#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk0 n ARG 7 N 0.00 3.11 -1.18 -1.46 1.74 -1.26 -5.02 116.66 112.58 1kk0 n ARG 7 Ca 0.00 -2.52 -0.29 0.00 -0.77 0.00 0.00 57.85 54.27 1kk0 n ARG 7 Cb 0.00 -1.60 0.16 0.00 -1.02 0.00 0.00 32.46 29.99 1kk0 n ARG 7 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1kk0 s GLN 8 N -1.74 0.88 0.50 5.56 -2.07 -1.26 -4.67 119.66 116.86 1kk0 s GLN 8 Ca 0.37 0.69 -0.23 0.00 -1.82 0.00 0.00 55.36 54.37 1kk0 s GLN 8 Cb 0.24 -1.78 -0.07 0.00 -1.09 0.00 0.00 33.01 30.31 1kk0 s GLN 8 CO 0.17 -2.47 1.23 0.00 -1.32 0.00 0.00 175.29 172.90 1kk0 n ALA 9 N -4.02 1.13 -0.03 2.60 0.00 -1.26 -4.51 120.51 114.41 1kk0 n ALA 9 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1kk0 n ALA 9 Cb 0.56 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 1kk0 n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kk0 n GLU 10 N -0.49 1.19 -3.92 0.00 1.02 -0.46 -4.36 120.64 113.61 1kk0 n GLU 10 Ca 0.09 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1kk0 n GLU 10 Cb 0.43 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 1kk0 n GLU 10 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1kk0 s VAL 11 N -2.61 0.11 -0.17 2.62 -7.23 -1.26 -4.58 120.40 107.28 1kk0 s VAL 11 Ca -0.05 -0.93 -0.06 0.00 -1.81 0.00 0.00 61.98 59.13 1kk0 s VAL 11 Cb 0.06 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 1kk0 s VAL 11 CO 0.53 -0.51 0.01 0.20 -0.31 0.00 0.00 175.10 175.02 1kk0 s ASN 12 N -1.73 5.21 -0.23 4.85 0.01 -1.26 -1.20 114.94 120.58 1kk0 s ASN 12 Ca -0.11 -0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.00 1kk0 s ASN 12 Cb -0.05 -1.87 0.03 0.00 0.41 0.00 0.00 41.25 39.76 1kk0 s ASN 12 CO -0.02 0.16 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.01 1kk0 s ILE 13 N 0.42 2.66 0.00 0.60 1.01 0.10 -1.10 121.20 124.90 1kk0 s ILE 13 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1kk0 s ILE 13 Cb -0.13 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1kk0 s ILE 13 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1kk0 n GLY 14 N 4.64 -0.41 0.00 6.18 0.00 -0.25 -1.24 105.19 114.11 1kk0 n GLY 14 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1kk0 n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kk0 n VAL 16 N 0.00 0.00 -3.65 1.61 0.31 -0.39 -0.56 118.33 115.65 1kk0 n VAL 16 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1kk0 n VAL 16 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1kk0 n VAL 16 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1kk0 s GLY 17 N 0.00 -0.16 0.34 2.92 0.00 -1.26 -0.63 107.32 108.53 1kk0 s GLY 17 Ca 0.00 2.05 -0.29 0.00 0.00 0.00 0.00 44.72 46.49 1kk0 s GLY 17 CO 0.00 0.70 1.48 1.57 0.00 0.00 0.00 173.10 176.85 1kk0 n HIS 18 N 0.06 2.78 0.00 1.90 -0.00 -1.26 -4.75 115.22 113.95 1kk0 n HIS 18 Ca 0.05 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.18 1kk0 n HIS 18 Cb 0.57 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 1kk0 n HIS 18 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1kk0 n VAL 19 N 0.97 0.00 -1.59 3.57 0.24 -1.26 -1.88 118.33 118.38 1kk0 n VAL 19 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1kk0 n VAL 19 Cb 0.37 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 1kk0 n VAL 19 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1kk0 n ASP 20 N -0.36 0.00 -1.87 -1.34 5.68 -1.26 -4.67 116.55 112.74 1kk0 n ASP 20 Ca 0.00 -1.27 -0.17 0.00 -0.50 0.00 0.00 54.79 52.85 1kk0 n ASP 20 Cb 0.00 -0.05 0.13 0.00 -1.14 0.00 0.00 41.12 40.05 1kk0 n ASP 20 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1kk0 n HIS 21 N 0.00 2.17 -0.00 2.11 8.25 -0.79 -4.75 115.22 122.21 1kk0 n HIS 21 Ca 0.00 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 55.99 1kk0 n HIS 21 Cb 0.55 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1kk0 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kk0 n GLY 22 N -0.66 0.44 0.33 -1.41 0.00 -1.26 -4.61 105.19 98.03 1kk0 n GLY 22 Ca 0.42 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.55 1kk0 n GLY 22 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kk0 h LYS 23 N 3.72 0.03 -0.12 1.61 3.64 -1.86 0.92 116.57 124.52 1kk0 h LYS 23 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1kk0 h LYS 23 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1kk0 h LYS 23 CO 0.00 0.02 -0.17 1.15 -2.27 0.00 0.00 179.45 178.18 1kk0 h THR 24 N 0.03 1.37 -0.65 1.00 2.02 -1.89 -1.26 112.91 113.53 1kk0 h THR 24 Ca 0.53 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1kk0 h THR 24 Cb 1.01 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 1kk0 h THR 24 CO -0.88 0.40 0.30 0.74 0.37 0.00 0.00 175.52 176.45 1kk0 h THR 25 N -0.08 1.22 -0.23 3.16 2.02 -1.48 -1.76 112.91 115.76 1kk0 h THR 25 Ca 0.01 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 1kk0 h THR 25 Cb 0.73 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1kk0 h THR 25 CO 0.04 0.26 -0.13 0.25 0.37 0.00 0.00 175.52 176.31 1kk0 h LEU 26 N 0.92 0.51 -0.69 2.58 5.85 0.85 -1.22 115.31 124.10 1kk0 h LEU 26 Ca 0.23 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1kk0 h LEU 26 Cb 0.12 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1kk0 h LEU 26 CO -0.03 0.82 0.45 0.74 -0.34 0.00 0.00 178.44 180.08 1kk0 h THR 27 N 0.20 1.15 -0.25 1.05 2.02 -0.97 -1.16 112.91 114.94 1kk0 h THR 27 Ca 0.05 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 1kk0 h THR 27 Cb 0.64 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1kk0 h THR 27 CO 0.04 0.17 -0.33 0.11 0.37 0.00 0.00 175.52 175.87 1kk0 h LYS 28 N 0.91 0.53 -0.60 6.66 1.57 -1.29 0.41 116.57 124.76 1kk0 h LYS 28 Ca 0.26 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1kk0 h LYS 28 Cb -0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1kk0 h LYS 28 CO -0.07 0.80 0.20 0.00 -0.57 0.00 0.00 179.45 179.81 1kk0 h ALA 29 N 1.19 1.23 0.04 3.86 0.00 -0.58 0.47 119.26 125.47 1kk0 h ALA 29 Ca 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1kk0 h ALA 29 Cb 0.79 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1kk0 h ALA 29 CO 0.06 0.55 -1.05 -0.07 0.00 0.00 0.00 179.25 178.74 1kk0 h LEU 30 N 0.87 0.68 0.00 0.00 3.38 -0.82 -3.29 115.31 116.14 1kk0 h LEU 30 Ca 0.20 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1kk0 h LEU 30 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1kk0 h LEU 30 CO -0.01 1.39 -0.61 0.71 0.09 0.00 0.00 178.44 180.01 1kk0 h THR 31 N 0.27 0.00 0.00 0.22 1.35 -0.75 -3.44 112.91 110.56 1kk0 h THR 31 Ca -0.12 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1kk0 h THR 31 Cb 1.71 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1kk0 h THR 31 CO 0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1kk0 n GLY 32 N 1.22 0.63 3.63 5.82 0.00 0.16 -4.91 105.19 111.74 1kk0 n GLY 32 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1kk0 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk0 s VAL 33 N -2.68 4.43 0.00 1.61 1.01 -1.19 -4.84 120.40 118.73 1kk0 s VAL 33 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1kk0 s VAL 33 Cb 0.00 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1kk0 s VAL 33 CO 0.00 -0.56 0.00 -2.67 0.00 0.00 0.00 175.10 171.87 1kk0 n TRP 34 N 7.08 0.00 -2.61 5.22 4.27 -1.26 -4.77 117.44 125.37 1kk0 n TRP 34 Ca 0.12 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.32 1kk0 n TRP 34 Cb 0.47 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.38 1kk0 n TRP 34 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1kk0 s THR 35 N -0.97 4.21 -0.92 -1.67 -4.23 -1.26 -5.12 115.64 105.68 1kk0 s THR 35 Ca 0.00 1.82 -0.26 0.00 -1.18 0.00 0.00 61.69 62.07 1kk0 s THR 35 Cb 0.00 -4.16 -0.17 0.00 1.34 0.00 0.00 72.50 69.51 1kk0 s THR 35 CO 0.00 0.27 2.28 1.51 -0.54 0.00 0.00 174.62 178.14 1kk0 s ASP 36 N 0.12 3.74 0.00 3.99 -4.77 -1.26 -5.00 116.67 113.48 1kk0 s ASP 36 Ca 0.49 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 1kk0 s ASP 36 Cb -0.26 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.00 1kk0 s ASP 36 CO 0.32 -4.21 0.00 1.41 0.70 0.00 0.00 175.17 173.38 1kk0 n HIS 38 N 18.96 0.00 -2.32 2.11 -0.00 -1.26 -5.13 115.22 127.58 1kk0 n HIS 38 Ca 0.44 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.79 1kk0 n HIS 38 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.46 1kk0 n HIS 38 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1kk0 n SER 39 N 0.00 6.87 -0.31 0.41 7.64 -1.26 -3.55 113.62 123.41 1kk0 n SER 39 Ca 0.00 -3.76 0.07 0.00 1.01 0.00 0.00 58.87 56.19 1kk0 n SER 39 Cb 0.00 -0.98 -0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1kk0 n SER 39 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1kk0 n GLU 40 N -0.35 1.83 0.07 1.43 4.71 -1.26 -3.95 120.64 123.12 1kk0 n GLU 40 Ca 0.48 -0.72 0.09 0.00 -0.01 0.00 0.00 57.16 56.99 1kk0 n GLU 40 Cb 0.31 -1.21 0.38 0.00 -1.01 0.00 0.00 31.44 29.91 1kk0 n GLU 40 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1kk0 n GLU 41 N -0.19 0.09 -0.06 3.49 -0.58 -1.23 -0.17 120.64 121.99 1kk0 n GLU 41 Ca 0.06 0.38 0.12 0.00 -0.42 0.00 0.00 57.16 57.30 1kk0 n GLU 41 Cb 0.29 -1.70 0.19 0.00 -0.57 0.00 0.00 31.44 29.66 1kk0 n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1kk0 n LEU 42 N -1.88 2.92 -0.00 -4.62 4.77 -1.25 -3.97 117.00 112.97 1kk0 n LEU 42 Ca 0.02 -1.08 0.06 0.00 -0.03 0.00 0.00 56.01 54.98 1kk0 n LEU 42 Cb 0.16 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1kk0 n LEU 42 CO 0.14 0.54 -0.18 0.54 -1.33 0.00 0.00 177.39 177.11 1kk0 n ARG 43 N 1.22 2.38 -1.10 3.23 1.74 0.76 -5.03 116.66 119.87 1kk0 n ARG 43 Ca 0.16 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.88 1kk0 n ARG 43 Cb 0.56 -1.12 0.11 0.00 -1.02 