 3kk6 h GLU 308 N 0.00 0.12 -0.04 0.04 4.57 -1.10 -1.86 114.58 116.31 3kk6 h GLU 308 Ca -0.00 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3kk6 h GLU 308 Cb 0.45 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3kk6 h GLU 308 CO 0.02 0.87 -0.26 1.25 -1.18 0.00 0.00 179.01 179.71 3kk6 h HIS 309 N 0.07 0.35 -0.18 0.92 2.76 -0.83 -2.52 115.15 115.72 3kk6 h HIS 309 Ca -0.03 -0.16 -0.09 0.00 -2.20 0.00 0.00 60.37 57.90 3kk6 h HIS 309 Cb 1.42 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 3kk6 h HIS 309 CO 0.02 0.89 -0.27 -0.91 -1.30 0.00 0.00 177.93 176.36 3kk6 h ASN 310 N -0.30 0.33 -0.41 3.26 2.35 -1.53 -1.77 115.58 117.51 3kk6 h ASN 310 Ca -0.02 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 3kk6 h ASN 310 Cb 0.93 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 3kk6 h ASN 310 CO 0.05 0.60 -0.24 -0.09 -1.65 0.00 0.00 177.43 176.10 3kk6 h ARG 311 N 0.29 0.93 -0.09 0.81 2.43 -1.38 -2.43 114.38 114.93 3kk6 h ARG 311 Ca 0.04 -0.40 -0.07 0.00 -0.81 0.00 0.00 59.98 58.74 3kk6 h ARG 311 Cb 0.63 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3kk6 h ARG 311 CO 0.05 1.06 -0.25 0.28 -1.51 0.00 0.00 179.97 179.60 3kk6 h VAL 312 N 0.80 1.22 0.00 0.20 2.07 -1.12 -2.16 116.25 117.26 3kk6 h VAL 312 Ca 0.10 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 3kk6 h VAL 312 Cb 0.81 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3kk6 h VAL 312 CO 0.07 0.31 -0.32 0.00 0.02 0.00 0.00 177.57 177.65 3kk6 h ASP 314 N 0.00 0.04 0.95 0.00 3.32 -0.94 -1.46 116.42 118.33 3kk6 h ASP 314 Ca -0.00 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 3kk6 h ASP 314 Cb 0.76 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3kk6 h ASP 314 CO 0.04 0.88 -0.87 -0.07 -1.72 0.00 0.00 179.24 177.50 3kk6 h LEU 315 N 0.02 0.00 0.00 1.55 3.38 -1.09 -3.11 115.31 116.06 3kk6 h LEU 315 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3kk6 h LEU 315 Cb 1.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 3kk6 h LEU 315 CO 0.12 0.87 -1.13 -0.07 0.09 0.00 0.00 178.44 178.31 3kk6 h LEU 316 N 0.00 0.00 -0.20 1.67 3.38 -1.22 -3.16 115.31 115.78 3kk6 h LEU 316 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3kk6 h LEU 316 Cb 1.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.34 3kk6 h LEU 316 CO 0.11 0.68 -0.75 0.11 0.09 0.00 0.00 178.44 178.68 3kk6 h LYS 317 N 0.00 0.77 -0.56 1.13 1.57 -1.33 -1.22 116.57 116.93 3kk6 h LYS 317 Ca -0.11 -0.61 -0.10 0.00 -1.87 0.00 0.00 60.65 57.95 3kk6 h LYS 317 Cb 1.62 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.03 3kk6 h LYS 317 CO 0.07 1.22 -0.06 0.00 -0.57 0.00 0.00 179.45 180.11 3kk6 h ALA 318 N 0.61 0.84 -0.01 3.86 0.00 -1.65 -2.66 119.26 120.24 3kk6 h ALA 318 Ca -0.04 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3kk6 h ALA 318 Cb 1.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3kk6 h ALA 318 CO 0.15 0.66 -0.69 1.49 0.00 0.00 0.00 179.25 180.87 3kk6 h GLU 319 N 0.91 0.05 -2.60 0.00 4.57 -1.52 -3.38 114.58 112.61 3kk6 h GLU 319 Ca 0.15 -0.04 -0.60 0.00 -1.18 0.00 0.00 59.36 57.69 3kk6 h GLU 319 Cb 0.61 0.01 -0.39 0.00 -0.16 0.00 0.00 28.75 28.82 3kk6 h GLU 319 CO 0.04 0.72 -0.86 -1.01 -1.18 0.00 0.00 179.01 176.72 3kk6 s HIS 320 N -3.49 1.48 0.45 0.92 3.76 -0.47 -4.95 115.29 113.00 3kk6 s HIS 320 Ca -0.02 -2.33 0.28 0.00 -0.15 0.00 0.00 55.06 52.84 3kk6 s HIS 320 Cb 0.12 -1.30 1.53 0.00 1.11 0.00 0.00 32.58 34.04 3kk6 s HIS 320 CO 0.78 -0.78 2.11 -1.35 -0.85 0.00 0.00 174.74 174.65 3kk6 h PRO 321 N 6.05 0.00 0.00 8.40 0.11 -1.68 -2.69 132.00 142.20 3kk6 h PRO 321 Ca 0.17 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 3kk6 h PRO 321 Cb 0.90 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 3kk6 h PRO 321 CO 0.41 0.09 -0.85 1.79 -0.21 0.00 0.00 178.00 179.23 3kk6 h THR 322 N 0.00 1.49 -3.38 -1.15 1.35 -1.92 -3.46 112.91 105.83 3kk6 h THR 322 Ca -0.00 -3.05 -0.57 0.00 -0.55 0.00 0.00 66.41 62.24 3kk6 h THR 322 Cb 0.26 2.70 0.16 0.00 -1.73 0.00 0.00 68.15 69.54 3kk6 h THR 322 CO 0.01 0.84 0.06 0.79 -0.25 0.00 0.00 175.52 176.97 3kk6 n TRP 323 N -3.34 0.69 -2.79 4.73 7.02 -1.01 -5.01 117.44 117.72 3kk6 n TRP 323 Ca 0.00 0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.95 3kk6 n TRP 323 Cb 0.87 -2.13 0.00 0.00 -2.42 0.00 0.00 31.31 27.63 3kk6 n TRP 323 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kk6 n GLY 324 N 1.33 1.78 0.12 6.99 0.00 -1.26 -4.95 105.19 109.20 3kk6 n GLY 324 Ca 0.12 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 3kk6 n GLY 324 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3kk6 h ASP 325 N 0.00 0.30 -0.63 1.61 3.58 -1.94 -2.74 116.42 116.60 3kk6 h ASP 325 Ca 0.00 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 3kk6 h ASP 325 Cb 0.00 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3kk6 h ASP 325 CO 0.00 0.62 0.29 -0.08 -2.88 0.00 0.00 179.24 177.20 3kk6 h GLU 326 N -0.02 0.91 0.00 0.28 4.57 -1.96 -2.24 114.58 116.11 3kk6 h GLU 326 Ca 0.04 -0.14 -0.19 0.00 -1.18 0.00 0.00 59.36 57.89 3kk6 h GLU 326 Cb 0.50 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3kk6 h GLU 326 CO 0.02 0.73 -0.85 0.37 -1.18 0.00 0.00 179.01 178.11 3kk6 h GLN 327 N 0.86 0.13 -0.04 1.92 4.15 -1.97 -2.03 115.11 118.13 3kk6 h GLN 327 Ca 0.21 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3kk6 h GLN 327 Cb 0.13 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3kk6 h GLN 327 CO -0.03 0.90 -0.45 -0.07 -1.93 0.00 0.00 178.83 177.25 3kk6 h LEU 328 N 0.07 0.11 0.00 -2.39 3.38 -1.30 -2.46 115.31 112.71 3kk6 h LEU 328 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kk6 h LEU 328 Cb 1.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 3kk6 h LEU 328 CO 0.12 0.55 -0.16 0.15 0.09 0.00 0.00 178.44 179.19 3kk6 h PHE 329 N 0.08 0.00 0.00 1.13 3.57 -1.34 -2.93 116.94 117.45 3kk6 h PHE 329 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3kk6 h PHE 329 Cb 0.84 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 3kk6 h PHE 329 CO 0.01 0.66 -0.05 0.37 -2.23 0.00 0.00 178.31 177.06 3kk6 h GLN 330 N -1.00 0.00 0.14 1.11 5.75 -1.46 -0.95 115.11 118.69 3kk6 h GLN 330 Ca -0.04 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.27 3kk6 h GLN 330 Cb 0.67 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.24 3kk6 h GLN 330 CO -0.02 0.05 -0.86 1.15 -2.65 0.00 0.00 178.83 176.50 3kk6 h THR 331 N 0.00 1.47 0.00 2.39 2.02 -1.58 -3.20 112.91 114.01 3kk6 h THR 331 Ca -0.00 -2.52 -0.01 0.00 0.77 0.00 0.00 66.41 64.65 3kk6 h THR 331 Cb 0.40 3.16 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 3kk6 h THR 331 CO 0.01 0.71 -0.04 0.00 0.37 0.00 0.00 175.52 176.57 3kk6 h ALA 332 N 0.06 1.33 -0.15 6.16 0.00 -1.21 -1.85 119.26 123.61 3kk6 h ALA 332 Ca -0.16 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 3kk6 h ALA 332 Cb 1.65 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 3kk6 h ALA 332 CO 0.14 0.05 -0.69 -0.09 0.00 0.00 0.00 179.25 178.67 3kk6 h ARG 333 N 0.00 0.60 0.00 0.00 2.43 -1.24 -2.35 114.38 113.82 3kk6 h ARG 333 Ca -0.00 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3kk6 h ARG 333 Cb 0.14 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3kk6 h ARG 333 CO 0.01 1.07 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.98 3kk6 h LEU 334 N 0.43 0.00 -0.48 3.80 3.38 -1.35 -2.15 115.31 118.94 3kk6 h LEU 334 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3kk6 h LEU 334 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3kk6 h LEU 334 CO 0.13 0.49 -0.65 0.40 0.09 0.00 0.00 178.44 178.90 3kk6 h ILE 335 N 0.00 1.36 -0.09 1.22 2.04 -1.26 -2.21 117.51 118.57 3kk6 h ILE 335 Ca -0.00 -2.01 -0.23 0.00 1.00 0.00 0.00 64.86 63.62 3kk6 h ILE 335 Cb 0.99 1.99 0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3kk6 h ILE 335 CO 0.06 0.61 -0.85 -0.07 0.00 0.00 0.00 178.15 177.90 3kk6 h LEU 336 N 0.30 0.83 -1.63 1.44 4.07 -1.33 -2.33 115.31 116.66 3kk6 h LEU 336 Ca -0.02 -0.58 -0.02 0.00 0.08 0.00 0.00 57.88 57.34 3kk6 h LEU 336 Cb 1.21 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 3kk6 h LEU 336 CO 0.11 1.38 0.02 0.40 -1.08 0.00 0.00 178.44 179.27 3kk6 h ILE 337 N 0.44 1.11 -0.08 1.22 2.04 -1.34 -0.86 117.51 120.03 3kk6 h ILE 337 Ca -0.07 -0.38 -0.23 0.00 1.00 0.00 0.00 64.86 65.17 3kk6 h ILE 337 Cb 1.48 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3kk6 h ILE 337 CO 0.17 0.13 -0.85 1.23 0.00 0.00 0.00 178.15 178.83 3kk6 h GLY 338 N 0.47 0.80 2.00 5.37 0.00 -1.33 -3.10 103.07 107.28 3kk6 h GLY 338 Ca 0.06 -1.