0.00 0.00 32.46 30.99 1kk0 n ARG 43 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1kk0 n ARG 44 N -1.44 0.15 -1.48 5.56 0.63 -1.05 -4.96 116.66 114.07 1kk0 n ARG 44 Ca 0.01 0.12 -0.32 0.00 -0.92 0.00 0.00 57.85 56.74 1kk0 n ARG 44 Cb 0.22 -2.22 0.07 0.00 0.45 0.00 0.00 32.46 30.98 1kk0 n ARG 44 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1kk0 s GLY 45 N -1.95 1.87 0.00 5.14 0.00 -0.52 -4.94 107.32 106.92 1kk0 s GLY 45 Ca 0.69 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1kk0 s GLY 45 CO 0.55 0.72 0.48 0.29 0.00 0.00 0.00 173.10 175.13 1kk0 n ILE 46 N -3.04 0.00 -0.03 0.90 -5.35 -1.26 -4.19 119.36 106.39 1kk0 n ILE 46 Ca 0.09 -0.50 -0.03 0.00 -0.27 0.00 0.00 62.75 62.05 1kk0 n ILE 46 Cb 0.53 1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 39.42 1kk0 n ILE 46 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1kk0 n THR 47 N -0.05 0.59 -4.09 7.28 -2.24 -1.26 -4.88 114.28 109.64 1kk0 n THR 47 Ca 0.00 0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.74 1kk0 n THR 47 Cb 0.00 -1.74 -0.08 0.00 -2.10 0.00 0.00 70.33 66.42 1kk0 n THR 47 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1kk0 s ILE 48 N -1.71 4.93 -0.31 2.28 -4.36 -1.26 -5.00 121.20 115.76 1kk0 s ILE 48 Ca -0.10 -0.01 -0.03 0.00 -0.26 0.00 0.00 60.65 60.25 1kk0 s ILE 48 Cb 0.01 -3.13 0.03 0.00 1.25 0.00 0.00 42.46 40.62 1kk0 s ILE 48 CO 0.14 0.58 2.70 0.29 0.24 0.00 0.00 174.94 178.90 1kk0 n LYS 49 N 2.33 2.09 -2.59 0.37 5.02 -1.26 -4.07 118.16 120.06 1kk0 n LYS 49 Ca -0.19 -1.75 -0.41 0.00 -2.02 0.00 0.00 58.31 53.94 1kk0 n LYS 49 Cb 0.54 -1.91 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 1kk0 n LYS 49 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1kk0 s ILE 50 N -1.50 4.10 0.14 -0.18 2.07 -1.26 -4.17 121.20 120.40 1kk0 s ILE 50 Ca 0.50 1.77 0.10 0.00 -1.41 0.00 0.00 60.65 61.61 1kk0 s ILE 50 Cb 0.31 -4.13 -0.04 0.00 0.13 0.00 0.00 42.46 38.73 1kk0 s ILE 50 CO -0.11 0.28 -0.25 -0.83 -1.91 0.00 0.00 174.94 172.13 1kk0 s GLY 51 N -0.00 1.51 0.01 1.50 0.00 0.54 -1.44 107.32 109.44 1kk0 s GLY 51 Ca 0.49 -1.44 0.08 0.00 0.00 0.00 0.00 44.72 43.85 1kk0 s GLY 51 CO 0.33 -1.44 -0.26 -1.36 0.00 0.00 0.00 173.10 170.37 1kk0 s PHE 52 N -1.24 2.28 -0.24 1.90 0.40 -1.26 -1.64 117.98 118.18 1kk0 s PHE 52 Ca 0.13 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1kk0 s PHE 52 Cb -0.09 -1.42 0.10 0.00 0.51 0.00 0.00 43.02 42.12 1kk0 s PHE 52 CO 0.06 0.04 0.20 0.00 0.70 0.00 0.00 175.22 176.22 1kk0 s ALA 53 N -0.69 -0.02 0.65 5.36 0.00 -0.11 -4.96 121.76 121.99 1kk0 s ALA 53 Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1kk0 s ALA 53 Cb -0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 1kk0 s ALA 53 CO 0.00 -1.41 1.08 -0.51 0.00 0.00 0.00 175.76 174.92 1kk0 s ASP 54 N 2.26 5.32 -0.12 0.00 1.11 -1.26 -0.91 116.67 123.06 1kk0 s ASP 54 Ca 0.07 1.87 -0.15 0.00 0.18 0.00 0.00 52.55 54.52 1kk0 s ASP 54 Cb -0.15 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.34 1kk0 s ASP 54 CO -0.22 -1.49 0.40 0.00 1.18 0.00 0.00 175.17 175.04 1kk0 s ALA 55 N -2.52 -0.99 -0.30 5.23 0.00 -0.14 -4.77 121.76 118.27 1kk0 s ALA 55 Ca 0.64 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 1kk0 s ALA 55 Cb -0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1kk0 s ALA 55 CO 0.43 -0.21 0.15 -1.21 0.00 0.00 0.00 175.76 174.91 1kk0 s GLU 56 N -0.15 3.41 -0.09 0.00 2.02 -1.26 -0.88 118.70 121.74 1kk0 s GLU 56 Ca -0.03 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.00 1kk0 s GLU 56 Cb -0.03 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 1kk0 s GLU 56 CO 0.02 -0.38 0.96 0.42 0.02 0.00 0.00 175.26 176.30 1kk0 s ILE 57 N 1.62 4.83 0.26 -1.63 1.01 0.17 -4.22 121.20 123.25 1kk0 s ILE 57 Ca 0.05 1.96 0.04 0.00 0.00 0.00 0.00 60.65 62.70 1kk0 s ILE 57 Cb -0.17 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1kk0 s ILE 57 CO 0.06 0.05 -0.01 -0.13 0.00 0.00 0.00 174.94 174.91 1kk0 s ARG 58 N 1.77 1.45 -0.03 2.79 0.52 0.31 -1.29 118.95 124.47 1kk0 s ARG 58 Ca 0.47 -1.74 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1kk0 s ARG 58 Cb -0.18 -0.81 0.01 0.00 0.52 0.00 0.00 34.95 34.49 1kk0 s ARG 58 CO 0.19 -0.07 -0.05 0.50 0.02 0.00 0.00 175.30 175.89 1kk0 s ARG 59 N -3.83 0.75 -0.07 3.54 3.52 0.10 -1.74 118.95 121.22 1kk0 s ARG 59 Ca 0.30 -0.14 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 1kk0 s ARG 59 Cb 0.06 -0.75 -0.02 0.00 -1.56 0.00 0.00 34.95 32.68 1kk0 s ARG 59 CO 0.11 -0.02 1.07 0.00 -0.81 0.00 0.00 175.30 175.65 1kk0 h PRO 61 N 7.14 0.00 0.07 0.00 0.11 -1.91 0.14 132.00 137.55 1kk0 h PRO 61 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1kk0 h PRO 61 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1kk0 h PRO 61 CO 0.85 0.48 -0.03 -0.97 -0.21 0.00 0.00 178.00 178.11 1kk0 h ASN 62 N 0.00 -0.08 -0.00 -2.05 -0.00 -1.91 -3.39 115.58 108.14 1kk0 h ASN 62 Ca -0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 56.30 55.78 1kk0 h ASN 62 Cb 0.96 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.30 1kk0 h ASN 62 CO 0.06 0.60 -0.47 0.00 -0.00 0.00 0.00 177.43 177.62 1kk0 n GLY 64 N 1.19 0.98 3.82 0.00 0.00 0.48 -5.02 105.19 106.64 1kk0 n GLY 64 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1kk0 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kk0 s ARG 65 N -0.13 4.21 0.22 1.61 0.52 -1.26 -4.63 118.95 119.50 1kk0 s ARG 65 Ca 0.00 0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 56.05 1kk0 s ARG 65 Cb 0.00 -2.51 -0.07 0.00 0.52 0.00 0.00 34.95 32.89 1kk0 s ARG 65 CO 0.00 0.17 0.54 0.71 0.02 0.00 0.00 175.30 176.74 1kk0 s TYR 66 N -1.89 3.43 0.39 -0.53 1.51 -1.26 -1.71 117.35 117.30 1kk0 s TYR 66 Ca 0.54 0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 57.33 1kk0 s TYR 66 Cb -0.12 -2.25 0.05 0.00 -0.11 0.00 0.00 41.96 39.53 1kk0 s TYR 66 CO 0.18 0.29 0.76 -1.54 -1.11 0.00 0.00 175.55 174.12 1kk0 s SER 67 N -2.33 0.18 -0.22 2.29 1.04 -0.71 -4.33 113.70 109.62 1kk0 s SER 67 Ca 0.47 -1.26 0.13 0.00 0.48 0.00 0.00 55.95 55.76 1kk0 s SER 67 Cb -0.11 0.85 0.45 0.00 0.10 0.00 0.00 66.02 67.30 1kk0 s SER 67 CO 0.21 -1.69 1.34 0.35 0.98 0.00 0.00 173.24 174.43 1kk0 n THR 68 N -0.55 2.29 -4.49 2.02 -2.24 -1.26 -0.53 114.28 109.52 1kk0 n THR 68 Ca -0.08 -2.60 -0.27 0.00 -2.27 0.00 0.00 64.05 58.83 1kk0 n THR 68 Cb 0.60 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.42 1kk0 n THR 68 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1kk0 s SER 69 N -2.65 2.92 0.49 3.42 0.15 -1.26 -4.57 113.70 112.18 1kk0 s SER 69 Ca 0.40 -0.66 0.32 0.00 0.70 0.00 0.00 55.95 56.71 1kk0 s SER 69 Cb 0.36 -0.20 1.48 0.00 -1.71 0.00 0.00 66.02 65.95 1kk0 s SER 69 CO 0.01 0.15 1.97 -0.65 1.20 0.00 0.00 173.24 175.92 1kk0 h PRO 70 N 4.27 0.00 -5.09 5.44 0.11 -1.93 -3.40 132.00 131.40 1kk0 h PRO 70 Ca -0.47 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.97 1kk0 h PRO 70 Cb 1.17 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 1kk0 h PRO 70 CO 0.41 0.00 -0.83 0.08 -0.21 0.00 0.00 178.00 177.45 1kk0 s VAL 71 N -3.67 2.39 0.05 3.15 1.01 -1.26 -1.27 120.40 120.79 1kk0 s VAL 71 Ca 0.00 -0.84 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 1kk0 s VAL 71 Cb 0.10 -2.02 -0.12 0.00 0.00 0.00 0.00 36.38 34.34 1kk0 s VAL 71 CO 0.45 0.52 1.81 0.00 0.00 0.00 0.00 175.10 177.87 1kk0 h PRO 73 N 8.37 0.00 0.00 0.00 0.11 -1.91 -0.68 132.00 137.89 1kk0 h PRO 73 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 1kk0 h PRO 73 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1kk0 h PRO 73 CO 0.93 0.00 -1.95 0.66 -0.21 0.00 0.00 178.00 177.43 1kk0 n TYR 74 N -3.05 0.49 0.00 0.65 4.02 -1.26 -4.69 117.16 113.32 1kk0 n TYR 74 Ca -0.00 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1kk0 n TYR 74 Cb 0.24 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.53 1kk0 n TYR 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1kk0 n GLY 76 N 0.41 0.90 3.87 0.00 0.00 -0.26 -5.02 105.19 105.09 1kk0 n GLY 76 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1kk0 n GLY 76 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kk0 s HIS 77 N -3.37 3.62 0.16 1.61 3.76 -1.26 -4.57 115.29 115.24 1kk0 s HIS 77 Ca 0.00 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 55.88 1kk0 s HIS 77 Cb 0.00 -2.70 -0.08 0.00 1.11 0.00 0.00 32.58 30.91 1kk0 s HIS 77 CO 0.00 -0.65 1.28 -1.21 -0.85 0.00 0.00 174.74 173.31 1kk0 s GLU 78 N -5.10 4.41 0.44 1.40 2.02 -1.26 -0.15 118.70 120.45 1kk0 s GLU 78 Ca 0.55 1.98 -0.02 0.00 0.02 0.00 0.00 54.97 57.50 1kk0 s GLU 78 Cb -0.11 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 1kk0 s GLU 78 CO 0.52 -0.25 0.68 0.95 0.02 0.00 0.00 175.26 177.19 1kk0 s THR 79 N 0.37 4.55 -0.08 3.63 -4.23 -0.39 -4.39 115.64 115.09 1kk0 s THR 79 Ca 0.57 -0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1kk0 s THR 79 Cb -0.35 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 1kk0 s THR 79 CO 0.35 -0.55 0.03 -1.61 -0.54 0.00 0.00 174.62 172.29 1kk0 s GLU 80 N -4.57 3.05 0.26 3.99 2.02 0.49 -4.86 118.70 119.08 1kk0 s GLU 80 Ca 0.46 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 1kk0 s GLU 80 Cb -0.10 -2.85 -0.11 0.00 0.10 0.00 0.00 34.13 31.17 1kk0 s GLU 80 CO 0.40 0.71 1.53 0.12 0.02 0.00 0.00 175.26 178.04 1kk0 s PHE 81 N -0.93 2.90 0.05 1.61 5.36 -1.26 -0.72 117.98 124.99 1kk0 s PHE 81 Ca 0.14 0.85 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 1kk0 s PHE 81 Cb -0.11 -3.95 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 1kk0 s PHE 81 CO 0.03 -3.21 -0.05 0.28 -1.46 0.00 0.00 175.22 170.82 1kk0 n VAL 82 N 2.50 1.17 -3.59 3.12 0.31 -0.41 -4.86 118.33 116.56 1kk0 n VAL 82 Ca 0.08 0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 64.63 1kk0 n VAL 82 Cb 0.39 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.57 1kk0 n VAL 82 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1kk0 s ARG 83 N -2.12 0.66 -0.08 5.55 3.52 -0.86 -5.01 118.95 120.61 1kk0 s ARG 83 Ca -0.04 0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 1kk0 s ARG 83 Cb 0.01 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1kk0 s ARG 83 CO 0.06 -0.16 0.14 0.50 -0.81 0.00 0.00 175.30 175.02 1kk0 s ARG 84 N -0.60 3.38 0.22 5.12 3.52 -1.26 0.45 118.95 129.77 1kk0 s ARG 84 Ca -0.02 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1kk0 s ARG 84 Cb -0.02 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1kk0 s ARG 84 CO 0.01 0.74 0.10 0.14 -0.81 0.00 0.00 175.30 175.47 1kk0 s VAL 85 N -1.10 0.30 -0.05 7.11 -7.23 -0.06 -1.35 120.40 118.01 1kk0 s VAL 85 Ca 0.19 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1kk0 s VAL 85 Cb -0.12 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.35 1kk0 s VAL 85 CO 0.08 -0.08 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.16 1kk0 s SER 86 N -3.22 1.34 -0.12 4.85 0.15 -0.34 -0.96 113.70 115.40 1kk0 s SER 86 Ca 0.36 -0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.65 1kk0 s SER 86 Cb 0.07 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 1kk0 s SER 86 CO 0.11 -0.00 0.35 -0.36 1.20 0.00 0.00 173.24 174.54 1kk0 s PHE 87 N 0.74 3.53 0.00 3.44 0.40 -0.09 0.02 117.98 126.03 1kk0 s PHE 87 Ca -0.13 0.74 0.04 0.00 -0.60 0.00 0.00 56.93 56.98 1kk0 s PHE 87 Cb -0.15 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.98 1kk0 s PHE 87 CO 0.02 0.32 -0.09 0.96 0.70 0.00 0.00 175.22 177.12 1kk0 s ILE 88 N 0.15 3.45 0.27 0.64 -4.36 -0.37 -0.93 121.20 120.05 1kk0 s ILE 88 Ca 0.20 -0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 59.66 1kk0 s ILE 88 Cb -0.14 -2.48 -0.00 0.00 1.25 0.00 0.00 42.46 41.09 1kk0 s ILE 88 CO 0.07 0.41 0.46 1.51 0.24 0.00 0.00 174.94 177.63 1kk0 s ASP 89 N -1.35 0.17 0.04 4.36 -4.77 -0.65 -4.40 116.67 110.06 1kk0 s ASP 89 Ca 0.16 -1.11 -0.05 0.00 -3.30 0.00 0.00 52.55 48.25 1kk0 s ASP 89 Cb -0.11 0.60 -0.01 0.00 -1.09 0.00 0.00 42.92 42.30 1kk0 s ASP 89 CO 0.06 -1.17 0.08 0.00 0.70 0.00 0.00 175.17 174.84 1kk0 s ALA 90 N -3.73 0.00 -0.89 2.11 0.00 -1.26 -0.34 121.76 117.66 1kk0 s ALA 90 Ca 0.26 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 1kk0 s ALA 90 Cb -0.00 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 1kk0 s ALA 90 CO 0.12 -0.33 1.69 -2.14 0.00 0.00 0.00 175.76 175.10 1kk0 s PRO 91 N -2.81 3.00 0.00 0.00 0.02 -1.26 -4.71 135.00 129.24 1kk0 s PRO 91 Ca -0.03 -0.46 0.00 0.00 0.02 0.00 0.00 61.00 60.53 1kk0 s PRO 91 Cb -0.00 -4.99 0.00 0.00 0.02 0.00 0.00 34.50 29.53 1kk0 s PRO 91 CO -0.06 -2.75 0.00 0.41 -0.33 0.00 0.00 177.00 174.27 1kk0 n GLY 92 N 6.56 0.27 0.20 0.52 0.00 -1.26 -4.40 105.19 107.07 1kk0 n GLY 92 Ca 0.31 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 1kk0 n GLY 92 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1kk0 h HIS 93 N 0.00 -0.37 -0.29 1.61 -0.00 -1.94 -2.12 115.15 112.03 1kk0 h HIS 93 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1kk0 h HIS 93 Cb 0.00 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 1kk0 h HIS 93 CO 0.00 -0.22 0.14 0.93 -0.00 0.00 0.00 177.93 178.78 1kk0 h GLU 94 N -0.17 0.29 -0.42 5.26 4.39 -1.99 -2.86 114.58 119.07 1kk0 h GLU 94 Ca 0.10 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1kk0 h GLU 94 Cb 0.32 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1kk0 h GLU 94 CO -0.25 0.19 0.25 0.00 -1.16 0.00 0.00 179.01 178.04 1kk0 h ALA 95 N 1.15 0.53 0.00 3.43 0.00 -1.73 -1.62 119.26 121.01 1kk0 h ALA 95 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kk0 h ALA 95 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kk0 h ALA 95 CO -0.08 -0.08 0.00 -0.11 0.00 0.00 0.00 179.25 178.98 1kk0 n LEU 96 N -4.85 0.07 0.00 0.00 7.94 -0.81 -0.93 117.00 118.41 1kk0 n LEU 96 Ca 0.02 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1kk0 n LEU 96 Cb 0.06 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1kk0 n LEU 96 CO 0.32 0.01 0.00 0.41 -1.11 0.00 0.00 177.39 177.03 1kk0 n THR 98 N 0.58 0.00 0.06 1.96 -1.04 -0.61 -4.67 114.28 110.55 1kk0 n THR 98 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kk0 n THR 98 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1kk0 n THR 98 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1kk0 n THR 99 N 0.00 0.01 0.00 12.58 -1.04 -0.11 -1.02 114.28 124.69 1kk0 n THR 99 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kk0 n THR 99 Cb 0.00 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 1kk0 n THR 99 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kk0 n LEU 101 N 0.52 0.00 0.03 -4.42 4.77 -1.26 -0.12 117.00 116.52 1kk0 n LEU 101 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1kk0 n LEU 101 Cb 0.02 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 1kk0 n LEU 101 CO 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 177.39 175.82 1kk0 h ALA 102 N 0.00 0.47 -1.47 -1.18 0.00 -1.32 -3.41 119.26 112.36 1kk0 h ALA 102 Ca 0.00 -1.17 -0.48 0.00 0.00 0.00 0.00 54.91 53.26 1kk0 h ALA 102 Cb 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 17.79 17.59 1kk0 h ALA 102 CO 0.00 1.33 -0.97 0.41 0.00 0.00 0.00 179.25 180.02 1kk0 n GLY 103 N 1.53 3.81 0.36 0.00 0.00 0.84 -1.29 105.19 110.43 1kk0 n GLY 103 Ca -0.11 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.03 1kk0 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk0 h ALA 104 N 2.85 2.16 0.00 4.61 0.00 -1.81 -0.37 119.26 126.70 1kk0 h ALA 104 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kk0 h ALA 104 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1kk0 h ALA 104 CO 0.66 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1kk0 n SER 105 N -4.45 0.00 -2.22 0.00 3.41 -1.26 -4.71 113.62 104.39 1kk0 n SER 105 Ca 0.10 0.31 -0.24 0.00 -0.26 0.00 0.00 58.87 58.78 1kk0 n SER 105 Cb 0.44 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1kk0 n SER 105 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kk0 n LEU 106 N -1.39 6.75 0.00 1.04 4.77 -0.15 -4.89 117.00 123.13 1kk0 n LEU 106 Ca 0.04 -3.80 0.00 0.00 -0.03 0.00 0.00 56.01 52.22 1kk0 n LEU 106 Cb 0.11 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1kk0 n LEU 106 CO 0.09 1.46 0.00 0.47 -1.33 0.00 0.00 177.39 178.08 1kk0 n ASP 108 N 0.24 0.00 -3.69 -1.43 8.00 -0.26 -4.60 116.55 114.81 1kk0 n ASP 108 Ca 0.43 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.95 1kk0 n ASP 108 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1kk0 n ASP 108 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1kk0 s GLY 109 N 0.00 -0.27 0.03 0.44 0.00 -1.18 -4.66 107.32 101.68 1kk0 s GLY 109 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.93 1kk0 s GLY 109 CO 0.00 2.56 0.36 0.00 0.00 0.00 0.00 173.10 176.02 1kk0 s ALA 110 N -2.23 -0.88 -0.26 3.20 0.00 -0.60 -1.09 121.76 119.90 1kk0 s ALA 110 Ca 0.21 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1kk0 s ALA 110 Cb 0.02 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1kk0 s ALA 110 CO -0.02 -0.39 -0.01 0.42 0.00 0.00 0.00 175.76 175.75 1kk0 s ILE 111 N -2.17 3.26 -0.43 0.00 1.01 0.28 -1.41 121.20 121.74 1kk0 s ILE 111 Ca -0.07 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 1kk0 s ILE 111 Cb -0.02 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.81 1kk0 s ILE 111 CO -0.01 0.17 0.68 -0.22 0.00 0.00 0.00 174.94 175.56 1kk0 s LEU 112 N 1.39 4.40 -0.17 2.97 2.96 0.48 -1.26 118.68 129.45 1kk0 s LEU 112 Ca 0.01 -0.21 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 1kk0 s LEU 112 Cb -0.17 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 1kk0 s LEU 112 CO -0.02 -0.79 0.66 -0.69 -1.32 0.00 0.00 176.35 174.19 1kk0 s VAL 113 N 2.93 5.01 -0.08 1.68 1.01 0.20 -0.67 120.40 130.48 1kk0 s VAL 113 Ca 0.25 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1kk0 s VAL 113 Cb -0.14 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1kk0 s VAL 113 CO 0.19 0.13 -0.05 -0.63 0.00 0.00 0.00 175.10 174.74 1kk0 s ILE 114 N 1.68 0.76 -0.05 2.22 1.01 -0.27 -4.48 121.20 122.07 1kk0 s ILE 114 Ca 0.31 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1kk0 s ILE 114 Cb -0.16 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1kk0 s ILE 114 CO 0.12 0.31 1.13 0.00 0.00 0.00 0.00 174.94 176.49 1kk0 s ALA 115 N 1.45 3.43 -0.48 9.38 0.00 -1.26 -1.29 121.76 132.99 1kk0 s ALA 115 Ca -0.01 0.57 0.26 0.00 0.00 0.00 0.00 51.96 52.78 1kk0 s ALA 115 Cb -0.13 -3.47 0.86 0.00 0.00 0.00 0.00 23.12 20.38 1kk0 s ALA 115 CO -0.04 -0.64 1.76 0.00 0.00 0.00 0.00 175.76 176.84 1kk0 h ALA 116 N 7.24 1.00 0.00 0.00 0.00 -1.55 -2.62 119.26 123.33 1kk0 h ALA 116 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1kk0 h ALA 116 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kk0 h ALA 116 CO 0.86 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 178.40 1kk0 n ASN 117 N -2.53 0.26 -4.17 0.00 4.05 -1.26 -4.66 115.26 106.95 1kk0 n ASN 117 Ca 0.04 0.58 -0.31 0.00 0.45 0.00 0.00 54.58 55.34 1kk0 n ASN 117 Cb 0.37 -0.63 -0.17 0.00 1.23 0.00 0.00 39.78 40.58 1kk0 n ASN 117 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1kk0 s GLU 118 N -3.16 2.76 0.00 1.20 2.02 -0.99 -5.06 118.70 115.47 1kk0 s GLU 118 Ca 0.03 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1kk0 s GLU 118 Cb 0.07 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1kk0 s GLU 118 CO 0.23 0.11 0.00 -2.30 0.02 0.00 0.00 175.26 173.33 1kk0 n PRO 119 N 3.69 0.00 -2.71 0.39 -0.02 -1.26 -4.79 135.00 130.31 1kk0 n PRO 119 Ca -0.20 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.96 1kk0 n PRO 119 Cb 0.52 -0.12 -0.05 0.00 -0.02 0.00 0.00 33.50 33.83 1kk0 n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kk0 n PRO 121 N -1.06 2.60 -0.97 0.00 -0.02 -1.26 -4.93 135.00 129.36 1kk0 n PRO 121 Ca 0.06 0.94 -0.33 0.00 -2.02 0.00 0.00 63.50 62.15 1kk0 n PRO 121 Cb 0.54 -2.92 0.14 0.00 -0.02 0.00 0.00 33.50 31.24 1kk0 n PRO 121 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1kk0 n ARG 122 N 7.39 -0.03 -0.19 -0.52 0.63 -1.26 -4.78 116.66 117.91 1kk0 n ARG 122 Ca 0.22 0.07 -0.03 0.00 -0.92 0.00 0.00 57.85 57.19 1kk0 n ARG 122 Cb 0.38 -2.36 0.08 0.00 0.45 0.00 0.00 32.46 31.00 1kk0 n ARG 122 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1kk0 h PRO 123 N -1.21 0.47 -0.44 -0.14 0.11 -1.91 -1.70 132.00 127.18 1kk0 h PRO 123 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1kk0 h PRO 123 Cb 1.