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.09 3kk6 h GLY 338 CO -0.00 1.10 -0.30 0.83 0.00 0.00 0.00 176.54 178.17 3kk6 h GLU 339 N 0.42 0.00 0.20 4.80 5.08 -0.94 -2.35 114.58 121.80 3kk6 h GLU 339 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3kk6 h GLU 339 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3kk6 h GLU 339 CO 0.17 0.30 -0.10 1.15 -1.00 0.00 0.00 179.01 179.54 3kk6 h THR 340 N 0.00 0.89 0.00 1.13 2.02 -1.15 -2.23 112.91 113.57 3kk6 h THR 340 Ca -0.00 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 3kk6 h THR 340 Cb 0.57 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3kk6 h THR 340 CO 0.04 0.15 -0.28 0.40 0.37 0.00 0.00 175.52 176.20 3kk6 h ILE 341 N -0.63 1.17 -0.53 3.11 2.04 -1.50 0.20 117.51 121.37 3kk6 h ILE 341 Ca -0.03 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 3kk6 h ILE 341 Cb 0.46 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3kk6 h ILE 341 CO 0.05 0.27 -0.10 0.50 0.00 0.00 0.00 178.15 178.87 3kk6 h LYS 342 N 0.00 0.98 0.00 2.37 1.63 -1.35 -2.33 116.57 117.87 3kk6 h LYS 342 Ca -0.00 -0.35 -0.04 0.00 -0.85 0.00 0.00 60.65 59.41 3kk6 h LYS 342 Cb 0.50 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3kk6 h LYS 342 CO 0.04 1.02 -0.53 0.82 -3.45 0.00 0.00 179.45 177.35 3kk6 h ILE 343 N 0.88 0.24 0.00 2.00 2.04 -0.95 -2.91 117.51 118.81 3kk6 h ILE 343 Ca 0.14 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 3kk6 h ILE 343 Cb 0.65 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3kk6 h ILE 343 CO 0.04 0.14 -0.44 0.58 0.00 0.00 0.00 178.15 178.47 3kk6 h VAL 344 N 0.00 0.77 0.00 1.67 2.07 -0.78 0.19 116.25 120.16 3kk6 h VAL 344 Ca -0.02 -2.05 -0.38 0.00 0.82 0.00 0.00 66.70 65.07 3kk6 h VAL 344 Cb 1.15 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 3kk6 h VAL 344 CO 0.02 0.43 -2.22 -0.38 0.02 0.00 0.00 177.57 175.44 3kk6 n ILE 345 N -3.23 1.52 1.50 4.57 5.41 -0.89 -1.74 119.36 126.50 3kk6 n ILE 345 Ca 0.02 -0.28 0.14 0.00 1.00 0.00 0.00 62.75 63.63 3kk6 n ILE 345 Cb 0.70 -1.96 0.60 0.00 -0.71 0.00 0.00 39.64 38.27 3kk6 n ILE 345 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kk6 n GLU 346 N -4.30 1.03 0.01 0.38 1.02 -1.10 -3.76 120.64 113.92 3kk6 n GLU 346 Ca -0.47 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 3kk6 n GLU 346 Cb 0.82 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 3kk6 n GLU 346 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kk6 n GLU 347 N -0.60 0.00 -0.08 3.49 2.13 -1.07 -4.68 120.64 119.83 3kk6 n GLU 347 Ca 0.17 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.87 3kk6 n GLU 347 Cb 0.28 -0.16 -0.05 0.00 0.27 0.00 0.00 31.44 31.78 3kk6 n GLU 347 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3kk6 h TYR 348 N 0.00 0.51 -0.00 4.31 3.20 -0.68 -3.03 116.97 121.28 3kk6 h TYR 348 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3kk6 h TYR 348 Cb 0.30 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3kk6 h TYR 348 CO 0.00 0.72 -0.23 0.28 -1.64 0.00 0.00 178.16 177.29 3kk6 n VAL 349 N -4.55 0.00 -0.06 1.81 0.31 -0.71 -3.01 118.33 112.12 3kk6 n VAL 349 Ca -0.05 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.13 3kk6 n VAL 349 Cb 0.32 -0.05 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 3kk6 n VAL 349 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3kk6 h GLN 350 N 0.26 0.41 -0.41 5.55 5.75 -1.63 -2.40 115.11 122.64 3kk6 h GLN 350 Ca 0.00 -0.21 -0.12 0.00 -0.15 0.00 0.00 58.65 58.17 3kk6 h GLN 350 Cb 0.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3kk6 h GLN 350 CO 0.00 0.76 -0.22 0.37 -2.65 0.00 0.00 178.83 177.09 3kk6 h GLN 351 N 0.07 0.87 -0.25 1.69 5.75 -1.53 -0.71 115.11 121.02 3kk6 h GLN 351 Ca 0.03 -0.39 -0.14 0.00 -0.15 0.00 0.00 58.65 57.99 3kk6 h GLN 351 Cb 0.67 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 3kk6 h GLN 351 CO 0.04 1.04 -0.44 1.25 -2.65 0.00 0.00 178.83 178.07 3kk6 h LEU 352 N 0.69 0.66 0.15 -2.39 5.85 -1.60 -3.21 115.31 115.46 3kk6 h LEU 352 Ca 0.09 -0.31 -0.26 0.00 0.84 0.00 0.00 57.88 58.24 3kk6 h LEU 352 Cb 0.79 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.65 3kk6 h LEU 352 CO 0.06 1.01 -1.22 0.77 -0.34 0.00 0.00 178.44 178.73 3kk6 h SER 353 N 0.50 0.51 -0.75 1.25 4.64 -1.46 -3.44 113.55 114.79 3kk6 h SER 353 Ca 0.03 -0.91 -0.26 0.00 -0.47 0.00 0.00 61.79 60.18 3kk6 h SER 353 Cb 0.97 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 62.80 3kk6 h SER 353 CO 0.09 1.56 -0.25 0.61 -0.87 0.00 0.00 176.83 177.97 3kk6 n GLY 354 N 1.72 1.20 3.81 -0.77 0.00 -0.27 -4.98 105.19 105.90 3kk6 n GLY 354 Ca -0.19 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3kk6 n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kk6 s TYR 355 N -2.50 3.09 -1.00 1.61 2.02 -1.26 -4.76 117.35 114.55 3kk6 s TYR 355 Ca 0.00 1.56 0.28 0.00 -0.37 0.00 0.00 57.07 58.54 3kk6 s TYR 355 Cb 0.00 -2.99 1.11 0.00 -0.40 0.00 0.00 41.96 39.67 3kk6 s TYR 355 CO 0.00 -0.72 1.84 1.19 -1.57 0.00 0.00 175.55 176.29 3kk6 n PHE 356 N -1.15 0.00 -2.75 2.71 3.72 -0.65 -4.73 117.46 114.62 3kk6 n PHE 356 Ca 0.09 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.06 3kk6 n PHE 356 Cb 0.53 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3kk6 n PHE 356 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3kk6 s LEU 357 N -3.01 3.96 -0.42 4.37 2.96 -1.26 -4.85 118.68 120.43 3kk6 s LEU 357 Ca 0.13 0.74 -0.27 0.00 -0.22 0.00 0.00 54.13 54.51 3kk6 s LEU 357 Cb 0.19 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 3kk6 s LEU 357 CO 0.56 -0.86 2.00 -1.10 -1.32 0.00 0.00 176.35 175.63 3kk6 s GLN 358 N 3.54 2.87 0.33 1.98 -0.21 -1.26 -4.94 119.66 121.97 3kk6 s GLN 358 Ca 0.41 1.31 -0.29 0.00 0.02 0.00 0.00 55.36 56.80 3kk6 s GLN 358 Cb -0.12 -4.35 -0.11 0.00 1.00 0.00 0.00 33.01 29.43 3kk6 s GLN 358 CO 0.18 -2.41 1.56 -0.51 -2.12 0.00 0.00 175.29 171.99 3kk6 s LEU 359 N 8.75 4.33 -0.06 2.90 1.43 -1.26 -5.00 118.68 129.76 3kk6 s LEU 359 Ca 0.83 3.01 0.01 0.00 -1.03 0.00 0.00 54.13 56.96 3kk6 s LEU 359 Cb -0.21 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.38 3kk6 s LEU 359 CO 0.29 -0.91 -0.09 -0.75 0.23 0.00 0.00 176.35 175.12 3kk6 s LYS 360 N -1.17 1.38 -0.51 1.70 2.20 -1.26 -4.19 119.74 117.90 3kk6 s LYS 360 Ca 0.59 -0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 55.70 3kk6 s LYS 360 Cb -0.48 -1.24 0.04 0.00 -1.51 0.00 0.00 37.83 34.64 3kk6 s LYS 360 CO 0.55 -0.05 0.76 0.12 -0.36 0.00 0.00 175.35 176.37 3kk6 s PHE 361 N 0.91 2.95 -0.27 4.03 5.36 -1.26 -4.95 117.98 124.75 3kk6 s PHE 361 Ca -0.11 -0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 55.67 3kk6 s PHE 361 Cb -0.15 -3.72 0.13 0.00 -0.34 0.00 0.00 43.02 38.94 3kk6 s PHE 361 CO 0.01 -1.12 0.31 0.34 -1.46 0.00 0.00 175.22 173.30 3kk6 s ASP 362 N 2.58 1.26 0.62 6.13 2.15 -1.26 -5.02 116.67 123.14 3kk6 s ASP 362 Ca 0.24 -0.50 0.33 0.00 0.43 0.00 0.00 52.55 53.04 3kk6 s ASP 362 Cb -0.15 0.66 1.85 0.00 -0.30 0.00 0.00 42.92 44.98 3kk6 s ASP 362 CO 0.17 -0.36 2.14 -0.65 -0.17 0.00 0.00 175.17 176.29 3kk6 h PRO 363 N 8.24 0.00 0.00 4.34 0.11 -1.92 -2.06 132.00 140.71 3kk6 h PRO 363 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kk6 h PRO 363 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kk6 h PRO 363 CO 0.31 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.49 3kk6 n GLU 364 N -3.44 0.28 0.08 1.05 1.02 -1.26 -2.80 120.64 115.57 3kk6 n GLU 364 Ca -0.00 0.10 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 3kk6 n GLU 364 Cb 0.27 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.29 3kk6 n GLU 364 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3kk6 h LEU 365 N 0.00 0.30 -3.20 -4.62 3.38 -1.80 -3.02 115.31 106.35 3kk6 h LEU 365 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kk6 h LEU 365 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kk6 h LEU 365 CO 0.00 0.84 0.00 0.18 0.09 0.00 0.00 178.44 179.55 3kk6 n LEU 366 N -3.87 4.71 0.24 1.67 4.32 -1.12 -4.24 117.00 118.71 3kk6 n LEU 366 Ca -0.03 -2.56 0.13 0.00 -0.02 0.00 0.00 56.01 53.54 3kk6 n LEU 366 Cb 0.63 -0.57 0.49 0.00 -1.62 0.00 0.00 43.42 42.35 3kk6 n LEU 366 CO 0.45 0.77 0.87 -0.26 -1.22 0.00 0.00 177.39 177.99 3kk6 h PHE 367 N 3.69 0.00 -0.41 -1.77 -1.00 -1.61 -2.64 116.94 113.20 3kk6 h PHE 367 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 3kk6 h PHE 367 Cb 1.49 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.95 3kk6 h PHE 367 CO 0.75 0.11 0.03 0.41 -1.61 0.00 0.00 178.31 178.01 3kk6 n GLY 368 N 0.30 4.54 3.28 -1.45 0.00 -1.26 -5.00 105.19 105.60 3kk6 n GLY 368 Ca 0.01 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 3kk6 n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk6 s ALA 369 N -3.12 1.68 -1.13 4.61 0.00 -0.99 -5.07 121.76 117.74 3kk6 s ALA 369 Ca 0.46 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 3kk6 s ALA 369 Cb 0.40 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.51 3kk6 s ALA 369 CO 0.04 0.15 1.46 -1.14 0.00 0.00 0.00 175.76 176.27 3kk6 s GLN 370 N -2.74 3.84 -0.03 0.00 0.74 -1.26 -4.96 119.66 115.25 3kk6 s GLN 370 Ca 0.12 -1.88 0.05 0.00 0.05 0.00 0.00 55.36 53.69 3kk6 s GLN 370 Cb -0.05 -5.24 -0.01 0.00 1.10 0.00 0.00 33.01 28.81 3kk6 s GLN 370 CO 0.04 -2.02 -0.17 0.12 -0.55 0.00 0.00 175.29 172.71 3kk6 s PHE 371 N 3.40 1.65 -0.16 1.67 5.36 -1.26 -5.10 117.98 123.54 3kk6 s PHE 371 Ca 0.45 -0.39 -0.17 0.00 -0.96 0.00 0.00 56.93 55.86 3kk6 s PHE 371 Cb -0.01 -1.09 -0.04 0.00 -0.34 0.00 0.00 43.02 41.55 3kk6 s PHE 371 CO -0.02 -0.09 0.42 -0.65 -1.46 0.00 0.00 175.22 173.42 3kk6 s GLN 372 N -0.20 4.26 -0.79 10.12 -1.52 -1.26 -4.98 119.66 125.28 3kk6 s GLN 372 Ca 0.02 0.30 -0.05 0.00 -1.95 0.00 0.00 55.36 53.68 3kk6 s GLN 372 Cb -0.09 -3.48 0.08 0.00 -0.22 0.00 0.00 33.01 29.30 3kk6 s GLN 372 CO 0.01 0.07 2.64 0.66 -0.25 0.00 0.00 175.29 178.42 3kk6 n TYR 373 N 4.04 1.96 -4.18 0.91 4.01 -1.26 -4.69 117.16 117.96 3kk6 n TYR 373 Ca -0.08 -2.29 -0.14 0.00 -0.16 0.00 0.00 57.90 55.23 3kk6 n TYR 373 Cb 0.51 -1.57 -0.11 0.00 -0.31 0.00 0.00 39.34 37.87 3kk6 n TYR 373 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3kk6 s ARG 374 N -1.44 0.85 -0.10 -0.72 3.52 -1.14 -4.47 118.95 115.45 3kk6 s ARG 374 Ca 0.57 -1.19 -0.13 0.00 -0.13 0.00 0.00 55.73 54.85 3kk6 s ARG 374 Cb 0.30 -0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.23 3kk6 s ARG 374 CO -0.17 0.07 0.35 1.21 -0.81 0.00 0.00 175.30 175.95 3kk6 s ASN 375 N -2.54 -0.33 -0.09 -2.12 2.47 -1.26 -4.80 114.94 106.27 3kk6 s ASN 375 Ca 0.07 0.55 -0.02 0.00 0.42 0.00 0.00 52.86 53.87 3kk6 s ASN 375 Cb -0.02 0.62 0.04 0.00 -1.45 0.00 0.00 41.25 40.44 3kk6 s ASN 375 CO -0.00 -0.22 0.04 -0.60 -3.72 0.00 0.00 177.10 172.60 3kk6 s ARG 376 N -0.25 0.26 0.10 0.43 6.06 -1.26 -4.85 118.95 