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1kk0 h PRO 123 CO 0.44 0.31 0.28 1.96 -0.21 0.00 0.00 178.00 180.78 1kk0 h GLN 124 N 0.48 0.56 -0.92 1.05 7.50 -1.93 -2.07 115.11 119.78 1kk0 h GLN 124 Ca 0.26 -0.03 0.05 0.00 0.50 0.00 0.00 58.65 59.43 1kk0 h GLN 124 Cb 0.23 -0.13 -0.06 0.00 0.05 0.00 0.00 27.48 27.57 1kk0 h GLN 124 CO -0.21 0.37 0.60 1.15 -1.50 0.00 0.00 178.83 179.24 1kk0 h THR 125 N 0.57 1.10 -0.79 -0.54 2.02 -1.80 0.97 112.91 114.44 1kk0 h THR 125 Ca 0.17 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1kk0 h THR 125 Cb -0.04 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.25 1kk0 h THR 125 CO -0.05 0.20 0.31 0.03 0.37 0.00 0.00 175.52 176.38 1kk0 h ARG 126 N 1.09 1.19 -0.02 6.66 3.08 -0.68 -2.27 114.38 123.43 1kk0 h ARG 126 Ca 0.39 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 1kk0 h ARG 126 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1kk0 h ARG 126 CO -0.14 0.96 -0.73 0.93 -1.07 0.00 0.00 179.97 179.93 1kk0 h GLU 127 N 1.15 0.11 -0.39 0.04 5.08 -0.64 -3.16 114.58 116.79 1kk0 h GLU 127 Ca 0.26 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1kk0 h GLU 127 Cb 0.22 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1kk0 h GLU 127 CO -0.02 0.79 0.24 0.45 -1.00 0.00 0.00 179.01 179.47 1kk0 h HIS 128 N 0.07 0.46 0.00 4.33 3.86 -0.46 -0.70 115.15 122.71 1kk0 h HIS 128 Ca -0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1kk0 h HIS 128 Cb 1.28 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1kk0 h HIS 128 CO 0.01 0.28 0.00 -0.11 0.86 0.00 0.00 177.93 178.97 1kk0 n LEU 129 N -4.84 2.65 0.00 2.43 7.94 -0.89 -2.07 117.00 122.22 1kk0 n LEU 129 Ca 0.01 -1.22 0.00 0.00 -1.11 0.00 0.00 56.01 53.68 1kk0 n LEU 129 Cb 0.04 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1kk0 n LEU 129 CO 0.34 0.49 0.00 0.00 -1.11 0.00 0.00 177.39 177.10 1kk0 n ALA 131 N 1.37 0.00 -0.14 1.96 0.00 -0.27 -1.35 120.51 122.09 1kk0 n ALA 131 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kk0 n ALA 131 Cb 0.29 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.99 1kk0 n ALA 131 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kk0 h LEU 132 N 0.00 0.74 -0.11 0.00 3.38 -1.68 -1.82 115.31 115.82 1kk0 h LEU 132 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1kk0 h LEU 132 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1kk0 h LEU 132 CO 0.00 0.63 0.01 -0.61 0.09 0.00 0.00 178.44 178.56 1kk0 h GLN 133 N 0.83 0.20 -0.45 1.13 5.75 -1.50 -1.56 115.11 119.51 1kk0 h GLN 133 Ca 0.21 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.70 1kk0 h GLN 133 Cb 0.09 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 1kk0 h GLN 133 CO -0.03 0.43 0.17 0.82 -2.65 0.00 0.00 178.83 177.58 1kk0 h ILE 134 N -0.06 0.88 -0.01 2.39 2.04 -1.73 -2.25 117.51 118.76 1kk0 h ILE 134 Ca 0.03 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1kk0 h ILE 134 Cb 0.34 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1kk0 h ILE 134 CO 0.00 0.06 -0.02 2.30 0.00 0.00 0.00 178.15 180.50 1kk0 n ILE 135 N -4.98 0.00 -3.35 -0.67 -5.35 -0.72 -4.95 119.36 99.34 1kk0 n ILE 135 Ca 0.04 -0.14 -0.19 0.00 -0.27 0.00 0.00 62.75 62.19 1kk0 n ILE 135 Cb 0.16 0.08 0.06 0.00 -1.74 0.00 0.00 39.64 38.20 1kk0 n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kk0 n GLY 136 N 1.13 -0.25 3.50 3.28 0.00 -0.67 -4.98 105.19 107.20 1kk0 n GLY 136 Ca 0.20 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1kk0 n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kk0 s GLN 137 N -6.03 3.24 -0.00 1.61 2.00 -0.69 -4.90 119.66 114.88 1kk0 s GLN 137 Ca 0.46 -0.50 0.15 0.00 -2.00 0.00 0.00 55.36 53.48 1kk0 s GLN 137 Cb -0.20 -3.99 -0.18 0.00 0.80 0.00 0.00 33.01 29.45 1kk0 s GLN 137 CO 0.57 -1.06 0.60 1.63 -0.50 0.00 0.00 175.29 176.53 1kk0 n LYS 138 N 6.25 1.78 -2.07 1.67 5.02 -1.26 -4.73 118.16 124.83 1kk0 n LYS 138 Ca -0.03 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 1kk0 n LYS 138 Cb 0.47 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1kk0 n LYS 138 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kk0 n ASN 139 N -1.45 4.30 -4.61 4.39 3.02 -1.26 -4.87 115.26 114.77 1kk0 n ASN 139 Ca 0.02 -2.88 -0.31 0.00 -0.03 0.00 0.00 54.58 51.38 1kk0 n ASN 139 Cb 0.26 -1.69 -0.10 0.00 -0.61 0.00 0.00 39.78 37.64 1kk0 n ASN 139 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kk0 s ILE 140 N 3.53 3.67 -0.04 2.41 1.01 -1.26 -1.56 121.20 128.95 1kk0 s ILE 140 Ca 0.49 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1kk0 s ILE 140 Cb 0.10 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1kk0 s ILE 140 CO -0.02 0.29 -0.11 -0.63 0.00 0.00 0.00 174.94 174.47 1kk0 s ILE 141 N -1.10 0.98 -0.23 2.92 1.01 -0.50 -4.25 121.20 120.03 1kk0 s ILE 141 Ca 0.20 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 1kk0 s ILE 141 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1kk0 s ILE 141 CO 0.11 0.31 0.10 -0.63 0.00 0.00 0.00 174.94 174.82 1kk0 s ILE 142 N 0.41 4.75 -0.39 2.92 1.01 -0.01 -0.39 121.20 129.50 1kk0 s ILE 142 Ca -0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 1kk0 s ILE 142 Cb -0.12 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.18 1kk0 s ILE 142 CO 0.02 0.37 0.23 0.00 0.00 0.00 0.00 174.94 175.56 1kk0 s ALA 143 N 1.12 3.31 -1.01 9.38 0.00 0.15 -0.48 121.76 134.23 1kk0 s ALA 143 Ca 0.05 -1.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.03 1kk0 s ALA 143 Cb -0.14 -2.66 0.10 0.00 0.00 0.00 0.00 23.12 20.42 1kk0 s ALA 143 CO 0.04 -1.45 1.30 -1.14 0.00 0.00 0.00 175.76 174.51 1kk0 s GLN 144 N 1.56 3.66 0.74 0.00 0.74 -0.12 -1.11 119.66 125.13 1kk0 s GLN 144 Ca 0.02 -1.63 -0.11 0.00 0.05 0.00 0.00 55.36 53.69 1kk0 s GLN 144 Cb -0.20 -5.12 0.04 0.00 1.10 0.00 0.00 33.01 28.84 1kk0 s GLN 144 CO 0.07 -1.95 1.11 1.21 -0.55 0.00 0.00 175.29 175.18 1kk0 s ASN 145 N 4.05 5.02 -1.30 6.67 3.04 -0.41 -1.05 114.94 130.95 1kk0 s ASN 145 Ca 0.39 0.91 -0.04 0.00 0.04 0.00 0.00 52.86 54.16 1kk0 s ASN 145 Cb -0.02 -1.58 0.00 0.00 -1.54 0.00 0.00 41.25 38.11 1kk0 s ASN 145 CO -0.08 -1.58 0.55 0.29 -3.04 0.00 0.00 177.10 173.24 1kk0 n LYS 146 N -3.10 -4.32 0.16 0.43 5.02 -0.99 -1.52 118.16 113.84 1kk0 n LYS 146 Ca 0.07 0.77 0.13 0.00 -2.02 0.00 0.00 58.31 57.26 1kk0 n LYS 146 Cb 0.59 -5.34 0.56 0.00 -0.02 0.00 0.00 35.03 30.83 1kk0 n LYS 146 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1kk0 h ILE 147 N -1.25 0.00 0.00 -0.18 3.07 -1.72 -2.44 117.51 114.99 1kk0 h ILE 147 Ca -0.45 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.74 1kk0 h ILE 147 Cb 1.31 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1kk0 h ILE 147 CO 0.48 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.74 1kk0 n GLU 148 N -2.39 0.75 0.00 0.16 0.00 -1.26 -3.31 120.64 114.58 1kk0 n GLU 148 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.25 1kk0 n GLU 148 Cb 0.20 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.06 1kk0 n GLU 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1kk0 n LEU 149 N -1.12 0.97 -4.31 -1.84 4.77 -0.92 -4.99 117.00 109.55 1kk0 n LEU 149 Ca 0.20 -0.54 -0.20 0.00 -0.03 0.00 0.00 56.01 55.43 1kk0 n LEU 149 Cb 0.17 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1kk0 n LEU 149 CO 0.20 0.22 -0.46 0.68 -1.33 0.00 0.00 177.39 176.70 1kk0 s VAL 150 N -2.54 1.68 0.97 4.08 -7.23 -1.21 -5.02 120.40 111.13 1kk0 s VAL 150 Ca 0.08 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 1kk0 s VAL 150 Cb 0.13 -1.83 0.17 0.00 0.56 0.00 0.00 36.38 35.42 1kk0 s VAL 150 CO 0.67 -0.42 1.12 1.51 -0.31 0.00 0.00 175.10 177.67 1kk0 s ASP 151 N -2.80 2.92 0.25 4.85 -4.77 -1.26 -4.84 116.67 111.02 1kk0 s ASP 151 Ca 0.16 0.99 -0.04 0.00 -3.30 0.00 0.00 52.55 50.36 1kk0 s ASP 151 Cb -0.04 -1.55 0.40 0.00 -1.09 0.00 0.00 42.92 40.63 1kk0 s ASP 151 CO 0.06 -2.92 1.84 0.50 0.70 0.00 0.00 175.17 175.34 1kk0 h LYS 152 N -1.75 0.90 -0.16 2.11 1.63 -2.00 -2.23 116.57 115.07 1kk0 h LYS 152 Ca -0.52 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.08 1kk0 h LYS 152 Cb 1.33 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1kk0 h LYS 152 CO 0.58 0.59 -0.47 1.49 -3.45 0.00 0.00 179.45 178.19 1kk0 h GLU 153 N 0.92 0.60 0.00 1.90 4.57 -2.00 -2.91 114.58 117.66 1kk0 h GLU 153 Ca 0.41 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1kk0 h GLU 153 Cb 0.29 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1kk0 h GLU 153 CO -0.22 1.05 -0.20 0.87 -1.18 0.00 0.00 179.01 179.34 1kk0 h LYS 154 N 0.25 0.00 -0.42 1.92 1.57 -1.91 -1.88 116.57 116.10 1kk0 h LYS 154 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1kk0 h LYS 154 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1kk0 h LYS 154 CO 0.10 0.20 -0.15 0.00 -0.57 0.00 0.00 179.45 179.03 1kk0 h ALA 155 N 1.80 0.58 -0.01 3.86 0.00 -1.34 -1.06 119.26 123.10 1kk0 h ALA 155 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1kk0 h ALA 155 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1kk0 h ALA 155 CO 0.03 0.50 -0.53 -0.07 0.00 0.00 0.00 179.25 179.18 1kk0 h LEU 156 N 0.66 0.02 -0.15 0.00 3.38 -1.24 -1.90 115.31 116.09 1kk0 h LEU 156 Ca 0.10 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1kk0 h LEU 156 Cb 0.70 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1kk0 h LEU 156 CO 0.05 0.55 -0.24 -0.08 0.09 0.00 0.00 178.44 178.81 1kk0 h GLU 157 N 0.02 0.43 -0.67 1.13 4.57 -1.15 -2.28 114.58 116.61 1kk0 h GLU 157 Ca -0.00 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 57.97 1kk0 h GLU 157 Cb 0.94 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 1kk0 h GLU 157 CO 0.07 0.85 0.39 -0.97 -1.18 0.00 0.00 179.01 178.17 1kk0 h ASN 158 N 0.04 0.60 -0.54 1.04 -1.24 -1.08 -1.72 115.58 112.69 1kk0 h ASN 158 Ca 0.01 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.12 1kk0 h ASN 158 Cb 0.81 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.70 1kk0 h ASN 158 CO 0.05 0.40 0.20 0.22 -1.29 0.00 0.00 177.43 177.01 1kk0 h TYR 159 N 0.73 0.36 -0.68 0.67 3.20 -1.22 -1.04 116.97 118.99 1kk0 h TYR 159 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.19 1kk0 h TYR 159 Cb 0.13 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1kk0 h TYR 159 CO -0.07 0.11 0.44 0.00 -1.64 0.00 0.00 178.16 177.01 1kk0 h ARG 160 N 0.39 0.90 -0.86 1.82 3.08 -0.74 -1.52 114.38 117.44 1kk0 h ARG 160 Ca 0.26 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1kk0 h ARG 160 Cb 0.29 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1kk0 h ARG 160 CO -0.26 0.61 0.57 1.96 -1.07 0.00 0.00 179.97 181.78 1kk0 h GLN 161 N 0.92 1.13 -0.48 0.04 4.20 -0.60 -1.87 115.11 118.46 1kk0 h GLN 161 Ca 0.25 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1kk0 h GLN 161 Cb -0.09 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.41 1kk0 h GLN 161 CO -0.05 0.75 0.22 0.82 -0.67 0.00 0.00 178.83 179.90 1kk0 h ILE 162 N 1.17 1.20 -0.80 2.54 2.04 -0.75 0.33 117.51 123.23 1kk0 h ILE 162 Ca 0.32 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1kk0 h ILE 162 Cb -0.14 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1kk0 h ILE 162 CO -0.07 0.22 0.53 0.11 0.00 0.00 0.00 178.15 178.94 1kk0 h LYS 163 N 0.63 1.04 -0.02 2.37 1.79 -0.80 -0.89 116.57 120.69 1kk0 h LYS 163 Ca 0.16 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.41 1kk0 h LYS 163 Cb 0.14 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1kk0 h LYS 163 CO -0.02 0.69 -0.73 0.93 -1.08 0.00 0.00 179.45 179.24 1kk0 h GLU 164 N 1.07 0.15 -0.49 3.15 5.08 -0.95 -2.88 114.58 119.71 1kk0 h GLU 164 Ca 0.30 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 1kk0 h GLU 164 Cb -0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1kk0 h GLU 164 CO -0.07 0.81 -0.14 0.35 -1.00 0.00 0.00 179.01 178.96 1kk0 h PHE 165 N 0.10 1.05 -0.00 4.33 -0.00 0.02 -3.20 116.94 119.24 1kk0 h PHE 165 Ca -0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 57.97 57.73 1kk0 h PHE 165 Cb 1.29 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.98 1kk0 h PHE 165 CO 0.02 1.01 -0.41 0.44 -0.00 0.00 0.00 178.31 179.36 1kk0 n ILE 166 N -4.14 0.00 -1.70 1.41 -5.35 -0.43 -4.89 119.36 104.27 1kk0 n ILE 166 Ca 0.01 -0.03 -0.44 0.00 -0.27 0.00 0.00 62.75 62.03 1kk0 n ILE 166 Cb 0.41 0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 38.49 1kk0 n ILE 166 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1kk0 n GLU 167 N -1.31 2.56 -1.00 6.28 2.13 -1.09 -1.80 120.64 126.41 1kk0 n GLU 167 Ca 0.07 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.82 1kk0 n GLU 167 Cb 0.34 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.29 1kk0 n GLU 167 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kk0 n GLY 168 N 3.84 0.54 3.80 8.31 0.00 -1.26 -4.98 105.19 115.45 1kk0 n GLY 168 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1kk0 n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kk0 s THR 169 N -2.23 1.78 -0.42 2.61 -4.23 -0.75 -4.99 115.64 107.42 1kk0 s THR 169 Ca 0.00 -1.71 0.18 0.00 -1.18 0.00 0.00 61.69 58.98 1kk0 s THR 169 Cb 0.00 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.54 1kk0 s THR 169 CO 0.00 0.00 1.56 1.33 -0.54 0.00 0.00 174.62 176.97 1kk0 n VAL 170 N -1.42 1.14 0.58 2.29 0.24 -1.26 -1.58 118.33 118.32 1kk0 n VAL 170 Ca -0.06 0.57 0.11 0.00 -2.04 0.00 0.00 64.34 62.92 1kk0 n VAL 170 Cb 0.65 -1.54 0.16 0.00 -1.47 0.00 0.00 33.84 31.63 1kk0 n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kk0 n ALA 171 N -1.72 2.43 -0.28 2.33 0.00 -1.26 -4.63 120.51 117.37 1kk0 n ALA 171 Ca -0.00 -0.86 0.10 0.00 0.00 0.00 0.00 53.44 52.68 1kk0 n ALA 171 Cb 0.08 -0.81 0.25 0.00 0.00 0.00 0.00 19.45 18.97 1kk0 n ALA 171 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1kk0 h GLU 172 N 4.40 0.30 -0.53 0.00 4.81 -1.13 -0.70 114.58 121.73 1kk0 h GLU 172 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1kk0 h GLU 172 Cb 0.96 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1kk0 h GLU 172 CO 0.00 0.20 0.00 0.09 -0.73 0.00 0.00 179.01 178.57 1kk0 n ASN 173 N -5.13 2.86 -4.77 1.04 3.02 -1.26 -4.88 115.26 106.14 1kk0 n ASN 173 Ca 0.19 -2.08 -0.39 0.00 -0.03 0.00 0.00 54.58 52.27 1kk0 n ASN 173 Cb 0.58 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 1kk0 n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kk0 s ALA 174 N -1.44 3.28 0.48 5.41 0.00 -0.27 -5.01 121.76 124.21 1kk0 s ALA 174 Ca 0.34 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 52.97 1kk0 s ALA 174 Cb 0.19 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1kk0 s ALA 174 CO 0.21 -0.27 1.07 -2.14 0.00 0.00 0.00 175.76 174.63 1kk0 s PRO 175 N -1.90 3.78 -0.25 0.00 0.02 -1.26 -4.81 135.00 130.57 1kk0 s PRO 175 Ca 0.51 1.49 -0.03 0.00 0.02 0.00 0.00 61.00 62.99 1kk0 s PRO 175 Cb -0.30 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.04 1kk0 s PRO 175 CO 0.38 -0.47 -0.03 0.42 -0.33 0.00 0.00 177.00 176.96 1kk0 s ILE 176 N -1.82 3.14 -0.28 2.83 1.01 -1.26 -0.83 121.20 123.98 1kk0 s ILE 176 Ca 0.66 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1kk0 s ILE 176 Cb -0.20 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.73 1kk0 s ILE 176 CO 0.25 0.21 0.01 -0.63 0.00 0.00 0.00 174.94 174.78 1kk0 s ILE 177 N 1.38 3.24 -0.05 2.92 1.01 0.37 -4.94 121.20 125.12 1kk0 s ILE 177 Ca 0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1kk0 s ILE 177 Cb -0.16 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1kk0 s ILE 177 CO -0.03 0.03 1.47 -2.84 0.00 0.00 0.00 174.94 173.57 1kk0 s PRO 178 N 1.35 4.23 0.09 2.79 0.02 -1.26 -0.94 135.00 141.28 1kk0 s PRO 178 Ca -0.01 1.99 -0.02 0.00 0.02 0.00 0.00 61.00 62.98 1kk0 s PRO 178 Cb -0.18 -3.76 -0.04 0.00 0.02 0.00 0.00 34.50 30.55 1kk0 s PRO 178 CO -0.01 -0.70 0.03 0.96 -0.33 0.00 0.00 177.00 176.95 1kk0 s ILE 179 N 3.20 0.16 -0.33 2.83 -4.36 -0.21 -4.67 121.20 117.82 1kk0 s ILE 179 Ca 0.65 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.22 1kk0 s ILE 179 Cb -0.30 -1.77 0.11 0.00 1.25 0.00 0.00 42.46 41.74 1kk0 s ILE 179 CO 0.25 -0.71 0.12 -0.55 0.24 0.00 0.00 174.94 174.29 1kk0 s SER 180 N -2.98 3.94 0.41 4.36 0.15 -1.01 -2.35 113.70 116.22 1kk0 s SER 180 Ca 0.15 -1.76 0.10 0.00 0.70 0.00 0.00 55.95 55.14 1kk0 s SER 180 Cb 0.07 -0.85 0.87 0.00 -1.71 0.00 0.00 66.02 64.40 1kk0 s SER 180 CO -0.04 -0.40 1.98 0.00 1.20 0.00 0.00 173.24 175.98 1kk0 h ALA 181 N 7.91 1.62 -0.09 5.45 0.00 -1.94 0.58 119.26 132.78 1kk0 h ALA 181 Ca -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1kk0 h ALA 181 Cb 1.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1kk0 h ALA 181 CO 0.46 0.28 -0.05 1.25 0.00 0.00 0.00 179.25 181.20 1kk0 h LEU 182 N 0.26 0.20 0.00 0.00 5.85 -1.94 -3.25 115.31 116.43 1kk0 h LEU 182 Ca 0.06 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 1kk0 h LEU 182 Cb 0.23 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1kk0 h LEU 182 CO 0.01 0.58 -0.79 0.45 -0.34 0.00 0.00 178.44 178.35 1kk0 h HIS 183 N -0.17 0.00 0.00 1.25 3.86 -1.96 -3.48 115.15 114.65 1kk0 h HIS 183 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1kk0 h HIS 183 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1kk0 h HIS 183 CO 0.07 0.17 0.00 0.41 0.86 0.00 0.00 177.93 179.44 1kk0 n GLY 184 N 1.21 0.70 3.71 2.45 0.00 0.20 -5.04 105.19 108.41 1kk0 n GLY 184 Ca -0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1kk0 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk0 s ALA 185 N -2.00 3.28 -0.32 4.61 0.00 -0.72 -3.66 121.76 122.95 1kk0 s ALA 185 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1kk0 s ALA 185 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1kk0 s ALA 185 CO 0.00 -0.38 0.00 0.09 0.00 0.00 0.00 175.76 175.47 1kk0 n ASN 186 N 4.16 -4.77 0.00 0.00 4.13 -1.26 -2.41 115.26 115.11 1kk0 n ASN 186 Ca 0.08 0.07 -0.01 0.00 1.68 0.00 0.00 54.58 56.40 1kk0 n ASN 186 Cb 0.49 -2.53 0.28 0.00 -1.54 0.00 0.00 39.78 36.48 1kk0 n ASN 186 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1kk0 h ILE 187 N 0.00 1.21 -0.43 2.41 1.08 -1.91 -1.92 117.51 117.94 1kk0 h ILE 187 Ca -0.06 -0.85 -0.06 0.00 -0.39 0.00 0.00 64.86 63.50 1kk0 h ILE 187 Cb 0.66 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 1kk0 h ILE 187 CO 0.09 0.29 0.03 -2.24 -0.69 0.00 0.00 178.15 175.63 1kk0 h ASP 188 N 0.49 0.65 -0.53 1.72 2.03 -1.86 0.19 116.42 119.10 1kk0 h ASP 188 Ca 0.10 -0.13 -0.11 0.00 -0.73 0.00 0.00 57.03 56.16 1kk0 h