119.44 3kk6 s ARG 376 Ca -0.04 0.12 -0.31 0.00 -2.50 0.00 0.00 55.73 53.01 3kk6 s ARG 376 Cb -0.03 -1.06 -0.10 0.00 0.06 0.00 0.00 34.95 33.82 3kk6 s ARG 376 CO 0.02 -0.41 1.85 0.42 -2.50 0.00 0.00 175.30 174.67 3kk6 s ILE 377 N 2.06 2.66 0.65 4.11 -1.09 -1.26 -4.77 121.20 123.56 3kk6 s ILE 377 Ca 0.04 0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.45 3kk6 s ILE 377 Cb -0.13 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.72 3kk6 s ILE 377 CO -0.05 -0.00 0.99 0.00 -1.23 0.00 0.00 174.94 174.65 3kk6 s ALA 378 N 3.09 3.12 -0.53 9.38 0.00 -1.26 -1.87 121.76 133.69 3kk6 s ALA 378 Ca 0.82 -0.59 0.24 0.00 0.00 0.00 0.00 51.96 52.43 3kk6 s ALA 378 Cb -0.45 -2.76 0.27 0.00 0.00 0.00 0.00 23.12 20.18 3kk6 s ALA 378 CO 0.37 -1.00 1.28 0.00 0.00 0.00 0.00 175.76 176.41 3kk6 h MET 379 N -0.41 0.00 0.00 0.00 -0.00 -1.28 -2.96 114.93 110.28 3kk6 h MET 379 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 3kk6 h MET 379 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 3kk6 h MET 379 CO 0.62 0.00 -0.86 1.05 -0.00 0.00 0.00 176.91 177.72 3kk6 h GLU 380 N 0.00 0.00 0.09 -0.10 9.09 -1.94 -2.15 114.58 119.57 3kk6 h GLU 380 Ca 0.00 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.13 3kk6 h GLU 380 Cb 0.82 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.95 3kk6 h GLU 380 CO 0.00 0.00 -1.14 0.35 0.05 0.00 0.00 179.01 178.27 3kk6 h PHE 381 N 0.00 0.97 -0.27 2.06 3.57 -1.95 -2.15 116.94 119.17 3kk6 h PHE 381 Ca 0.00 -0.59 -0.06 0.00 3.53 0.00 0.00 57.97 60.85 3kk6 h PHE 381 Cb 0.91 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3kk6 h PHE 381 CO 0.00 1.43 -0.09 -0.97 -2.23 0.00 0.00 178.31 176.45 3kk6 h ASN 382 N 0.24 0.42 0.15 0.41 -1.24 -1.61 -2.72 115.58 111.24 3kk6 h ASN 382 Ca -0.17 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 3kk6 h ASN 382 Cb 1.82 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.76 3kk6 h ASN 382 CO 0.22 0.56 -0.07 -0.61 -1.29 0.00 0.00 177.43 176.23 3kk6 h GLN 383 N 0.42 -0.20 0.00 6.67 5.75 -1.33 -3.29 115.11 123.13 3kk6 h GLN 383 Ca 0.08 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3kk6 h GLN 383 Cb 0.42 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.02 3kk6 h GLN 383 CO 0.02 0.17 0.00 1.37 -2.65 0.00 0.00 178.83 177.74 3kk6 h LEU 384 N -0.61 0.00 0.00 -2.39 8.10 -1.44 -3.21 115.31 115.77 3kk6 h LEU 384 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 3kk6 h LEU 384 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 3kk6 h LEU 384 CO 0.03 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.36 3kk6 n TYR 385 N -2.75 0.00 -2.18 0.17 4.19 -1.03 -4.47 117.16 111.09 3kk6 n TYR 385 Ca 0.05 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.87 3kk6 n TYR 385 Cb 0.48 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.29 3kk6 n TYR 385 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 3kk6 n HIS 386 N -0.77 3.71 -2.66 2.98 8.25 -1.21 -4.84 115.22 120.68 3kk6 n HIS 386 Ca 0.12 -2.39 -0.43 0.00 -0.26 0.00 0.00 57.72 54.77 3kk6 n HIS 386 Cb 0.06 -2.54 0.01 0.00 1.12 0.00 0.00 29.99 28.64 3kk6 n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3kk6 n TRP 387 N 9.63 2.54 0.22 4.41 8.01 -1.26 -4.70 117.44 136.29 3kk6 n TRP 387 Ca 0.48 -2.66 0.11 0.00 -1.31 0.00 0.00 57.50 54.12 3kk6 n TRP 387 Cb 0.45 -1.56 0.27 0.00 -2.01 0.00 0.00 31.31 28.45 3kk6 n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3kk6 h HIS 388 N 5.46 0.00 0.00 -5.99 3.86 -1.95 -3.11 115.15 113.42 3kk6 h HIS 388 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3kk6 h HIS 388 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3kk6 h HIS 388 CO 1.16 0.10 0.07 -1.35 0.86 0.00 0.00 177.93 178.76 3kk6 h PRO 389 N 0.00 0.00 0.00 2.45 0.11 -1.84 -1.91 132.00 130.81 3kk6 h PRO 389 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3kk6 h PRO 389 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3kk6 h PRO 389 CO 0.01 0.00 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.52 3kk6 h LEU 390 N 0.00 0.00 -9.63 2.35 3.38 -1.59 -3.27 115.31 106.55 3kk6 h LEU 390 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3kk6 h LEU 390 Cb 0.14 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kk6 h LEU 390 CO 0.00 0.21 0.59 -0.04 0.09 0.00 0.00 178.44 179.28 3kk6 s MET 391 N -4.40 4.45 0.00 1.13 -1.94 -0.72 -1.77 119.30 116.06 3kk6 s MET 391 Ca -0.03 1.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.85 3kk6 s MET 391 Cb 0.15 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.74 3kk6 s MET 391 CO 0.67 -0.17 0.00 -2.30 -0.01 0.00 0.00 175.02 173.21 3kk6 n PRO 392 N 2.86 0.10 0.10 2.03 -0.02 -1.26 -4.66 135.00 134.15 3kk6 n PRO 392 Ca 0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.38 3kk6 n PRO 392 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.79 3kk6 n PRO 392 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kk6 h ASP 393 N -0.18 0.40 0.00 2.55 3.32 -1.97 -3.46 116.42 117.08 3kk6 h ASP 393 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3kk6 h ASP 393 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kk6 h ASP 393 CO 0.00 1.34 0.00 -1.54 -1.72 0.00 0.00 179.24 177.32 3kk6 n SER 394 N -3.51 0.00 -3.47 6.45 3.41 -1.26 -4.61 113.62 110.62 3kk6 n SER 394 Ca -0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.31 3kk6 n SER 394 Cb 1.02 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.85 3kk6 n SER 394 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kk6 s PHE 395 N -1.33 -0.16 0.27 7.33 0.08 -0.62 -5.01 117.98 118.54 3kk6 s PHE 395 Ca 0.00 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 3kk6 s PHE 395 Cb 0.00 -0.58 -0.09 0.00 -0.57 0.00 0.00 43.02 41.78 3kk6 s PHE 395 CO 0.00 -0.80 0.98 0.50 -0.10 0.00 0.00 175.22 175.80 3kk6 s ARG 396 N 2.27 4.72 -0.40 0.44 3.52 -1.26 -2.41 118.95 125.81 3kk6 s ARG 396 Ca 0.08 1.53 0.06 0.00 -0.13 0.00 0.00 55.73 57.27 3kk6 s ARG 396 Cb -0.15 -3.13 0.20 0.00 -1.56 0.00 0.00 34.95 30.32 3kk6 s ARG 396 CO -0.28 0.37 0.42 0.28 -0.81 0.00 0.00 175.30 175.28 3kk6 n VAL 397 N 1.16 -0.99 0.00 7.11 0.31 -0.65 -4.76 118.33 120.51 3kk6 n VAL 397 Ca -0.01 -3.59 0.00 0.00 -0.01 0.00 0.00 64.34 60.73 3kk6 n VAL 397 Cb 0.47 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 3kk6 n VAL 397 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kk6 n GLY 398 N 2.28 2.21 0.17 2.92 0.00 -1.26 -3.02 105.19 108.49 3kk6 n GLY 398 Ca 0.26 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 3kk6 n GLY 398 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kk6 h PRO 399 N 0.00 0.52 -6.82 1.61 0.11 -2.03 -3.48 132.00 121.91 3kk6 h PRO 399 Ca 0.00 -0.37 -0.49 0.00 0.11 0.00 0.00 66.00 65.24 3kk6 h PRO 399 Cb 0.00 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3kk6 h PRO 399 CO 0.00 0.99 0.12 -1.14 -0.21 0.00 0.00 178.00 177.76 3kk6 s GLN 400 N -3.87 3.82 -0.09 1.05 2.00 -1.17 -5.09 119.66 116.31 3kk6 s GLN 400 Ca -0.13 0.51 -0.01 0.00 -2.00 0.00 0.00 55.36 53.74 3kk6 s GLN 400 Cb 0.06 -2.40 0.03 0.00 0.80 0.00 0.00 33.01 31.50 3kk6 s GLN 400 CO 0.81 -0.00 -0.04 0.34 -0.50 0.00 0.00 175.29 175.90 3kk6 s ASP 401 N -2.98 1.88 -0.04 6.67 2.15 -1.26 -1.63 116.67 121.46 3kk6 s ASP 401 Ca 0.52 -0.20 -0.01 0.00 0.43 0.00 0.00 52.55 53.29 3kk6 s ASP 401 Cb -0.10 -0.66 -0.04 0.00 -0.30 0.00 0.00 42.92 41.82 3kk6 s ASP 401 CO 0.29 -0.15 0.03 -0.31 -0.17 0.00 0.00 175.17 174.86 3kk6 s TYR 402 N 1.78 3.20 0.38 -5.34 2.02 -1.01 -4.99 117.35 113.38 3kk6 s TYR 402 Ca 0.04 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 3kk6 s TYR 402 Cb -0.13 -1.75 0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3kk6 s TYR 402 CO -0.07 0.51 0.52 -1.13 -1.57 0.00 0.00 175.55 173.81 3kk6 n SER 403 N 1.68 0.74 0.07 2.29 3.41 -1.26 -1.59 113.62 118.96 3kk6 n SER 403 Ca -0.16 -1.61 0.03 0.00 -0.26 0.00 0.00 58.87 56.87 3kk6 n SER 403 Cb 0.53 -0.33 0.42 0.00 -0.26 0.00 0.00 64.21 64.57 3kk6 n SER 403 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3kk6 h TYR 404 N -0.45 0.37 -0.00 7.33 0.05 -1.95 -1.05 116.97 121.27 3kk6 h TYR 404 Ca -0.17 -0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.43 3kk6 h TYR 404 Cb 0.64 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3kk6 h TYR 404 CO 0.00 0.34 -0.78 0.93 -1.05 0.00 0.00 178.16 177.60 3kk6 h GLU 405 N 0.37 0.06 0.00 4.88 3.07 -1.94 -2.55 114.58 118.48 3kk6 h GLU 405 Ca 0.09 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3kk6 h GLU 405 Cb 0.16 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3kk6 h GLU 405 CO -0.00 0.81 -0.68 1.04 -1.40 0.00 0.00 179.01 178.78 3kk6 n GLN 406 N -3.65 0.30 -0.09 2.33 6.02 -0.96 -4.31 117.38 117.01 3kk6 n GLN 406 Ca -0.02 0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 3kk6 n GLN 406 Cb 0.75 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 30.20 3kk6 n GLN 406 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kk6 n PHE 407 N -2.10 0.00 -2.72 1.08 7.35 -0.44 -4.83 117.46 115.81 3kk6 n PHE 407 Ca 0.03 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.35 3kk6 n PHE 407 Cb 0.44 -0.84 -0.06 0.00 0.35 0.00 0.00 39.48 39.37 3kk6 n PHE 407 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3kk6 s LEU 408 N -5.38 4.32 -1.54 -2.13 1.43 -0.96 -3.52 118.68 110.90 3kk6 s LEU 408 Ca -0.11 1.