ASP 188 Cb 0.38 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 1kk0 h ASP 188 CO 0.02 0.69 -0.08 0.58 -1.03 0.00 0.00 179.24 179.42 1kk0 h VAL 189 N 0.65 1.27 -0.37 4.15 2.07 -1.70 -1.88 116.25 120.45 1kk0 h VAL 189 Ca 0.14 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1kk0 h VAL 189 Cb 0.36 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1kk0 h VAL 189 CO 0.01 0.44 0.01 0.25 0.02 0.00 0.00 177.57 178.30 1kk0 h LEU 190 N 0.91 0.63 -0.55 2.57 5.85 -0.69 -1.34 115.31 122.68 1kk0 h LEU 190 Ca 0.15 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1kk0 h LEU 190 Cb 0.64 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1kk0 h LEU 190 CO 0.04 0.78 0.23 0.58 -0.34 0.00 0.00 178.44 179.73 1kk0 h VAL 191 N 0.46 1.22 -0.29 1.05 2.07 -0.86 -0.77 116.25 119.12 1kk0 h VAL 191 Ca 0.11 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1kk0 h VAL 191 Cb 0.45 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1kk0 h VAL 191 CO 0.02 0.26 -0.06 0.50 0.02 0.00 0.00 177.57 178.31 1kk0 h LYS 192 N 0.76 0.47 -0.35 1.57 3.64 -1.28 -1.58 116.57 119.80 1kk0 h LYS 192 Ca 0.19 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1kk0 h LYS 192 Cb 0.19 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1kk0 h LYS 192 CO -0.02 0.55 -0.06 0.00 -2.27 0.00 0.00 179.45 177.65 1kk0 h ALA 193 N 1.49 1.24 -0.68 5.00 0.00 -0.48 -0.01 119.26 125.82 1kk0 h ALA 193 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1kk0 h ALA 193 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1kk0 h ALA 193 CO 0.02 0.50 0.34 0.82 0.00 0.00 0.00 179.25 180.93 1kk0 h ILE 194 N 0.54 1.21 -0.26 0.00 2.04 -0.17 0.50 117.51 121.37 1kk0 h ILE 194 Ca 0.11 -0.57 -0.16 0.00 1.00 0.00 0.00 64.86 65.23 1kk0 h ILE 194 Cb 0.44 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1kk0 h ILE 194 CO 0.02 0.25 -0.49 -0.33 0.00 0.00 0.00 178.15 177.60 1kk0 h GLU 195 N 0.96 0.72 0.17 2.37 4.39 -0.88 -1.76 114.58 120.54 1kk0 h GLU 195 Ca 0.24 -0.42 -0.31 0.00 0.34 0.00 0.00 59.36 59.20 1kk0 h GLU 195 Cb 0.07 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1kk0 h GLU 195 CO -0.03 1.04 -1.47 -0.44 -1.16 0.00 0.00 179.01 176.95 1kk0 h ASP 196 N 0.57 0.55 -0.00 1.42 3.32 -0.52 -3.36 116.42 118.40 1kk0 h ASP 196 Ca 0.03 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1kk0 h ASP 196 Cb 1.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1kk0 h ASP 196 CO 0.10 1.54 -0.85 0.49 -1.72 0.00 0.00 179.24 178.80 1kk0 n PHE 197 N -3.56 0.00 -3.11 4.55 3.01 0.17 -4.56 117.46 113.95 1kk0 n PHE 197 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.08 1kk0 n PHE 197 Cb 1.06 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.49 1kk0 n PHE 197 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1kk0 n ILE 198 N -1.37 1.18 -1.50 4.37 5.41 -0.66 -4.60 119.36 122.19 1kk0 n ILE 198 Ca 0.04 -4.95 -0.32 0.00 1.00 0.00 0.00 62.75 58.52 1kk0 n ILE 198 Cb 0.29 -0.98 0.07 0.00 -0.71 0.00 0.00 39.64 38.31 1kk0 n ILE 198 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1kk0 s PRO 199 N -2.71 2.63 0.08 0.38 0.04 -1.26 -4.72 135.00 129.45 1kk0 s PRO 199 Ca 0.43 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 1kk0 s PRO 199 Cb 0.29 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.81 1kk0 s PRO 199 CO -0.10 -1.36 1.58 0.99 0.04 0.00 0.00 177.00 178.15 1kk0 s THR 200 N -2.79 3.06 0.64 1.26 2.01 -1.26 -4.96 115.64 113.60 1kk0 s THR 200 Ca 0.62 0.60 -0.18 0.00 0.31 0.00 0.00 61.69 63.04 1kk0 s THR 200 Cb -0.17 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1kk0 s THR 200 CO 0.51 0.01 1.24 -2.16 -0.69 0.00 0.00 174.62 173.54 1kk0 s PRO 201 N 2.16 2.66 -1.25 4.92 0.04 -1.26 -4.89 135.00 137.38 1kk0 s PRO 201 Ca 0.71 1.90 -0.19 0.00 0.04 0.00 0.00 61.00 63.47 1kk0 s PRO 201 Cb -0.39 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.34 1kk0 s PRO 201 CO 0.31 -1.47 1.68 0.15 0.04 0.00 0.00 177.00 177.72 1kk0 s LYS 202 N -3.46 3.93 0.15 4.56 -0.14 -1.26 -4.97 119.74 118.55 1kk0 s LYS 202 Ca 0.79 -1.88 -0.27 0.00 -1.36 0.00 0.00 55.97 53.25 1kk0 s LYS 202 Cb -0.33 -5.50 -0.07 0.00 -1.68 0.00 0.00 37.83 30.25 1kk0 s LYS 202 CO 0.38 -2.24 0.83 1.03 -0.76 0.00 0.00 175.35 174.59 1kk0 s ARG 203 N 4.27 4.63 -0.67 1.68 0.52 -1.26 -5.01 118.95 123.11 1kk0 s ARG 203 Ca 0.52 1.25 -0.24 0.00 -0.52 0.00 0.00 55.73 56.74 1kk0 s ARG 203 Cb 0.03 -3.30 0.05 0.00 0.52 0.00 0.00 34.95 32.25 1kk0 s ARG 203 CO 0.05 0.45 1.06 0.34 0.02 0.00 0.00 175.30 177.22 1kk0 s ASP 204 N -0.74 6.20 0.00 0.23 -1.08 -1.26 -4.89 116.67 115.13 1kk0 s ASP 204 Ca 0.39 -0.71 0.09 0.00 -0.52 0.00 0.00 52.55 51.79 1kk0 s ASP 204 Cb -0.23 -2.47 0.45 0.00 -1.46 0.00 0.00 42.92 39.21 1kk0 s ASP 204 CO 0.27 -1.54 1.12 -0.81 0.52 0.00 0.00 175.17 174.74 1kk0 n PRO 205 N 8.20 0.15 0.04 4.34 -0.04 -1.26 -2.56 135.00 143.87 1kk0 n PRO 205 Ca -0.01 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1kk0 n PRO 205 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1kk0 n PRO 205 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kk0 n ASN 206 N -1.24 0.62 -4.63 3.54 3.02 -1.26 -4.19 115.26 111.12 1kk0 n ASN 206 Ca 0.04 -0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.16 1kk0 n ASN 206 Cb 0.06 0.72 0.10 0.00 -0.61 0.00 0.00 39.78 40.05 1kk0 n ASN 206 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kk0 n LYS 207 N -2.08 0.39 -1.65 3.52 5.02 -1.06 -4.84 118.16 117.45 1kk0 n LYS 207 Ca 0.02 0.20 -0.47 0.00 -2.02 0.00 0.00 58.31 56.03 1kk0 n LYS 207 Cb 0.46 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 1kk0 n LYS 207 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1kk0 n PRO 208 N -2.21 1.94 -2.06 1.97 -0.02 -1.26 -4.04 135.00 129.32 1kk0 n PRO 208 Ca 0.13 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 1kk0 n PRO 208 Cb 0.50 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1kk0 n PRO 208 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kk0 s PRO 209 N 0.91 3.45 0.27 0.52 0.04 -1.26 -4.12 135.00 134.82 1kk0 s PRO 209 Ca 0.80 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 63.71 1kk0 s PRO 209 Cb -0.74 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 1kk0 s PRO 209 CO 0.40 -0.85 0.44 0.21 0.04 0.00 0.00 177.00 177.24 1kk0 s LYS 210 N -2.84 1.61 -0.15 4.56 2.20 -0.78 -4.18 119.74 120.16 1kk0 s LYS 210 Ca 0.68 -1.42 -0.05 0.00 -0.36 0.00 0.00 55.97 54.82 1kk0 s LYS 210 Cb -0.33 0.44 0.07 0.00 -1.51 0.00 0.00 37.83 36.50 1kk0 s LYS 210 CO 0.39 -0.66 0.28 -0.51 -0.36 0.00 0.00 175.35 174.50 1kk0 s LEU 212 N -3.09 -0.34 -0.15 5.43 1.43 0.07 -1.12 118.68 120.92 1kk0 s LEU 212 Ca 0.26 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 1kk0 s LEU 212 Cb 0.00 0.76 -0.01 0.00 0.03 0.00 0.00 46.19 46.97 1kk0 s LEU 212 CO 0.12 -0.25 1.07 -0.69 0.23 0.00 0.00 176.35 176.83 1kk0 s VAL 213 N 2.44 4.62 -0.18 -1.59 1.01 -0.37 -1.57 120.40 124.77 1kk0 s VAL 213 Ca 0.02 1.93 -0.10 0.00 0.00 0.00 0.00 61.98 63.83 1kk0 s VAL 213 Cb -0.12 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 31.80 1kk0 s VAL 213 CO -0.10 -0.08 0.15 -0.11 0.00 0.00 0.00 175.10 174.97 1kk0 n LEU 214 N 5.67 2.42 -4.11 3.92 7.94 0.12 -0.18 117.00 132.77 1kk0 n LEU 214 Ca 0.11 0.22 -0.10 0.00 -1.11 0.00 0.00 56.01 55.13 1kk0 n LEU 214 Cb 0.47 -1.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.31 1kk0 n LEU 214 CO 0.53 0.69 -0.22 -0.13 -1.11 0.00 0.00 177.39 177.15 1kk0 s ARG 215 N -2.50 1.03 -0.15 1.96 1.81 -0.29 -4.51 118.95 116.30 1kk0 s ARG 215 Ca -0.28 -1.41 -0.15 0.00 -1.72 0.00 0.00 55.73 52.17 1kk0 s ARG 215 Cb 0.08 0.28 0.04 0.00 -0.45 0.00 0.00 34.95 34.90 1kk0 s ARG 215 CO 0.66 -0.32 0.42 -1.54 -0.68 0.00 0.00 175.30 173.84 1kk0 s SER 216 N -3.05 -0.43 0.23 0.23 1.04 -1.26 -0.21 113.70 110.25 1kk0 s SER 216 Ca 0.25 0.82 -0.07 0.00 0.48 0.00 0.00 55.95 57.43 1kk0 s SER 216 Cb 0.06 0.84 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 1kk0 s SER 216 CO 0.03 -0.16 0.32 -0.36 0.98 0.00 0.00 173.24 174.06 1kk0 s PHE 217 N 0.16 0.77 -0.42 5.02 0.40 -0.24 -1.15 117.98 122.52 1kk0 s PHE 217 Ca -0.00 -1.05 -0.06 0.00 -0.60 0.00 0.00 56.93 55.21 1kk0 s PHE 217 Cb -0.03 -0.17 0.10 0.00 0.51 0.00 0.00 43.02 43.44 1kk0 s PHE 217 CO 0.01 -0.84 0.25 0.34 0.70 0.00 0.00 175.22 175.67 1kk0 s ASP 218 N -3.10 5.44 0.00 1.36 -1.08 -1.26 -2.02 116.67 116.01 1kk0 s ASP 218 Ca 0.30 -1.87 0.30 0.00 -0.52 0.00 0.00 52.55 50.76 1kk0 s ASP 218 Cb 0.03 -1.91 1.44 0.00 -1.46 0.00 0.00 42.92 41.02 1kk0 s ASP 218 CO 0.11 -0.58 1.97 1.33 0.52 0.00 0.00 175.17 178.53 1kk0 n VAL 219 N 4.75 0.00 -1.59 1.11 0.24 -1.26 -4.84 118.33 116.74 1kk0 n VAL 219 Ca -0.06 -0.09 -0.44 0.00 -2.04 0.00 0.00 64.34 61.71 1kk0 n VAL 219 Cb 0.41 -0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 1kk0 n VAL 219 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1kk0 n ASN 220 N -0.65 3.25 0.00 -1.34 3.02 -1.26 -4.83 115.26 113.44 1kk0 n ASN 220 Ca 0.19 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1kk0 n ASN 220 Cb 0.23 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 1kk0 n ASN 220 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kk0 n LYS 221 N 8.50 0.00 0.00 3.52 5.02 -1.26 -4.89 118.16 129.04 1kk0 n LYS 221 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1kk0 n LYS 221 Cb 0.41 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1kk0 n LYS 221 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1kk0 n PRO 222 N -0.71 2.51 0.00 1.97 -0.02 -1.26 -5.30 135.00 132.19 1kk0 n PRO 222 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1kk0 n PRO 222 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1kk0 n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk0 n GLY 223 N 0.00 0.30 3.50 -1.23 0.00 -1.26 -5.28 105.19 101.22 1kk0 n GLY 223 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1kk0 n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kk0 s LEU 229 N 0.00 -0.63 0.02 0.99 2.01 -1.26 -5.28 118.68 114.53 1kk0 s LEU 229 Ca 0.00 0.53 0.07 0.00 0.01 0.00 0.00 54.13 54.75 1kk0 s LEU 229 Cb 0.00 2.55 -0.03 0.00 0.01 0.00 0.00 46.19 48.72 1kk0 s LEU 229 CO 0.00 -0.70 -0.21 -0.69 1.01 0.00 0.00 176.35 175.76 1kk0 s VAL 230 N -1.84 2.52 1.17 -1.59 1.01 -1.26 -5.13 120.40 115.29 1kk0 s VAL 230 Ca -0.08 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 1kk0 s VAL 230 Cb -0.00 -2.00 0.28 0.00 0.00 0.00 0.00 36.38 34.66 1kk0 s VAL 230 CO 0.04 0.43 1.04 -0.83 0.00 0.00 0.00 175.10 175.78 1kk0 s GLY 231 N -1.13 1.53 0.67 4.51 0.00 -1.23 -4.69 107.32 106.97 1kk0 s GLY 231 Ca 0.13 -0.45 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 1kk0 s GLY 231 CO 0.03 0.32 1.27 -0.32 0.00 0.00 0.00 173.10 174.40 1kk0 s GLY 232 N -3.10 2.74 -0.04 0.20 0.00 0.69 -4.58 107.32 103.24 1kk0 s GLY 232 Ca 0.68 1.14 0.07 0.00 0.00 0.00 0.00 44.72 46.61 1kk0 s GLY 232 CO 0.60 1.56 -0.24 0.14 0.00 0.00 0.00 173.10 175.17 1kk0 s VAL 233 N -1.53 2.19 0.09 1.40 1.01 -0.86 -1.79 120.40 120.90 1kk0 s VAL 233 Ca 0.81 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1kk0 s VAL 233 Cb -0.36 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1kk0 s VAL 233 CO 0.41 0.58 -0.12 -0.76 0.00 0.00 0.00 175.10 175.21 1kk0 s LEU 234 N -0.46 2.96 -0.10 3.92 1.43 -0.20 -1.08 118.68 125.15 1kk0 s LEU 234 Ca 0.05 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1kk0 s LEU 234 Cb -0.11 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1kk0 s LEU 234 CO 0.01 0.20 -0.13 -0.83 0.23 0.00 0.00 176.35 175.83 1kk0 s GLY 235 N -2.01 0.95 0.02 -3.19 0.00 0.70 0.18 107.32 103.97 1kk0 s GLY 235 Ca 0.20 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 1kk0 s GLY 235 CO 0.11 0.37 0.07 0.61 0.00 0.00 0.00 173.10 174.26 1kk0 n GLY 236 N 4.34 1.45 3.31 0.20 0.00 -0.69 0.11 105.19 113.93 1kk0 n GLY 236 Ca -0.18 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1kk0 n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kk0 s SER 237 N -1.17 3.69 -0.20 1.61 0.01 -0.60 -0.38 113.70 116.65 1kk0 s SER 237 Ca 0.02 -0.42 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 1kk0 s SER 237 Cb -0.00 -1.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 1kk0 s SER 237 CO 0.01 0.15 0.77 -0.63 0.41 0.00 0.00 173.24 173.95 1kk0 s ILE 238 N 0.41 4.90 -0.74 1.44 1.01 -1.26 -0.75 121.20 126.22 1kk0 s ILE 238 Ca -0.13 1.49 0.13 0.00 0.00 0.00 0.00 60.65 62.14 1kk0 s ILE 238 Cb -0.16 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 1kk0 s ILE 238 CO 0.06 0.02 0.58 1.33 0.00 0.00 0.00 174.94 176.93 1kk0 n VAL 239 N 4.90 0.00 -3.64 2.92 0.24 -0.28 -3.94 118.33 118.53 1kk0 n VAL 239 Ca 0.03 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 1kk0 n VAL 239 Cb 0.49 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 1kk0 n VAL 239 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1kk0 s GLN 240 N -2.06 0.83 5.12 7.34 0.74 -1.17 -4.98 119.66 125.48 1kk0 s GLN 240 Ca 0.06 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.70 1kk0 s GLN 240 Cb 0.10 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1kk0 s GLN 240 CO 0.47 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.40 1kk0 n GLY 241 N 1.47 2.07 3.38 2.59 0.00 -1.26 -1.87 105.19 111.57 1kk0 n GLY 241 Ca -0.19 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1kk0 n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kk0 s LYS 242 N 0.00 1.18 0.11 1.61 -2.85 -1.26 -4.43 119.74 114.10 1kk0 s LYS 242 Ca 0.00 -0.67 0.09 0.00 -1.00 0.00 0.00 55.97 54.39 1kk0 s LYS 242 Cb 0.00 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1kk0 s LYS 242 CO 0.00 -0.49 -0.20 -0.51 0.10 0.00 0.00 175.35 174.25 1kk0 s LEU 243 N -2.80 2.61 -0.06 2.77 1.43 -0.69 -4.63 118.68 117.31 1kk0 s LEU 243 Ca 0.04 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1kk0 s LEU 243 Cb 0.01 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1kk0 s LEU 243 CO -0.11 0.19 0.15 -0.75 0.23 0.00 0.00 176.35 176.05 1kk0 s LYS 244 N -2.06 0.15 0.20 1.70 2.20 -1.26 -0.96 119.74 119.71 1kk0 s LYS 244 Ca 0.17 0.24 -0.32 0.00 -0.36 0.00 0.00 55.97 55.70 1kk0 s LYS 244 Cb -0.10 0.03 -0.15 0.00 -1.51 0.00 0.00 37.83 36.10 1kk0 s LYS 244 CO 0.09 -0.05 1.21 0.28 -0.36 0.00 0.00 175.35 176.52 1kk0 n VAL 245 N 3.25 1.04 0.00 4.02 0.31 -0.63 -1.22 118.33 125.09 1kk0 n VAL 245 Ca -0.15 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1kk0 n VAL 245 Cb 0.58 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1kk0 n VAL 245 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1kk0 n GLY 246 N 1.96 2.72 3.75 2.92 0.00 0.57 -5.00 105.19 112.11 1kk0 n GLY 246 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1kk0 n GLY 246 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk0 s ASP 247 N -1.32 5.34 -0.10 1.61 1.01 -0.35 -4.62 116.67 118.23 1kk0 s ASP 247 Ca 0.00 2.50 -0.18 0.00 0.71 0.00 0.00 52.55 55.58 1kk0 s ASP 247 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1kk0 s ASP 247 CO 0.00 -1.50 0.49 -0.70 0.21 0.00 0.00 175.17 173.67 1kk0 s GLU 248 N -3.09 4.32 0.16 8.23 2.12 -1.26 -1.39 118.70 127.77 1kk0 s GLU 248 Ca 0.74 0.48 0.07 0.00 0.36 0.00 0.00 54.97 56.62 1kk0 s GLU 248 Cb -0.34 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 1kk0 s GLU 248 CO 0.38 0.20 -0.16 0.96 -0.54 0.00 0.00 175.26 176.10 1kk0 s ILE 249 N 0.46 1.62 -0.02 -3.70 -4.36 -0.39 -4.29 121.20 110.53 1kk0 s ILE 249 Ca 0.27 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.82 1kk0 s ILE 249 Cb -0.15 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 1kk0 s ILE 249 CO 0.11 -0.41 -0.22 -0.70 0.24 0.00 0.00 174.94 173.96 1kk0 s GLU 250 N -2.93 1.83 -0.13 0.37 2.12 0.17 -1.20 118.70 118.94 1kk0 s GLU 250 Ca 0.15 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.71 1kk0 s GLU 250 Cb -0.04 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.60 1kk0 s GLU 250 CO 0.05 0.46 -0.22 0.42 -0.54 0.00 0.00 175.26 175.43 1kk0 s ILE 251 N -0.48 2.04 0.10 -3.70 1.01 0.13 -2.09 121.20 118.22 1kk0 s ILE 251 Ca 0.07 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.82 1kk0 s ILE 251 Cb -0.09 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1kk0 s ILE 251 CO -0.01 0.55 -0.20 -0.13 0.00 0.00 0.00 174.94 175.16 1kk0 s ARG 252 N 0.73 1.09 0.46 2.79 0.52 -0.83 -1.79 118.95 121.92 1kk0 s ARG 252 Ca -0.09 -1.15 0.19 0.00 -0.52 0.00 0.00 55.73 54.15 1kk0 s ARG 252 Cb -0.16 -1.31 1.11 0.00 0.52 0.00 0.00 34.95 35.12 1kk0 s ARG 252 CO 0.00 0.30 1.99 -1.35 0.02 0.00 0.00 175.30 176.26 1kk0 h PRO 253 N 4.05 0.00 0.00 3.54 0.11 -1.87 0.83 132.00 138.66 1kk0 h PRO 253 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1kk0 h PRO 253 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1kk0 h PRO 253 CO 0.40 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 1kk0 n GLY 254 N -0.82 -0.63 3.74 -0.55 0.00 -1.24 -2.80 105.19 102.88 1kk0 n GLY 254 Ca -0.02 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1kk0 n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kk0 s VAL 255 N 0.00 4.83 0.38 1.61 1.01 -0.66 -4.71 120.40 122.87 1kk0 s VAL 255 Ca 0.00 1.54 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 1kk0 s VAL 255 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1kk0 s VAL 255 CO 0.00 0.34 1.05 -2.84 0.00 0.00 0.00 175.10 173.65 1kk0 s PRO 256 N 0.15 4.23 0.00 2.72 0.02 -1.26 -0.90 135.00 139.96 1kk0 s PRO 256 Ca 0.38 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 62.76 1kk0 s PRO 256 Cb -0.20 -2.62 0.03 0.00 0.02 0.00 0.00 34.50 31.73 1kk0 s PRO 256 CO 0.21 -0.09 0.38 1.52 -0.33 0.00 0.00 177.00 178.69 1kk0 s TYR 257 N -1.60 -0.25 -0.10 6.54 -0.85 0.00 -4.94 117.35 116.15 1kk0 s TYR 257 Ca 0.56 0.33 -0.10 0.00 -0.52 0.00 0.00 57.07 57.34 1kk0 s TYR 257 Cb -0.23 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.23 1kk0 s TYR 257 CO 0.29 -0.48 0.22 -2.00 -1.52 0.00 0.00 175.55 172.06 1kk0 s GLU 258 N -1.75 3.71 -0.13 -3.49 -6.30 -1.26 -0.49 118.70 108.98 1kk0 s GLU 258 Ca -0.10 0.01 -0.04 0.00 -2.50 0.00 0.00 54.97 52.34 1kk0 s GLU 258 Cb -0.03 -3.24 0.06 0.00 0.00 0.00 0.00 34.13 30.92 1kk0 s GLU 258 CO 0.02 0.66 0.18 -2.00 0.02 0.00 0.00 175.26 174.15 1kk0 s GLU 259 N -0.76 0.10 -1.29 4.30 2.12 0.10 -4.90 118.70 118.36 1kk0 s GLU 259 Ca 0.17 0.41 -0.07 0.00 0.36 0.00 0.00 54.97 55.84 1kk0 s GLU 259 Cb -0.13 -0.68 -0.00 0.00 0.26 0.00 0.00 34.13 33.58 1kk0 s GLU 259 CO 0.06 -0.45 0.61 0.72 -0.54 0.00 0.00 175.26 175.66 1kk0 n HIS 260 N 5.32 -1.80 -1.46 5.30 8.25 -1.26 -1.31 115.22 128.27 1kk0 n HIS 260 Ca -0.05 0.67 -0.16 0.00 -0.26 0.00 0.00 57.72 57.92 1kk0 n HIS 260 Cb 0.50 -3.80 -0.07 0.00 1.12 0.00 0.00 29.99 27.74 1kk0 n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kk0 n GLY 261 N -1.79 1.59 3.16 -1.41 0.00 -1.26 -4.99 105.19 100.50 1kk0 n GLY 261 Ca -0.24 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 1kk0 n GLY 261 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kk0 s ARG 262 N -3.32 0.88 -0.21 1.61 3.52 -0.43 -5.13 118.95 115.87 1kk0 s ARG 262 Ca 0.00 -0.88 -0.14 0.00 -0.13 0.00 0.00 55.73 54.58 1kk0 s ARG 262 Cb 0.00 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.45 1kk0 s ARG 262 CO 0.00 0.21 0.30 0.42 -0.81 0.00 0.00 175.30 175.42 1kk0 s ILE 263 N -1.10 5.27 0.35 4.11 1.01 -1.26 0.02 121.20 129.60 1kk0 s ILE 263 Ca -0.00 