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 3kk6 s LEU 408 Cb 0.05 -4.01 0.01 0.00 0.03 0.00 0.00 46.19 42.27 3kk6 s LEU 408 CO 0.68 -0.15 0.33 0.49 0.23 0.00 0.00 176.35 177.93 3kk6 n PHE 409 N 0.51 -1.59 -2.83 0.29 3.72 -1.12 -4.93 117.46 111.51 3kk6 n PHE 409 Ca 0.02 0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 57.30 3kk6 n PHE 409 Cb 0.50 -3.95 -0.04 0.00 -0.94 0.00 0.00 39.48 35.05 3kk6 n PHE 409 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3kk6 s ASN 410 N -2.42 7.12 -0.17 4.37 3.84 -1.23 -4.94 114.94 121.52 3kk6 s ASN 410 Ca 0.18 1.37 0.10 0.00 0.21 0.00 0.00 52.86 54.73 3kk6 s ASN 410 Cb -0.09 -2.50 -0.17 0.00 -0.55 0.00 0.00 41.25 37.95 3kk6 s ASN 410 CO 0.23 -0.32 -0.01 0.35 -2.79 0.00 0.00 177.10 174.56 3kk6 n THR 411 N 4.30 1.09 -0.02 -5.21 -2.24 -1.26 -4.53 114.28 106.40 3kk6 n THR 411 Ca 0.05 -0.60 0.08 0.00 -2.27 0.00 0.00 64.05 61.31 3kk6 n THR 411 Cb 0.50 -0.76 -0.17 0.00 -2.10 0.00 0.00 70.33 67.80 3kk6 n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kk6 n SER 412 N -2.72 0.04 -0.32 3.42 3.41 -1.26 -4.47 113.62 111.72 3kk6 n SER 412 Ca -0.28 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.39 3kk6 n SER 412 Cb 0.97 1.87 0.22 0.00 -0.26 0.00 0.00 64.21 67.01 3kk6 n SER 412 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 3kk6 h MET 413 N 0.00 0.78 -0.19 4.33 -1.53 -1.98 -0.78 114.93 115.56 3kk6 h MET 413 Ca -0.07 -0.05 0.02 0.00 -3.44 0.00 0.00 59.70 56.17 3kk6 h MET 413 Cb 1.14 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 32.00 3kk6 h MET 413 CO 0.00 0.52 0.06 1.25 0.14 0.00 0.00 176.91 178.88 3kk6 h LEU 414 N 0.80 0.06 -0.05 3.39 5.85 -1.86 -2.45 115.31 121.06 3kk6 h LEU 414 Ca 0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3kk6 h LEU 414 Cb 0.52 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kk6 h LEU 414 CO -0.29 0.06 -0.19 1.33 -0.34 0.00 0.00 178.44 179.01 3kk6 n VAL 415 N -5.05 0.00 0.04 1.05 0.24 -0.95 -2.08 118.33 111.58 3kk6 n VAL 415 Ca -0.03 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.34 62.20 3kk6 n VAL 415 Cb 0.07 -0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.17 3kk6 n VAL 415 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3kk6 h ASP 416 N 0.13 0.00 0.00 -1.34 3.32 -0.69 -3.37 116.42 114.47 3kk6 h ASP 416 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 3kk6 h ASP 416 Cb 0.46 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3kk6 h ASP 416 CO 0.00 0.90 -1.88 -1.22 -1.72 0.00 0.00 179.24 175.32 3kk6 n TYR 417 N -3.20 0.00 -1.72 4.55 4.01 -1.04 -5.08 117.16 114.67 3kk6 n TYR 417 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3kk6 n TYR 417 Cb 0.94 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 3kk6 n TYR 417 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kk6 n GLY 418 N 1.98 -2.20 0.10 2.72 0.00 -0.88 -4.24 105.19 102.67 3kk6 n GLY 418 Ca -0.17 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 3kk6 n GLY 418 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kk6 n VAL 419 N -0.12 1.52 -0.12 1.61 0.31 -1.26 -3.84 118.33 116.43 3kk6 n VAL 419 Ca 0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.29 3kk6 n VAL 419 Cb 0.00 -2.07 0.18 0.00 -0.91 0.00 0.00 33.84 31.04 3kk6 n VAL 419 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3kk6 h GLU 420 N -1.00 0.81 0.00 5.55 9.09 -1.88 -1.58 114.58 125.57 3kk6 h GLU 420 Ca -0.33 -0.18 -0.05 0.00 0.05 0.00 0.00 59.36 58.85 3kk6 h GLU 420 Cb 1.23 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 3kk6 h GLU 420 CO -0.20 0.76 -0.24 0.00 0.05 0.00 0.00 179.01 179.38 3kk6 h ALA 421 N 1.32 0.93 0.11 1.06 0.00 -1.77 -3.09 119.26 117.82 3kk6 h ALA 421 Ca 0.17 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 3kk6 h ALA 421 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kk6 h ALA 421 CO 0.00 0.30 -1.53 1.37 0.00 0.00 0.00 179.25 179.40 3kk6 h LEU 422 N 0.00 0.36 -2.11 0.00 -0.00 -1.56 -3.29 115.31 108.71 3kk6 h LEU 422 Ca -0.00 -0.84 0.04 0.00 -0.00 0.00 0.00 57.88 57.08 3kk6 h LEU 422 Cb 0.92 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 3kk6 h LEU 422 CO 0.03 1.66 0.12 0.58 -0.00 0.00 0.00 178.44 180.83 3kk6 h VAL 423 N -0.28 0.77 -0.03 0.15 2.07 -1.37 0.00 116.25 117.57 3kk6 h VAL 423 Ca -0.33 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 3kk6 h VAL 423 Cb 1.79 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3kk6 h VAL 423 CO 0.04 0.00 -0.54 -0.78 0.02 0.00 0.00 177.57 176.32 3kk6 h ASP 424 N 0.00 0.09 0.01 0.57 3.58 -1.64 -2.91 116.42 116.12 3kk6 h ASP 424 Ca 0.07 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 3kk6 h ASP 424 Cb 0.31 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.35 3kk6 h ASP 424 CO -0.00 0.61 -0.39 0.00 -2.88 0.00 0.00 179.24 176.58 3kk6 h ALA 425 N 1.39 0.04 -0.45 -0.78 0.00 -1.07 -3.14 119.26 115.25 3kk6 h ALA 425 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3kk6 h ALA 425 Cb 0.97 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3kk6 h ALA 425 CO 0.07 0.19 0.04 0.74 0.00 0.00 0.00 179.25 180.30 3kk6 h PHE 426 N -0.38 0.73 0.00 0.00 0.04 -1.52 -2.28 116.94 113.53 3kk6 h PHE 426 Ca -0.05 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.64 3kk6 h PHE 426 Cb 1.15 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.09 3kk6 h PHE 426 CO 0.17 0.67 0.00 0.77 -0.60 0.00 0.00 178.31 179.32 3kk6 h SER 427 N 0.67 0.00 -0.07 2.17 0.02 -1.60 -2.86 113.55 111.88 3kk6 h SER 427 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3kk6 h SER 427 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3kk6 h SER 427 CO 0.01 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.24 3kk6 n ARG 428 N -2.39 2.18 -4.75 3.45 1.74 -0.88 -3.79 116.66 112.22 3kk6 n ARG 428 Ca 0.03 -1.90 -0.33 0.00 -0.77 0.00 0.00 57.85 54.89 3kk6 n ARG 428 Cb 0.34 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.18 3kk6 n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3kk6 s GLN 429 N -1.84 3.20 0.60 5.56 0.74 -1.09 -4.84 119.66 122.00 3kk6 s GLN 429 Ca 0.28 -0.78 -0.16 0.00 0.05 0.00 0.00 55.36 54.75 3kk6 s GLN 429 Cb 0.19 -2.53 -0.03 0.00 1.10 0.00 0.00 33.01 31.74 3kk6 s GLN 429 CO 0.29 0.09 1.08 -2.14 -0.55 0.00 0.00 175.29 174.06 3kk6 s PRO 430 N 0.60 3.18 0.00 1.67 0.02 -1.26 -1.52 135.00 137.69 3kk6 s PRO 430 Ca -0.10 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.23 3kk6 s PRO 430 Cb -0.16 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3kk6 s PRO 430 CO 0.03 -0.94 0.00 0.00 -0.33 0.00 0.00 177.00 175.76 3kk6 n ALA 431 N -2.03 0.00 -2.74 -1.55 0.00 -0.65 -4.55 120.51 108.99 3kk6 n ALA 431 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.20 3kk6 n ALA 431 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 3kk6 n ALA 431 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kk6 s GLY 432 N -1.92 1.73 0.39 0.00 0.00 -0.73 -2.89 107.32 103.90 3kk6 s GLY 432 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 44.72 43.60 3kk6 s GLY 432 CO 0.00 -0.43 1.49 -2.13 0.00 0.00 0.00 173.10 172.03 3kk6 n ARG 433 N 2.67 2.65 0.01 2.90 0.63 -0.73 -3.55 116.66 121.24 3kk6 n ARG 433 Ca -0.18 0.93 -0.20 0.00 -0.92 0.00 0.00 57.85 57.48 3kk6 n ARG 433 Cb 0.53 -2.68 -0.14 0.00 0.45 0.00 0.00 32.46 30.62 3kk6 n ARG 433 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3kk6 n ILE 434 N 0.34 1.77 -3.43 5.15 5.41 -0.83 -4.67 119.36 123.11 3kk6 n ILE 434 Ca 0.02 -0.68 -0.19 0.00 1.00 0.00 0.00 62.75 62.90 3kk6 n ILE 434 Cb 0.39 -1.66 -0.00 0.00 -0.71 0.00 0.00 39.64 37.66 3kk6 n ILE 434 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3kk6 s GLY 435 N -5.51 1.58 0.00 7.39 0.00 -0.49 -4.52 107.32 105.77 3kk6 s GLY 435 Ca -0.20 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.11 3kk6 s GLY 435 CO 0.78 -1.32 0.00 0.61 0.00 0.00 0.00 173.10 173.17 3kk6 n GLY 436 N -1.68 2.00 1.23 0.20 0.00 0.38 -4.85 105.19 102.46 3kk6 n GLY 436 Ca -0.00 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 45.85 3kk6 n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk6 n GLY 437 N 0.00 -2.59 3.48 -0.02 0.00 -0.96 -4.43 105.19 100.68 3kk6 n GLY 437 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3kk6 n GLY 437 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kk6 s ARG 438 N -3.13 3.27 -0.39 1.61 1.70 -1.26 -5.05 118.95 115.71 3kk6 s ARG 438 Ca 0.00 -0.79 0.11 0.00 -0.47 0.00 0.00 55.73 54.58 3kk6 s ARG 438 Cb 0.00 -3.79 0.33 0.00 -0.57 0.00 0.00 34.95 30.91 3kk6 s ARG 438 CO 0.00 -0.53 0.73 -1.71 -1.08 0.00 0.00 175.30 172.71 3kk6 n ASN 439 N 5.08 0.31 -3.85 -2.89 5.15 -1.20 -4.17 115.26 113.70 3kk6 n ASN 439 Ca -0.12 -3.02 -0.27 0.00 -0.60 0.00 0.00 54.58 50.57 3kk6 n ASN 439 Cb 0.49 -0.32 -0.17 0.00 -0.53 0.00 0.00 39.78 39.25 3kk6 n ASN 439 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kk6 s ILE 440 N -1.86 0.86 0.57 -1.44 1.01 -0.17 -4.10 121.20 116.06 3kk6 s ILE 440 Ca 0.37 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 3kk6 s ILE 440 Cb 0.31 -1.04 -0.08 0.00 0.01 0.00 0.00 42.46 41.66 3kk6 s ILE 440 CO -0.09 0.16 0.61 -0.67 0.00 0.00 0.00 174.94 174.95 3kk6 n ASP 441 N 4.97 -0.70 0.06 3.58 2.03 -1.26 -1.58 116.55 123.66 3kk6 n ASP 441 Ca -0.11 0.75 0.09 0.00 0.52 0.00 0.00 54.79 56.05 3kk6 n ASP 441 Cb 0.49 -1.21 0.39 0.00 -0.72 0.00 0.00 41.12 40.06 3kk6 n ASP 441 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kk6 n HIS 442 N -1.68 0.37 0.14 -0.67 1.44 -1.26 -2.73 115.22 110.83 3kk6 n HIS 442 Ca 0.12 0.15 -0.25 0.00 -2.01 0.00 0.00 57.72 55.73 3kk6 n HIS 442 Cb 0.47 -0.74 -0.16 0.00 0.12 0.00 0.00 29.99 29.69 3kk6 n HIS 442 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3kk6 h HIS 443 N 0.00 0.94 -0.59 -1.40 3.86 -1.99 -3.34 115.15 112.64 3kk6 h HIS 443 Ca 0.00 -0.69 0.00 0.00 -1.16 0.00 0.00 60.37 58.52 3kk6 h HIS 443 Cb 0.29 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3kk6 h HIS 443 CO 0.00 1.57 0.00 -0.89 0.86 0.00 0.00 177.93 179.47 3kk6 n ILE 444 N -3.73 1.95 0.24 2.45 5.41 -1.11 -4.36 119.36 120.21 3kk6 n ILE 444 Ca -0.18 -1.28 0.13 0.00 1.00 0.00 0.00 62.75 62.43 3kk6 n ILE 444 Cb 1.09 0.06 0.37 0.00 -0.71 0.00 0.00 39.64 40.46 3kk6 n ILE 444 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kk6 h LEU 445 N 3.75 0.00 -0.80 1.39 5.85 -1.64 -2.91 115.31 120.96 3kk6 h LEU 445 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kk6 h LEU 445 Cb 1.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.51 3kk6 h LEU 445 CO 0.25 0.03 0.00 1.12 -0.34 0.00 0.00 178.44 179.51 3kk6 h HIS 446 N 0.00 0.00 0.14 1.25 2.07 -1.84 -2.35 115.15 114.42 3kk6 h HIS 446 Ca -0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 3kk6 h HIS 446 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 3kk6 h HIS 446 CO 0.00 0.00 -1.51 0.28 -3.07 0.00 0.00 177.93 173.63 3kk6 h VAL 447 N 0.00 1.19 0.00 6.12 2.07 -1.84 -2.95 116.25 120.84 3kk6 h VAL 447 Ca 0.00 -2.79 -0.03 0.00 0.82 0.00 0.00 66.70 64.70 3kk6 h VAL 447 Cb 0.46 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3kk6 h VAL 447 CO 0.00 0.83 -0.14 0.00 0.02 0.00 0.00 177.57 178.28 3kk6 h ALA 448 N 0.42 1.72 0.00 1.67 0.00 -1.50 -0.50 119.26 121.08 3kk6 h ALA 448 Ca -0.24 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 3kk6 h ALA 448 Cb 2.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 3kk6 h ALA 448 CO 0.18 0.17 -1.04 -0.39 0.00 0.00 0.00 179.25 178.18 3kk6 h VAL 449 N 0.00 0.94 -0.00 0.00 -1.51 -1.57 -3.01 116.25 111.09 3kk6 h VAL 449 Ca -0.00 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 62.99 3kk6 h VAL 449 Cb 0.25 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3kk6 h VAL 449 CO 0.02 0.53 -0.07 0.47 -1.23 0.00 0.00 177.57 177.29 3kk6 n ASP 450 N -3.13 0.37 -0.05 4.19 8.00 -0.73 -1.71 116.55 123.50 3kk6 n ASP 450 Ca -0.04 -0.57 -0.21 0.00 0.71 0.00 0.00 54.79 54.69 3kk6 n ASP 450 Cb 0.85 -0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 41.72 3kk6 n ASP 450 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kk6 n VAL 451 N -0.98 1.67 0.13 2.53 0.31 -0.27 -3.08 118.33 118.64 3kk6 n VAL 451 Ca 0.15 -0.59 -0.02 0.00 -0.01 0.00 0.00 64.34 63.88 3kk6 n VAL 451 Cb 0.26 -1.65 0.15 0.00 -0.91 0.00 0.00 33.84 31.68 3kk6 n VAL 451 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3kk6 h ILE 452 N -0.04 1.46 -0.24 2.52 2.04 -1.57 -1.58 117.51 120.10 3kk6 h ILE 452 Ca -0.48 -2.21 -0.16 0.00 1.00 0.00 0.00 64.86 63.01 3kk6 h ILE 452 Cb 1.94 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 3kk6 h ILE 452 CO -0.00 0.63 -0.48 0.11 0.00 0.00 0.00 178.15 178.41 3kk6 h LYS 453 N 0.00 0.65 0.00 2.37 1.57 -1.50 -2.66 116.57 117.01 3kk6 h LYS 453 Ca -0.01 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3kk6 h LYS 453 Cb 1.14 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 3kk6 h LYS 453 CO 0.08 0.99 -0.14 1.49 -0.57 0.00 0.00 179.45 181.30 3kk6 h GLU 454 N 0.52 0.00 -0.49 3.15 4.81 -1.45 -2.88 114.58 118.24 3kk6 h GLU 454 Ca 0.03 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3kk6 h GLU 454 Cb 1.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3kk6 h GLU 454 CO 0.10 0.14 -0.06 1.03 -0.73 0.00 0.00 179.01 179.50 3kk6 h SER 455 N 0.00 0.90 1.20 1.04 0.87 -0.94 -2.16 113.55 114.46 3kk6 h SER 455 Ca -0.00 -0.33 -0.10 0.00 -1.23 0.00 0.00 61.79 60.12 3kk6 h SER 455 Cb 0.79 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3kk6 h SER 455 CO 0.02 1.02 -0.48 0.03 -0.53 0.00 0.00 176.83 176.89 3kk6 h ARG 456 N 0.76 0.00 -0.38 2.24 3.08 -1.42 -1.09 114.38 117.56 3kk6 h ARG 456 Ca 0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 3kk6 h ARG 456 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3kk6 h ARG 456 CO 0.04 0.48 -0.37 0.28 -1.07 0.00 0.00 179.97 179.32 3kk6 h VAL 457 N 0.00 1.27 0.00 2.04 2.07 -1.37 -2.93 116.25 117.33 3kk6 h VAL 457 Ca -0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3kk6 h VAL 457 Cb 1.21 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3kk6 h VAL 457 CO 0.06 0.52 -0.04 -0.07 0.02 0.00 0.00 177.57 178.05 3kk6 h LEU 458 N 0.75 0.00 -1.89 2.57 3.38 -1.30 -3.48 115.31 115.34 3kk6 h LEU 458 Ca 0.06 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.74 3kk6 h LEU 458 Cb 0.96 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.87 3kk6 h LEU 458 CO 0.09 0.00 -0.73 0.54 0.09 0.00 0.00 178.44 178.44 3kk6 n ARG 459 N -2.62 -5.03 -1.42 1.13 1.74 -0.45 -4.79 116.66 105.23 3kk6 n ARG 459 Ca 0.05 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.58 3kk6 n ARG 459 Cb 0.48 -5.57 0.09 0.00 -1.02 0.00 0.00 32.46 26.44 3kk6 n ARG 459 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kk6 s LEU 460 N -5.79 3.28 0.80 0.55 1.02 -0.96 -1.90 118.68 115.68 3kk6 s LEU 460 Ca 0.11 2.27 -0.12 0.00 0.02 0.00 0.00 54.13 56.41 3kk6 s LEU 460 Cb -0.01 -4.58 0.07 0.00 0.02 0.00 0.00 46.19 41.69 3kk6 s LEU 460 CO 0.67 -2.22 1.15 -1.10 0.02 0.00 0.00 176.35 174.87 3kk6 s GLN 461 N -4.04 2.07 0.93 1.70 -0.21 -1.26 -4.66 119.66 114.18 3kk6 s GLN 461 Ca 0.72 0.26 -0.14 0.00 0.02 0.00 0.00 55.36 56.22 3kk6 s GLN 461 Cb -0.27 -1.95 0.22 0.00 1.00 0.00 0.00 33.01 32.02 3kk6 s GLN 461 CO 0.46 -1.55 0.50 -2.30 -2.12 0.00 0.00 175.29 170.28 3kk6 n PRO 462 N -3.32 -2.84 0.09 2.91 -0.02 -1.26 -4.28 135.00 126.29 3kk6 n PRO 462 Ca 0.07 -0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 60.49 3kk6 n PRO 462 Cb 0.59 -1.25 -0.15 0.00 -0.02 0.00 0.00 33.50 32.68 3kk6 n PRO 462 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kk6 h PHE 463 N -2.90 0.77 0.00 6.00 3.57 -0.87 -3.31 116.94 120.21 3kk6 h PHE 463 Ca -0.23 -0.57 -0.08 0.00 3.53 0.00 0.00 57.97 60.63 3kk6 h PHE 463 Cb 0.76 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3kk6 h PHE 463 CO 0.00 1.63 -0.38 -0.91 -2.23 0.00 0.00 178.31 176.41 3kk6 h ASN 464 N 0.12 0.00 -0.13 0.41 4.21 -1.82 -2.47 115.58 115.89 3kk6 h ASN 464 Ca -0.31 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.06 3kk6 h ASN 464 Cb 2.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.30 3kk6 h ASN 464 CO 0.20 0.38 -0.37 -0.33 -1.29 0.00 0.00 177.43 176.03 3kk6 h GLU 465 N 0.00 0.65 0.00 0.81 4.39 -1.90 -1.82 114.58 116.71 3kk6 h GLU 465 Ca -0.00 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.26 3kk6 h GLU 465 Cb 0.89 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3kk6 h GLU 465 CO 0.05 0.92 -0.56 1.88 -1.16 0.00 0.00 179.01 180.14 3kk6 h TYR 466 N 0.54 0.00 -0.70 4.33 0.05 -1.61 -2.79 116.97 116.79 3kk6 h TYR 466 Ca 0.05 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 3kk6 h TYR 466 Cb 0.88 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 3kk6 h TYR 466 CO 0.04 0.56 0.15 0.00 -1.05 0.00 0.00 178.16 177.86 3kk6 h ARG 467 N 0.00 1.13 -0.26 4.88 3.08 -1.09 -2.31 114.38 119.81 3kk6 h ARG 467 Ca -0.01 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 3kk6 h ARG 467 Cb 1.21 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3kk6 h ARG 467 CO 0.07 1.00 -0.09 0.87 -1.07 0.00 0.00 179.97 180.76 3kk6 h LYS 468 N 1.06 0.43 -0.15 0.04 1.57 -1.23 0.37 116.57 118.67 3kk6 h LYS 468 Ca 0.22 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 3kk6 h LYS 468 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3kk6 h LYS 468 CO 0.01 0.53 -0.48 -0.09 -0.57 0.00 0.00 179.45 178.84 3kk6 h ARG 469 N 0.40 0.38 -0.90 3.15 9.65 -1.16 -3.21 114.38 122.70 3kk6 h ARG 469 Ca 0.08 -0.21 -0.60 0.00 -1.10 0.00 0.00 59.98 58.15 3kk6 h ARG 469 Cb 0.41 0.01 -0.31 0.00 -1.39 0.00 0.00 29.97 28.69 3kk6 h ARG 469 CO 0.02 0.78 0.39 1.19 2.80 0.00 0.00 179.97 185.15 3kk6 n PHE 470 N -3.98 2.96 -3.36 2.20 3.72 -0.92 -4.93 117.46 113.15 3kk6 n PHE 470 Ca -0.02 -2.64 -0.18 0.00 -0.05 0.00 0.00 57.45 54.56 3kk6 n PHE 470 Cb 0.54 -1.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.05 3kk6 n PHE 470 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kk6 n GLY 471 N -0.90 -1.14 3.23 1.37 0.00 -1.21 -4.92 105.19 101.62 3kk6 n GLY 471 Ca 0.56 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.99 3kk6 n GLY 471 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kk6 s MET 472 N -4.65 0.48 -0.05 1.61 -1.94 0.11 -4.90 119.30 109.95 3kk6 s MET 472 Ca 0.39 0.27 -0.29 0.00 -1.71 0.00 0.00 55.69 54.34 3kk6 s MET 472 Cb -0.08 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.96 3kk6 s MET 472 CO 0.78 -0.09 0.96 -1.59 -0.01 0.00 0.00 175.02 175.07 3kk6 s LYS 473 N -0.28 4.49 0.55 2.03 0.00 -1.26 -3.24 119.74 122.03 3kk6 s LYS 473 Ca -0.04 1.35 -0.20 0.00 0.00 0.00 0.00 55.97 57.08 3kk6 s LYS 473 Cb -0.03 -3.49 -0.07 0.00 0.00 0.00 0.00 37.83 34.24 3kk6 s LYS 473 CO 0.02 -0.14 0.97 -2.30 0.00 0.00 0.00 175.35 173.89 3kk6 n PRO 474 N 4.33 1.05 -2.53 1.78 -0.02 -1.26 -4.95 135.00 133.39 3kk6 n PRO 474 Ca 0.06 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3kk6 n PRO 474 Cb 0.50 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 3kk6 n PRO 474 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3kk6 s TYR 475 N -1.45 3.62 -0.15 6.00 2.02 -1.26 -4.95 117.35 121.17 3kk6 s TYR 475 Ca 0.72 1.63 0.17 0.00 -0.37 0.00 0.00 57.07 59.22 3kk6 s TYR 475 Cb -0.45 -3.25 -0.05 0.00 -0.40 0.00 0.00 41.96 37.80 3kk6 s TYR 475 CO 0.50 -0.51 1.05 1.79 -1.57 0.00 0.00 175.55 176.81 3kk6 h THR 476 N 3.66 0.53 -4.01 -0.71 1.35 -1.97 -3.44 112.91 108.33 3kk6 h THR 476 Ca -0.44 -1.92 -0.11 0.00 -0.55 0.00 0.00 66.41 63.39 3kk6 h THR 476 Cb 1.21 2.08 -0.14 0.00 -1.73 0.00 0.00 68.15 69.57 3kk6 h THR 476 CO 0.72 0.30 -0.46 -0.94 -0.25 0.00 0.00 175.52 174.89 3kk6 s SER 477 N -5.94 0.20 0.43 5.36 1.04 -1.26 -4.82 113.70 108.71 3kk6 s SER 477 Ca -0.00 -0.86 0.22 0.00 0.48 0.00 0.00 55.95 55.78 3kk6 s SER 477 Cb 0.08 0.33 0.91 0.00 0.10 0.00 0.00 66.02 67.44 3kk6 s SER 477 CO 0.79 -0.74 1.84 -0.26 0.98 0.00 0.00 173.24 175.84 3kk6 h PHE 478 N 2.80 0.00 0.00 5.02 0.04 -1.92 -2.63 116.94 120.25 3kk6 h PHE 478 Ca -0.34 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.39 3kk6 h PHE 478 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.34 3kk6 h PHE 478 CO 0.44 0.27 -0.19 1.96 -0.60 0.00 0.00 178.31 180.20 3kk6 h GLN 479 N 0.00 0.00 0.00 1.51 4.20 -1.84 -2.54 115.11 116.44 3kk6 h GLN 479 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kk6 h GLN 479 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3kk6 h GLN 479 CO 0.04 0.19 0.00 1.49 -0.67 0.00 0.00 178.83 179.88 3kk6 h GLU 480 N 0.00 0.00 0.00 1.46 4.81 -1.83 -2.28 114.58 116.74 3kk6 h GLU 480 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3kk6 h GLU 480 Cb 0.77 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 3kk6 h GLU 480 CO 0.02 0.00 -0.21 1.25 -0.73 0.00 0.00 179.01 179.34 3kk6 h LEU 481 N 0.00 0.00 0.04 1.64 5.85 -1.46 -3.39 115.31 117.98 3kk6 h LEU 481 Ca 0.00 -0.51 -0.26 0.00 0.84 0.00 0.00 57.88 57.95 3kk6 h LEU 481 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3kk6 h LEU 481 CO 0.00 0.87 -1.16 0.71 -0.34 0.00 0.00 178.44 178.52 3kk6 h THR 482 N -1.00 1.47 0.00 1.05 1.35 -1.64 -2.37 112.91 111.77 3kk6 h THR 482 Ca -0.05 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 3kk6 h THR 482 Cb 0.66 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3kk6 h THR 482 CO -0.03 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 3kk6 n GLY 483 N 1.36 0.75 3.34 5.82 0.00 -0.86 -3.95 105.19 111.66 3kk6 n GLY 483 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3kk6 n GLY 483 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kk6 s GLU 484 N -0.49 1.11 0.08 1.61 4.04 -1.25 -5.06 118.70 118.74 3kk6 s GLU 484 Ca 0.00 -0.93 0.11 0.00 0.04 0.00 0.00 54.97 54.19 3kk6 s GLU 484 Cb 0.00 0.43 -0.17 0.00 0.02 0.00 0.00 34.13 34.40 3kk6 s GLU 484 CO 0.00 -0.42 1.05 1.57 -1.84 0.00 0.00 175.26 175.62 3kk6 h LYS 485 N 2.46 0.00 0.33 -4.83 5.09 -1.96 -3.31 116.57 114.35 3kk6 h LYS 485 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.40 3kk6 h LYS 485 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.57 3kk6 h LYS 485 CO 0.47 0.69 -0.16 1.49 -2.09 0.00 0.00 179.45 179.85 3kk6 h GLU 486 N 0.00 -0.42 -0.25 0.07 4.57 -2.00 -2.25 114.58 114.30 3kk6 h GLU 486 Ca -0.12 0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 3kk6 h GLU 486 Cb 1.78 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.46 3kk6 h GLU 486 CO 0.10 -0.14 -0.24 0.52 -1.18 0.00 0.00 179.01 178.07 3kk6 h MET 487 N -0.70 0.59 -0.80 1.92 2.86 -2.00 -3.12 114.93 113.68 3kk6 h MET 487 Ca -0.04 -0.31 0.18 0.00 -2.06 0.00 0.00 59.70 57.47 3kk6 h MET 487 Cb 0.48 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.04 3kk6 h MET 487 CO 0.07 0.90 0.26 0.00 1.06 0.00 0.00 176.91 179.20 3kk6 h ALA 488 N 0.68 1.13 -0.43 6.32 0.00 -1.64 0.33 119.26 125.65 3kk6 h ALA 488 Ca 0.04 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kk6 h ALA 488 Cb 0.79 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3kk6 h ALA 488 CO 0.06 -0.34 -0.23 0.00 0.00 0.00 0.00 179.25 178.74 3kk6 h ALA 489 N 1.65 0.60 0.00 0.00 0.00 -1.46 -2.24 119.26 117.82 3kk6 h ALA 489 Ca 0.47 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kk6 h ALA 489 Cb 0.84 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kk6 h ALA 489 CO -0.52 0.60 0.00 1.49 0.00 0.00 0.00 179.25 180.82 3kk6 h GLU 490 N 0.74 0.00 0.02 0.00 4.81 -0.35 -1.64 114.58 118.15 3kk6 h GLU 490 Ca 0.09 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.01 3kk6 h GLU 490 Cb 0.81 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 3kk6 h GLU 490 CO 0.07 0.00 -1.82 1.28 -0.73 0.00 0.00 179.01 177.80 3kk6 n LEU 491 N -2.90 1.10 0.28 1.64 4.77 -0.37 -3.59 117.00 117.94 3kk6 n LEU 491 Ca -0.01 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3kk6 n LEU 491 Cb 0.14 -0.01 0.83 0.00 -2.33 0.00 0.00 43.42 42.05 3kk6 n LEU 491 CO 0.20 0.48 1.09 -0.33 -1.33 0.00 0.00 177.39 177.50 3kk6 h GLU 492 N 0.01 0.00 0.19 3.23 4.39 -0.69 -1.71 114.58 120.01 3kk6 h GLU 492 Ca -0.33 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.05 3kk6 h GLU 492 Cb 2.04 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.72 3kk6 h GLU 492 CO 0.07 0.02 -1.36 1.05 -1.16 0.00 0.00 179.01 177.63 3kk6 h GLU 493 N 0.00 0.52 0.05 2.33 9.09 -1.60 -2.99 114.58 121.98 3kk6 h GLU 493 Ca -0.00 -0.81 -0.00 0.00 0.05 0.00 0.00 59.36 58.60 3kk6 h GLU 493 Cb 0.05 0.29 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3kk6 h GLU 493 CO 0.00 1.38 -0.03 -0.07 0.05 0.00 0.00 179.01 180.35 3kk6 h LEU 494 N 0.18 -0.06 -0.16 3.06 4.07 -1.45 -3.39 115.31 117.55 3kk6 h LEU 494 Ca -0.21 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.52 3kk6 h LEU 494 Cb 2.05 0.02 0.01 0.00 1.08 0.00 0.00 40.66 43.81 3kk6 h LEU 494 CO 0.25 0.17 -0.89 1.88 -1.08 0.00 0.00 178.44 178.77 3kk6 h TYR 495 N -0.50 0.85 0.00 1.13 0.05 -1.56 -3.43 116.97 113.50 3kk6 h TYR 495 Ca -0.01 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3kk6 h TYR 495 Cb 0.05 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3kk6 h TYR 495 CO 0.01 1.24 0.00 0.41 -1.05 0.00 0.00 178.16 178.77 3kk6 n GLY 496 N 0.85 2.34 3.56 3.88 0.00 -1.13 -2.34 105.19 112.35 3kk6 n GLY 496 Ca -0.08 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 3kk6 n GLY 496 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kk6 s ASP 497 N 0.00 4.23 0.24 1.61 2.15 -1.26 -4.88 116.67 118.76 3kk6 s ASP 497 Ca 0.00 -0.56 0.12 0.00 0.43 0.00 0.00 52.55 52.53 3kk6 s ASP 497 Cb 0.00 -0.71 0.19 0.00 -0.30 0.00 0.00 42.92 42.10 3kk6 s ASP 497 CO 0.00 0.12 1.50 -0.29 -0.17 0.00 0.00 175.17 176.33 3kk6 h ILE 498 N 2.86 1.34 0.00 4.11 6.09 -1.90 -2.99 117.51 127.01 3kk6 h ILE 498 Ca -0.47 -2.45 0.00 0.00 -1.37 0.00 0.00 64.86 60.57 3kk6 h ILE 498 Cb 1.20 2.37 0.00 0.00 0.47 0.00 0.00 36.82 40.86 3kk6 h ILE 498 CO 0.53 0.66 0.00 0.47 -3.07 0.00 0.00 178.15 176.75 3kk6 n ASP 499 N -3.52 0.00 -0.29 2.19 8.00 -1.26 -2.76 116.55 118.91 3kk6 n ASP 499 Ca -0.00 -0.89 0.04 0.00 0.71 0.00 0.00 54.79 54.65 3kk6 n ASP 499 Cb 0.72 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.85 3kk6 n ASP 499 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kk6 n ALA 500 N -0.99 2.53 -1.73 2.24 0.00 -1.13 -4.64 120.51 116.80 3kk6 n ALA 500 Ca 0.20 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3kk6 n ALA 500 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 3kk6 n ALA 500 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kk6 n LEU 501 N 0.30 4.04 -4.74 0.00 7.94 -1.11 -4.82 117.00 118.60 3kk6 n LEU 501 Ca 0.04 1.20 -0.30 0.00 -1.11 0.00 0.00 56.01 55.84 3kk6 n LEU 501 Cb 0.19 -1.54 0.11 0.00 0.53 0.00 0.00 43.42 42.72 3kk6 n LEU 501 CO 0.06 -0.18 0.69 -1.61 -1.11 0.00 0.00 177.39 175.23 3kk6 s GLU 502 N -1.65 1.80 -0.02 1.96 2.02 -1.26 -0.35 118.70 121.20 3kk6 s GLU 502 Ca 0.57 1.04 -0.18 0.00 0.02 0.00 0.00 54.97 56.43 3kk6 s GLU 502 Cb -0.53 -1.85 -0.10 0.00 0.10 0.00 0.00 34.13 31.74 3kk6 s GLU 502 CO 0.60 -1.93 0.75 0.35 0.02 0.00 0.00 175.26 175.05 3kk6 h PHE 503 N -1.33 -0.59 -0.09 1.61 3.57 -1.81 -2.87 116.94 115.43 3kk6 h PHE 503 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3kk6 h PHE 503 Cb 1.25 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 40.18 3kk6 h PHE 503 CO 0.51 -0.37 0.06 -0.92 -2.23 0.00 0.00 178.31 175.37 3kk6 h TYR 504 N -1.12 0.11 0.00 0.41 3.20 -1.94 -2.15 116.97 115.48 3kk6 h TYR 504 Ca -0.06 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 3kk6 h TYR 504 Cb 0.49 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3kk6 h TYR 504 CO 0.01 0.08 -0.07 -1.35 -1.64 0.00 0.00 178.16 175.18 3kk6 h PRO 505 N 0.11 0.00 -0.35 1.82 0.11 -1.98 -2.63 132.00 129.08 3kk6 h PRO 505 Ca 0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3kk6 h PRO 505 Cb -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3kk6 h PRO 505 CO -0.01 0.07 -0.20 0.78 -0.21 0.00 0.00 178.00 178.44 3kk6 h GLY 506 N 0.33 0.71 1.18 -0.55 0.00 -1.15 -2.32 103.07 101.27 3kk6 h GLY 506 Ca -0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 47.33 46.56 3kk6 h GLY 506 CO 0.01 0.52 -0.60 1.41 0.00 0.00 0.00 176.54 177.88 3kk6 h LEU 507 N 0.58 0.95 0.00 3.11 4.07 -1.33 -3.02 115.31 119.68 3kk6 h LEU 507 Ca 0.09 -0.54 -0.14 0.00 0.08 0.00 0.00 57.88 57.38 3kk6 h LEU 507 Cb 0.66 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3kk6 h LEU 507 CO 0.05 1.33 -0.77 -0.07 -1.08 0.00 0.00 178.44 177.90 3kk6 h LEU 508 N 0.63 0.00 -0.35 1.67 3.38 -1.51 -3.26 115.31 115.87 3kk6 h LEU 508 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kk6 h LEU 508 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kk6 h LEU 508 CO 0.13 0.61 -0.41 0.18 0.09 0.00 0.00 178.44 179.04 3kk6 n LEU 509 N -3.19 0.96 -4.73 1.67 4.32 -0.88 -0.47 117.00 114.69 3kk6 n LEU 509 Ca -0.01 -0.25 -0.41 0.00 -0.02 0.00 0.00 56.01 55.32 3kk6 n LEU 509 Cb 0.80 -0.14 -0.04 0.00 -1.62 0.00 0.00 43.42 42.42 3kk6 n LEU 509 CO 0.42 0.19 0.82 -0.70 -1.22 0.00 0.00 177.39 176.91 3kk6 s GLU 510 N -2.69 4.53 0.88 3.23 2.12 -1.14 -4.25 118.70 121.38 3kk6 s GLU 510 Ca 0.18 1.74 -0.11 0.00 0.36 0.00 0.00 54.97 57.14 3kk6 s GLU 510 Cb 0.18 -3.30 0.12 0.00 0.26 0.00 0.00 34.13 31.40 3kk6 s GLU 510 CO 0.61 -0.04 1.11 -1.59 -0.54 0.00 0.00 175.26 174.81 3kk6 s LYS 511 N 0.11 1.32 0.20 4.30 0.00 -0.89 -2.07 119.74 122.72 3kk6 s LYS 511 Ca 0.52 1.29 0.09 0.00 0.00 0.00 0.00 55.97 57.87 3kk6 s LYS 511 Cb -0.29 -1.78 -0.05 0.00 0.00 0.00 0.00 37.83 35.71 3kk6 s LYS 511 CO 0.33 -2.33 -0.17 0.00 0.00 0.00 0.00 175.35 173.18 3kk6 s HIS 513 N -2.54 3.36 0.33 0.00 3.76 -1.26 -4.82 115.29 114.12 3kk6 s HIS 513 Ca 0.22 1.30 0.19 0.00 -0.15 0.00 0.00 55.06 56.62 3kk6 s HIS 513 Cb -0.03 -3.51 1.18 0.00 1.11 0.00 0.00 32.58 31.33 3kk6 s HIS 513 CO 0.08 -1.54 1.36 -2.30 -0.85 0.00 0.00 174.74 171.49 3kk6 n PRO 514 N 2.88 -0.05 -0.77 8.40 -0.02 -1.26 0.21 135.00 144.39 3kk6 n PRO 514 Ca 0.06 1.17 0.02 0.00 -2.02 0.00 0.00 63.50 62.74 3kk6 n PRO 514 Cb 0.44 -2.13 0.30 0.00 -0.02 0.00 0.00 33.50 32.09 3kk6 n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kk6 n ASN 515 N -4.87 4.45 -4.97 2.55 4.13 -1.26 -4.92 115.26 110.37 3kk6 n ASN 515 Ca 0.33 -3.15 -0.21 0.00 1.68 0.00 0.00 54.58 53.23 3kk6 n ASN 515 Cb 1.14 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 38.72 3kk6 n ASN 515 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3kk6 s SER 516 N -1.47 6.10 0.15 6.41 0.01 0.55 -4.34 113.70 121.11 3kk6 s SER 516 Ca 0.49 0.08 0.19 0.00 1.31 0.00 0.00 55.95 58.02 3kk6 s SER 516 Cb 0.40 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.98 3kk6 s SER 516 CO 0.11 -0.35 0.99 -0.29 0.41 0.00 0.00 173.24 174.11 3kk6 h ILE 517 N 0.86 0.33 -3.37 1.44 2.10 -1.86 -3.42 117.51 113.60 3kk6 h ILE 517 Ca -0.48 -1.62 -0.01 0.00 1.08 0.00 0.00 64.86 63.83 3kk6 h ILE 517 Cb 1.24 1.88 -0.07 0.00 -1.09 0.00 0.00 36.82 38.78 3kk6 h ILE 517 CO 0.57 0.19 0.04 0.72 -1.08 0.00 0.00 178.15 178.59 3kk6 s PHE 518 N -3.09 0.13 1.32 2.19 -0.12 -1.26 -1.39 117.98 115.76 3kk6 s PHE 518 Ca -0.01 -0.54 -0.19 0.00 -0.05 0.00 0.00 56.93 56.14 3kk6 s PHE 518 Cb 0.09 0.42 0.33 0.00 -0.63 0.00 0.00 43.02 43.23 3kk6 s PHE 518 CO 0.79 -1.11 0.97 0.20 -0.05 0.00 0.00 175.22 176.02 3kk6 s GLY 519 N -2.98 1.47 0.47 1.99 0.00 -1.26 -4.60 107.32 102.41 3kk6 s GLY 519 Ca 0.18 -0.56 0.22 0.00 0.00 0.00 0.00 44.72 44.55 3kk6 s GLY 519 CO 0.08 0.34 1.98 -2.09 0.00 0.00 0.00 173.10 173.41 3kk6 h GLU 520 N -3.10 0.00 0.03 2.90 4.81 -1.90 -2.78 114.58 114.53 3kk6 h GLU 520 Ca -0.51 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.50 3kk6 h GLU 520 Cb 1.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3kk6 h GLU 520 CO 0.38 0.20 -1.02 0.77 -0.73 0.00 0.00 179.01 178.60 3kk6 h SER 521 N 0.00 0.16 0.58 1.04 0.02 -1.92 -2.05 113.55 111.38 3kk6 h SER 521 Ca -0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3kk6 h SER 521 Cb 0.44 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3kk6 h SER 521 CO 0.03 1.07 -0.19 -0.03 -1.14 0.00 0.00 176.83 176.56 3kk6 h MET 522 N 0.04 0.00 0.11 3.45 1.85 -1.81 -1.53 114.93 117.04 3kk6 h MET 522 Ca -0.05 0.00 -0.30 0.00 -0.61 0.00 0.00 59.70 58.74 3kk6 h MET 522 Cb 1.74 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.76 3kk6 h MET 522 CO 0.15 0.19 -1.61 0.82 -0.40 0.00 0.00 176.91 176.07 3kk6 h ILE 523 N 0.00 0.87 -0.00 1.77 2.04 -1.55 -2.66 117.51 117.97 3kk6 h ILE 523 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3kk6 h ILE 523 Cb 0.54 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3kk6 h ILE 523 CO 0.03 0.72 -0.14 1.21 0.00 0.00 0.00 178.15 179.97 3kk6 n GLU 524 N -3.84 0.38 -0.05 2.37 4.07 -0.78 -1.66 120.64 121.14 3kk6 n GLU 524 Ca -0.28 -0.11 -0.05 0.00 -0.06 0.00 0.00 57.16 56.66 3kk6 n GLU 524 Cb 0.93 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 30.74 3kk6 n GLU 524 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3kk6 n MET 525 N -1.21 2.36 0.02 5.31 2.81 -0.59 -4.68 117.12 121.13 3kk6 n MET 525 Ca 0.11 -0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.94 3kk6 n MET 525 Cb 0.30 -1.25 -0.12 0.00 -0.71 0.00 0.00 33.22 31.44 3kk6 n MET 525 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kk6 h GLY 526 N 1.87 0.00 0.65 3.03 0.00 -1.47 -3.31 103.07 103.83 3kk6 h GLY 526 Ca -0.26 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.11 3kk6 h GLY 526 CO 0.01 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.66 3kk6 h ALA 527 N 1.09 0.40 0.29 3.60 0.00 -1.51 -2.32 119.26 120.81 3kk6 h ALA 527 Ca -0.18 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kk6 h ALA 527 Cb 1.85 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3kk6 h ALA 527 CO 0.09 -0.30 -0.21 -1.35 0.00 0.00 0.00 179.25 177.48 3kk6 h PRO 528 N 0.24 -0.49 -0.46 0.00 0.11 -1.80 -2.39 132.00 127.21 3kk6 h PRO 528 Ca 0.16 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.38 3kk6 h PRO 528 Cb 0.16 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.32 3kk6 h PRO 528 CO -0.19 -0.32 0.12 0.74 -0.21 0.00 0.00 178.00 178.14 3kk6 h PHE 529 N -0.51 0.20 -0.73 0.65 0.04 -1.61 -2.03 116.94 112.97 3kk6 h PHE 529 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3kk6 h PHE 529 Cb 0.44 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 3kk6 h PHE 529 CO -0.12 0.04 0.29 1.03 -0.60 0.00 0.00 178.31 178.95 3kk6 h SER 530 N 0.27 1.00 0.44 2.17 0.87 -1.43 -2.93 113.55 113.93 3kk6 h SER 530 Ca 0.23 -0.17 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 3kk6 h SER 530 Cb 0.27 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3kk6 h SER 530 CO -0.27 0.90 -0.88 -0.07 -0.53 0.00 0.00 176.83 175.98 3kk6 h LEU 531 N 1.04 0.39 -0.93 2.23 3.38 -1.05 -2.77 115.31 117.61 3kk6 h LEU 531 Ca 0.24 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3kk6 h LEU 531 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kk6 h LEU 531 CO -0.02 1.10 -0.43 0.50 0.09 0.00 0.00 178.44 179.68 3kk6 h LYS 532 N 0.18 0.23 0.00 1.13 1.63 -1.38 -3.05 116.57 115.31 3kk6 h LYS 532 Ca -0.06 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 3kk6 h LYS 532 Cb 1.50 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.13 3kk6 h LYS 532 CO 0.14 0.62 -0.51 0.78 -3.45 0.00 0.00 179.45 177.03 3kk6 h GLY 533 N 1.25 0.00 0.00 5.01 0.00 -1.44 -1.71 103.07 106.17 3kk6 h GLY 533 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3kk6 h GLY 533 CO 0.07 0.00 -0.30 1.41 0.00 0.00 0.00 176.54 177.71 3kk6 h LEU 534 N 0.00 0.00 0.00 3.11 3.38 -1.51 -3.35 115.31 116.94 3kk6 h LEU 534 Ca -0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3kk6 h LEU 534 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3kk6 h LEU 534 CO 0.00 0.85 -0.42 0.18 0.09 0.00 0.00 178.44 179.14 3kk6 n LEU 535 N -4.64 0.75 0.00 1.67 4.77 -1.15 -2.99 117.00 115.40 3kk6 n LEU 535 Ca -0.09 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.31 3kk6 n LEU 535 Cb 0.29 -0.22 0.36 0.00 -2.33 0.00 0.00 43.42 41.52 3kk6 n LEU 535 CO 0.14 -0.10 0.76 0.61 -1.33 0.00 0.00 177.39 177.48 3kk6 n GLY 536 N 1.33 -1.05 3.77 -0.72 0.00 -0.64 -4.68 105.19 103.20 3kk6 n GLY 536 Ca 0.04 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3kk6 n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kk6 s ASN 537 N -2.97 6.37 0.30 1.61 3.84 -1.16 -2.88 114.94 120.05 3kk6 s ASN 537 Ca 0.09 2.94 0.05 0.00 0.21 0.00 0.00 52.86 56.14 3kk6 s ASN 537 Cb 0.11 -2.66 0.68 0.00 -0.55 0.00 0.00 41.25 38.83 3kk6 s ASN 537 CO 0.30 -0.84 1.79 -0.65 -2.79 0.00 0.00 177.10 174.91 3kk6 h PRO 538 N 2.97 0.81 0.00 0.43 0.11 -1.87 -1.93 132.00 132.52 3kk6 h PRO 538 Ca -0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 3kk6 h PRO 538 Cb 1.24 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kk6 h PRO 538 CO 0.64 0.54 -0.02 -0.84 -0.21 0.00 0.00 178.00 178.11 3kk6 h ILE 539 N 0.84 0.54 0.00 4.15 3.07 -1.91 -1.43 117.51 122.77 3kk6 h ILE 539 Ca 0.56 -0.07 -0.17 0.00 1.55 0.00 0.00 64.86 66.72 3kk6 h ILE 539 Cb 0.78 1.05 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 3kk6 h ILE 539 CO -0.35 0.02 -0.81 0.00 -1.05 0.00 0.00 178.15 175.96 3kk6 n SER 541 N -3.57 -1.78 -0.06 0.00 3.41 -0.54 -4.61 113.62 106.48 3kk6 n SER 541 Ca -0.01 0.24 0.02 0.00 -0.26 0.00 0.00 58.87 58.87 3kk6 n SER 541 Cb 0.78 -1.21 0.36 0.00 -0.26 0.00 0.00 64.21 63.88 3kk6 n SER 541 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kk6 h PRO 542 N -1.75 0.66 -0.41 4.33 0.11 -1.90 -1.68 132.00 131.37 3kk6 h PRO 542 Ca -0.46 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 3kk6 h PRO 542 Cb 1.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kk6 h PRO 542 CO 0.37 0.46 -0.35 1.49 -0.21 0.00 0.00 178.00 179.76 3kk6 h GLU 543 N 0.68 0.96 0.00 1.05 4.57 -1.90 -3.36 114.58 116.59 3kk6 h GLU 543 Ca 0.18 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3kk6 h GLU 543 Cb -0.03 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3kk6 h GLU 543 CO -0.03 1.15 -1.26 0.66 -1.18 0.00 0.00 179.01 178.34 3kk6 n TYR 544 N -4.07 0.38 -1.07 0.92 0.53 -1.07 -4.47 117.16 108.31 3kk6 n TYR 544 Ca -0.02 0.11 -0.18 0.00 -1.02 0.00 0.00 57.90 56.80 3kk6 n TYR 544 Cb 0.53 -0.58 -0.03 0.00 -1.03 0.00 0.00 39.34 38.23 3kk6 n TYR 544 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 3kk6 n TRP 545 N -2.21 1.19 -3.06 -0.72 -0.00 -0.65 -4.76 117.44 107.23 3kk6 n TRP 545 Ca 0.00 -1.79 -0.18 0.00 -0.00 0.00 0.00 57.50 55.52 3kk6 n TRP 545 Cb 0.50 -1.14 0.03 0.00 -0.00 0.00 0.00 31.31 30.69 3kk6 n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3kk6 s LYS 546 N -1.21 2.61 0.07 5.87 1.02 -1.26 -5.03 119.74 121.81 3kk6 s LYS 546 Ca 0.42 -1.42 0.06 0.00 0.02 0.00 0.00 55.97 55.05 3kk6 s LYS 546 Cb 0.28 -2.69 -0.23 0.00 -0.52 0.00 0.00 37.83 34.67 3kk6 s LYS 546 CO -0.08 -0.49 1.10 0.00 -0.92 0.00 0.00 175.35 174.96 3kk6 h ALA 547 N 0.49 0.40 0.00 5.17 0.00 -1.90 -3.27 119.26 120.15 3kk6 h ALA 547 Ca -0.36 -1.04 -0.01 0.00 0.00 0.00 0.00 54.91 53.50 3kk6 h ALA 547 Cb 1.28 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kk6 h ALA 547 CO 0.44 1.28 -0.05 0.66 0.00 0.00 0.00 179.25 181.58 3kk6 h SER 548 N 0.01 0.00 0.82 0.00 4.64 -1.94 -1.26 113.55 115.82 3kk6 h SER 548 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3kk6 h SER 548 Cb 1.86 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3kk6 h SER 548 CO 0.13 0.05 -0.04 0.74 -0.87 0.00 0.00 176.83 176.84 3kk6 h THR 549 N 0.00 0.13 -0.20 2.95 2.02 -1.85 -2.64 112.91 113.32 3kk6 h THR 549 Ca -0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3kk6 h THR 549 Cb 0.60 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3kk6 h THR 549 CO 0.01 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.43 3kk6 n PHE 550 N -3.18 0.50 -2.20 3.16 3.72 -0.99 -4.92 117.46 113.55 3kk6 n PHE 550 Ca -0.00 -0.73 -0.04 0.00 -0.05 0.00 0.00 57.45 56.63 3kk6 n PHE 550 Cb 0.29 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.69 3kk6 n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kk6 n GLY 551 N -0.37 0.30 2.86 1.37 0.00 -0.99 -3.80 105.19 104.57 3kk6 n GLY 551 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kk6 n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk6 n GLY 552 N -1.18 -2.17 0.18 -0.02 0.00 -0.51 -4.21 105.19 97.28 3kk6 n GLY 552 Ca -0.05 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.26 3kk6 n GLY 552 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kk6 h GLU 553 N 0.00 0.00 -0.11 1.61 4.39 -1.91 -3.02 114.58 115.54 3kk6 h GLU 553 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 3kk6 h GLU 553 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3kk6 h GLU 553 CO 0.00 0.39 -0.06 0.28 -1.16 0.00 0.00 179.01 178.46 3kk6 h VAL 554 N 0.00 0.80 0.00 3.13 2.07 -1.90 -0.57 116.25 119.78 3kk6 h VAL 554 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3kk6 h VAL 554 Cb 0.88 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3kk6 h VAL 554 CO 0.05 0.00 -0.28 1.23 0.02 0.00 0.00 177.57 178.60 3kk6 h GLY 555 N -0.06 0.00 1.70 2.17 0.00 -1.65 -3.05 103.07 102.18 3kk6 h GLY 555 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3kk6 h GLY 555 CO -0.15 0.00 -0.21 0.33 0.00 0.00 0.00 176.54 176.51 3kk6 n PHE 556 N -3.24 0.73 0.01 5.60 7.35 -0.98 -3.48 117.46 123.45 3kk6 n PHE 556 Ca 0.02 0.21 -0.16 0.00 -0.76 0.00 0.00 57.45 56.76 3kk6 n PHE 556 Cb 0.57 -0.81 -0.14 0.00 0.35 0.00 0.00 39.48 39.45 3kk6 n PHE 556 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3kk6 h ASN 557 N 0.00 0.28 -0.12 -2.13 2.35 -1.04 -3.25 115.58 111.67 3kk6 h ASN 557 Ca 0.00 -0.54 0.03 0.00 -0.55 0.00 0.00 56.30 55.25 3kk6 h ASN 557 Cb 0.72 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3kk6 h ASN 557 CO 0.00 1.47 0.09 -0.07 -1.65 0.00 0.00 177.43 177.28 3kk6 h LEU 558 N 0.05 0.00 0.11 1.61 3.38 -1.57 -1.20 115.31 117.69 3kk6 h LEU 558 Ca -0.33 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.37 3kk6 h LEU 558 Cb 2.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 3kk6 h LEU 558 CO 0.11 0.00 -1.27 0.58 0.09 0.00 0.00 178.44 177.94 3kk6 h VAL 559 N 0.00 1.45 0.00 1.22 2.07 -1.67 -2.91 116.25 116.41 3kk6 h VAL 559 Ca 0.06 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 64.52 3kk6 h VAL 559 Cb 0.24 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3kk6 h VAL 559 CO -0.00 0.88 -0.09 0.29 0.02 0.00 0.00 177.57 178.67 3kk6 n LYS 560 N -3.48 0.20 -0.08 1.57 5.02 -0.64 -3.45 118.16 117.31 3kk6 n LYS 560 Ca -0.09 0.14 0.07 0.00 -2.02 0.00 0.00 58.31 56.41 3kk6 n LYS 560 Cb 1.02 -1.71 0.10 0.00 -0.02 0.00 0.00 35.03 34.42 3kk6 n LYS 560 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kk6 n THR 561 N -2.04 1.55 -1.84 -0.18 -2.24 -0.55 -5.04 114.28 103.94 3kk6 n THR 561 Ca 0.06 -1.82 -0.42 0.00 -2.27 0.00 0.00 64.05 59.59 3kk6 n THR 561 Cb 0.41 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 3kk6 n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk6 s ALA 562 N -2.25 3.80 0.04 6.98 0.00 -1.10 -4.99 121.76 124.25 3kk6 s ALA 562 Ca 0.22 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.61 3kk6 s ALA 562 Cb 0.20 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3kk6 s ALA 562 CO 0.02 -0.95 -0.06 0.99 0.00 0.00 0.00 175.76 175.76 3kk6 s THR 563 N 1.68 0.39 0.40 0.00 2.01 -1.26 -4.54 115.64 114.32 3kk6 s THR 563 Ca 0.74 -1.16 0.31 0.00 0.31 0.00 0.00 61.69 61.89 3kk6 s THR 563 Cb -0.45 -0.66 0.33 0.00 0.01 0.00 0.00 72.50 71.73 3kk6 s THR 563 CO 0.32 -0.51 2.10 0.25 -0.69 0.00 0.00 174.62 176.09 3kk6 h LEU 564 N 4.30 0.00 0.11 4.42 5.85 -1.94 -0.82 115.31 127.23 3kk6 h LEU 564 Ca -0.34 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.11 3kk6 h LEU 564 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3kk6 h LEU 564 CO 0.45 0.09 -1.23 0.50 -0.34 0.00 0.00 178.44 177.90 3kk6 h LYS 565 N 0.00 0.23 0.00 1.25 3.64 -1.96 -3.23 116.57 116.50 3kk6 h LYS 565 Ca -0.00 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3kk6 h LYS 565 Cb 0.32 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3kk6 h LYS 565 CO 0.01 1.18 -0.42 0.87 -2.27 0.00 0.00 179.45 178.82 3kk6 h LYS 566 N 0.06 0.00 0.00 1.90 1.57 -1.84 -1.97 116.57 116.29 3kk6 h LYS 566 Ca -0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3kk6 h LYS 566 Cb 1.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 3kk6 h LYS 566 CO 0.19 0.09 -0.14 1.25 -0.57 0.00 0.00 179.45 180.27 3kk6 h LEU 567 N 0.00 0.00 0.00 2.94 5.85 -1.21 -3.15 115.31 119.74 3kk6 h LEU 567 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3kk6 h LEU 567 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3kk6 h LEU 567 CO 0.01 0.14 -1.32 0.52 -0.34 0.00 0.00 178.44 177.46 3kk6 n VAL 568 N -3.25 1.38 -0.33 1.05 0.31 -1.21 -4.58 118.33 111.69 3kk6 n VAL 568 Ca 0.01 0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 3kk6 n VAL 568 Cb 0.42 -2.07 0.09 0.00 -0.91 0.00 0.00 33.84 31.37 3kk6 n VAL 568 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kk6 h LEU 570 N 1.25 0.00 0.00 0.00 4.07 -1.75 -2.11 115.31 116.77 3kk6 h LEU 570 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.27 3kk6 h LEU 570 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3kk6 h LEU 570 CO -0.05 0.12 -0.78 0.59 -1.08 0.00 0.00 178.44 177.23 3kk6 n ASN 571 N -3.82 0.78 -4.11 -0.43 5.03 -0.97 -4.96 115.26 106.78 3kk6 n ASN 571 Ca -0.02 -0.66 -0.16 0.00 0.87 0.00 0.00 54.58 54.61 3kk6 n ASN 571 Cb 0.22 0.67 0.03 0.00 -1.02 0.00 0.00 39.78 39.68 3kk6 n ASN 571 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3kk6 n THR 572 N -1.51 0.00 -0.11 3.41 -2.24 -0.79 -5.02 114.28 108.02 3kk6 n THR 572 Ca 0.05 -1.47 -0.21 0.00 -2.27 0.00 0.00 64.05 60.14 3kk6 n THR 572 Cb 0.33 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 3kk6 n THR 572 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3kk6 n LYS 573 N -1.75 0.51 -3.45 -0.78 0.00 -1.26 -4.97 118.16 106.46 3kk6 n LYS 573 Ca 0.07 0.22 -0.30 0.00 -0.00 0.00 0.00 58.31 58.30 3kk6 n LYS 573 Cb 0.44 -1.36 -0.04 0.00 -0.00 0.00 0.00 35.03 34.07 3kk6 n LYS 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3kk6 s THR 574 N -2.55 5.03 -0.39 0.58 2.01 -1.26 -5.07 115.64 113.99 3kk6 s THR 574 Ca -0.32 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 3kk6 s THR 574 Cb 0.11 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 69.01 3kk6 s THR 574 CO 0.42 -0.15 0.20 0.00 -0.69 0.00 0.00 174.62 174.40 3kk6 n PRO 576 N 4.88 1.03 -3.16 0.00 -0.05 -1.26 -5.03 135.00 131.41 3kk6 n PRO 576 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 62.93 3kk6 n PRO 576 Cb 0.44 0.00 -0.07 0.00 -0.05 0.00 0.00 33.50 33.82 3kk6 n PRO 576 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 175.50 174.98 3kk6 s TYR 577 N 0.17 3.15 -0.13 0.54 5.04 -1.26 -4.99 117.35 119.87 3kk6 s TYR 577 Ca 0.00 0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 3kk6 s TYR 577 Cb 0.00 -3.09 0.02 0.00 0.35 0.00 0.00 41.96 39.24 3kk6 s TYR 577 CO 0.00 -0.62 -0.14 0.54 -1.34 0.00 0.00 175.55 173.99 3kk6 s VAL 578 N 2.61 1.46 0.12 3.14 0.11 -1.26 -3.94 120.40 122.64 3kk6 s VAL 578 Ca 0.22 -0.59 -0.25 0.00 -2.93 0.00 0.00 61.98 58.44 3kk6 s VAL 578 Cb -0.15 -1.37 0.08 0.00 -1.53 0.00 0.00 36.38 33.41 3kk6 s VAL 578 CO 0.15 0.44 1.10 -0.55 -3.33 0.00 0.00 175.10 172.90 3kk6 s SER 579 N 1.32 -0.03 0.00 3.54 0.15 -1.26 -4.74 113.70 112.68 3kk6 s SER 579 Ca 0.01 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.41 3kk6 s SER 579 Cb -0.14 0.40 0.34 0.00 -1.71 0.00 0.00 66.02 64.91 3kk6 s SER 579 CO -0.07 -0.78 1.35 0.49 1.20 0.00 0.00 173.24 175.44 3kk6 n PHE 580 N -0.67 0.27 -3.89 3.44 3.72 -1.26 -4.43 117.46 114.64 3kk6 n PHE 580 Ca -0.03 -0.14 -0.11 0.00 -0.05 0.00 0.00 57.45 57.12 3kk6 n PHE 580 Cb 0.60 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.02 3kk6 n PHE 580 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 3kk6 s HIS 581 N -1.73 0.06 0.96 1.38 -3.43 -1.26 -2.37 115.29 108.89 3kk6 s HIS 581 Ca 0.34 -0.11 -0.11 0.00 -0.80 0.00 0.00 55.06 54.38 3kk6 s HIS 581 Cb 0.22 -0.06 0.14 0.00 -1.43 0.00 0.00 32.58 31.45 3kk6 s HIS 581 CO 0.31 -0.13 0.96 1.33 -2.00 0.00 0.00 174.74 175.21 3kk6 n VAL 582 N 2.30 0.00 0.16 -5.38 0.24 -0.57 -4.83 118.33 110.25 3kk6 n VAL 582 Ca -0.18 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 3kk6 n VAL 582 Cb 0.57 -0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 31.95 3kk6 n VAL 582 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3kk6 h PRO 583 N -1.92 -0.70 0.00 7.34 0.11 -1.89 -3.49 132.00 131.45 3kk6 h PRO 583 Ca -0.45 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kk6 h PRO 583 Cb 1.28 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.55 3kk6 h PRO 583 CO 0.40 -0.47 0.00 -3.47 -0.21 0.00 0.00 178.00 174.26