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.20 1kk0 s ILE 263 Cb -0.09 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1kk0 s ILE 263 CO 0.02 0.31 0.04 -0.54 0.00 0.00 0.00 174.94 174.77 1kk0 s LYS 264 N 1.07 1.75 -0.06 2.79 1.02 0.36 -4.96 119.74 121.71 1kk0 s LYS 264 Ca 0.15 -1.97 0.03 0.00 0.02 0.00 0.00 55.97 54.19 1kk0 s LYS 264 Cb -0.14 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.05 1kk0 s LYS 264 CO 0.06 -0.14 -0.14 0.71 -0.92 0.00 0.00 175.35 174.92 1kk0 s TYR 265 N -3.10 1.57 -0.26 3.18 1.51 -1.26 -0.82 117.35 118.17 1kk0 s TYR 265 Ca 0.36 -0.54 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 1kk0 s TYR 265 Cb 0.09 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1kk0 s TYR 265 CO 0.16 -0.24 0.07 -2.00 -1.11 0.00 0.00 175.55 172.43 1kk0 s GLU 266 N 0.42 3.57 0.52 -0.62 2.56 -0.08 -4.87 118.70 120.21 1kk0 s GLU 266 Ca -0.11 -0.53 -0.22 0.00 0.00 0.00 0.00 54.97 54.10 1kk0 s GLU 266 Cb -0.14 -3.33 -0.06 0.00 2.00 0.00 0.00 34.13 32.60 1kk0 s GLU 266 CO 0.03 -0.23 1.34 -2.30 -0.56 0.00 0.00 175.26 173.55 1kk0 n PRO 267 N 4.92 1.75 -4.89 4.30 -0.02 -1.12 -1.65 135.00 138.29 1kk0 n PRO 267 Ca -0.16 0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 1kk0 n PRO 267 Cb 0.51 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 1kk0 n PRO 267 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1kk0 s ILE 268 N -1.28 2.60 -0.05 4.25 1.10 -0.74 -4.87 121.20 122.21 1kk0 s ILE 268 Ca 0.69 -1.09 0.06 0.00 -0.51 0.00 0.00 60.65 59.80 1kk0 s ILE 268 Cb -0.43 -2.02 -0.02 0.00 0.15 0.00 0.00 42.46 40.14 1kk0 s ILE 268 CO 0.51 0.45 -0.21 -0.89 -2.11 0.00 0.00 174.94 172.69 1kk0 s THR 269 N -0.79 2.44 0.05 4.00 2.01 -1.26 0.22 115.64 122.30 1kk0 s THR 269 Ca 0.12 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1kk0 s THR 269 Cb -0.10 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1kk0 s THR 269 CO 0.02 0.58 0.08 1.07 -0.69 0.00 0.00 174.62 175.67 1kk0 n THR 270 N 2.61 0.00 -4.39 -0.82 5.66 -0.34 -5.00 114.28 112.00 1kk0 n THR 270 Ca -0.17 -0.23 -0.22 0.00 -3.05 0.00 0.00 64.05 60.38 1kk0 n THR 270 Cb 0.52 0.15 -0.13 0.00 -1.55 0.00 0.00 70.33 69.32 1kk0 n THR 270 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1kk0 s GLU 271 N -2.10 1.10 -0.34 1.09 2.12 -1.26 -1.26 118.70 118.05 1kk0 s GLU 271 Ca 0.04 -0.94 -0.28 0.00 0.36 0.00 0.00 54.97 54.14 1kk0 s GLU 271 Cb -0.00 -1.20 0.02 0.00 0.26 0.00 0.00 34.13 33.21 1kk0 s GLU 271 CO 0.03 0.29 1.05 0.42 -0.54 0.00 0.00 175.26 176.51 1kk0 s ILE 272 N -0.98 4.50 -0.08 -3.70 1.01 -0.49 -2.45 121.20 119.01 1kk0 s ILE 272 Ca 0.04 1.61 -0.10 0.00 0.00 0.00 0.00 60.65 62.19 1kk0 s ILE 272 Cb -0.09 -4.42 -0.28 0.00 0.01 0.00 0.00 42.46 37.68 1kk0 s ILE 272 CO 0.02 -0.53 0.53 0.58 0.00 0.00 0.00 174.94 175.54 1kk0 h VAL 273 N 5.79 0.82 -3.61 2.92 2.07 -0.20 0.16 116.25 124.21 1kk0 h VAL 273 Ca -0.21 -2.43 -0.07 0.00 0.82 0.00 0.00 66.70 64.81 1kk0 h VAL 273 Cb 1.06 2.65 -0.13 0.00 -1.52 0.00 0.00 31.29 33.36 1kk0 h VAL 273 CO 1.03 0.85 -0.20 -0.94 0.02 0.00 0.00 177.57 178.33 1kk0 s SER 274 N -7.17 -0.07 -0.02 0.57 1.04 -1.03 -4.78 113.70 102.25 1kk0 s SER 274 Ca -0.19 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1kk0 s SER 274 Cb 0.06 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1kk0 s SER 274 CO 0.81 -0.85 -0.03 -0.76 0.98 0.00 0.00 173.24 173.40 1kk0 s LEU 275 N -2.86 1.67 -0.08 2.42 1.43 -1.25 -0.10 118.68 119.91 1kk0 s LEU 275 Ca 0.07 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1kk0 s LEU 275 Cb 0.03 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.04 1kk0 s LEU 275 CO -0.08 -0.01 -0.10 -1.58 0.23 0.00 0.00 176.35 174.81 1kk0 s GLN 276 N 0.37 1.54 -0.10 1.70 0.74 -0.25 -0.40 119.66 123.26 1kk0 s GLN 276 Ca -0.04 -0.33 -0.23 0.00 0.05 0.00 0.00 55.36 54.81 1kk0 s GLN 276 Cb -0.07 -1.38 0.05 0.00 1.10 0.00 0.00 33.01 32.72 1kk0 s GLN 276 CO -0.01 -0.07 0.55 0.00 -0.55 0.00 0.00 175.29 175.22 1kk0 s ALA 277 N 0.98 -1.40 -1.83 1.58 0.00 -0.23 0.27 121.76 121.14 1kk0 s ALA 277 Ca -0.09 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1kk0 s ALA 277 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1kk0 s ALA 277 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1kk0 n GLY 278 N 1.65 1.70 1.71 0.00 0.00 -1.26 -1.87 105.19 107.13 1kk0 n GLY 278 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1kk0 n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk0 n GLY 279 N -0.72 0.50 3.19 -0.02 0.00 -1.26 -4.95 105.19 101.93 1kk0 n GLY 279 Ca -0.17 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 1kk0 n GLY 279 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kk0 s GLN 280 N -1.26 0.77 0.14 1.61 -0.21 -0.78 -5.14 119.66 114.80 1kk0 s GLN 280 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 1kk0 s GLN 280 Cb 0.00 0.32 -0.07 0.00 1.00 0.00 0.00 33.01 34.26 1kk0 s GLN 280 CO 0.00 -0.24 0.96 -0.06 -2.12 0.00 0.00 175.29 173.83 1kk0 s PHE 281 N -3.28 3.85 0.23 0.91 0.40 -1.26 -1.07 117.98 117.76 1kk0 s PHE 281 Ca 0.00 1.83 0.03 0.00 -0.60 0.00 0.00 56.93 58.19 1kk0 s PHE 281 Cb 0.02 -3.04 -0.05 0.00 0.51 0.00 0.00 43.02 40.46 1kk0 s PHE 281 CO -0.08 0.26 0.01 0.14 0.70 0.00 0.00 175.22 176.25 1kk0 s VAL 282 N -0.30 0.92 -0.82 -0.44 -7.23 0.47 -4.94 120.40 108.06 1kk0 s VAL 282 Ca 0.45 -2.02 0.23 0.00 -1.81 0.00 0.00 61.98 58.83 1kk0 s VAL 282 Cb -0.24 -2.34 -0.14 0.00 0.56 0.00 0.00 36.38 34.21 1kk0 s VAL 282 CO 0.30 -0.31 1.04 -0.62 -0.31 0.00 0.00 175.10 175.21 1kk0 n GLU 283 N -0.40 0.13 -3.71 4.82 -0.58 -1.26 -3.86 120.64 115.78 1kk0 n GLU 283 Ca -0.05 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.56 1kk0 n GLU 283 Cb 0.64 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 29.88 1kk0 n GLU 283 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1kk0 s GLU 284 N -3.09 0.50 0.12 3.49 2.12 -1.26 -1.61 118.70 118.97 1kk0 s GLU 284 Ca 0.06 0.72 0.09 0.00 0.36 0.00 0.00 54.97 56.21 1kk0 s GLU 284 Cb 0.16 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1kk0 s GLU 284 CO 0.81 -0.10 -0.23 0.00 -0.54 0.00 0.00 175.26 175.21 1kk0 s ALA 285 N 0.68 2.00 0.41 6.30 0.00 -0.14 -4.99 121.76 126.03 1kk0 s ALA 285 Ca -0.03 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.63 1kk0 s ALA 285 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1kk0 s ALA 285 CO -0.05 0.41 0.14 0.71 0.00 0.00 0.00 175.76 176.97 1kk0 s TYR 286 N -1.21 1.78 0.66 0.00 1.51 -1.26 -1.71 117.35 117.13 1kk0 s TYR 286 Ca 0.10 -1.32 -0.18 0.00 -1.01 0.00 0.00 57.07 54.66 1kk0 s TYR 286 Cb -0.10 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1kk0 s TYR 286 CO 0.05 -0.33 1.28 -2.14 -1.11 0.00 0.00 175.55 173.30 1kk0 s PRO 287 N -3.68 2.49 0.00 -1.71 0.02 -1.25 -4.61 135.00 126.25 1kk0 s PRO 287 Ca 0.24 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1kk0 s PRO 287 Cb 0.02 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1kk0 s PRO 287 CO 0.15 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.59 1kk0 n GLY 288 N 0.85 2.23 0.51 0.52 0.00 -1.26 -4.57 105.19 103.47 1kk0 n GLY 288 Ca 0.16 -1.08 0.07 0.00 0.00 0.00 0.00 46.02 45.17 1kk0 n GLY 288 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk0 n GLY 289 N 1.37 -1.69 3.79 -0.02 0.00 -1.26 -4.32 105.19 103.06 1kk0 n GLY 289 Ca 0.00 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1kk0 n GLY 289 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kk0 s LEU 290 N -4.39 4.41 -0.09 0.99 1.43 -1.26 -4.62 118.68 115.15 1kk0 s LEU 290 Ca 0.00 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.73 1kk0 s LEU 290 Cb 0.00 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1kk0 s LEU 290 CO 0.00 0.05 -0.17 -0.69 0.23 0.00 0.00 176.35 175.77 1kk0 s VAL 291 N -1.46 1.53 -0.10 -1.59 1.01 0.49 -4.50 120.40 115.78 1kk0 s VAL 291 Ca 0.43 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1kk0 s VAL 291 Cb -0.19 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1kk0 s VAL 291 CO 0.23 0.44 0.43 -0.83 0.00 0.00 0.00 175.10 175.37 1kk0 s GLY 292 N 0.62 2.38 -0.27 4.51 0.00 0.14 -1.70 107.32 113.01 1kk0 s GLY 292 Ca -0.15 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.36 1kk0 s GLY 292 CO 0.04 0.57 -0.10 0.14 0.00 0.00 0.00 173.10 173.76 1kk0 s VAL 293 N 0.22 2.15 0.02 1.40 1.01 0.13 -1.09 120.40 124.23 1kk0 s VAL 293 Ca 0.24 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.29 1kk0 s VAL 293 Cb -0.15 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1kk0 s VAL 293 CO 0.10 -0.07 0.77 -0.83 0.00 0.00 0.00 175.10 175.07 1kk0 s GLY 294 N 1.10 2.77 0.40 4.51 0.00 0.85 -1.03 107.32 115.91 1kk0 s GLY 294 Ca -0.07 0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1kk0 s GLY 294 CO -0.05 1.18 0.12 -1.30 0.00 0.00 0.00 173.10 173.04 1kk0 n THR 295 N 3.14 0.00 1.21 0.90 -2.24 -0.74 0.53 114.28 117.08 1kk0 n THR 295 Ca -0.01 -2.26 0.13 0.00 -2.27 0.00 0.00 64.05 59.63 1kk0 n THR 295 Cb 0.51 0.77 0.28 0.00 -2.10 0.00 0.00 70.33 69.78 1kk0 n THR 295 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kk0 n LYS 296 N -0.92 1.96 -1.69 -0.78 5.02 -1.02 -3.53 118.16 117.20 1kk0 n LYS 296 Ca -0.07 -1.45 -0.39 0.00 -2.02 0.00 0.00 58.31 54.38 1kk0 n LYS 296 Cb 0.59 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1kk0 n LYS 296 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kk0 n LEU 297 N 0.74 4.43 -4.67 -0.35 4.77 -1.26 -4.73 117.00 115.93 1kk0 n LEU 297 Ca 0.16 0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 56.70 1kk0 n LEU 297 Cb 0.49 -1.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1kk0 n LEU 297 CO 0.17 -0.94 1.49 -0.62 -1.33 0.00 0.00 177.39 176.15 1kk0 s ASP 298 N -0.85 6.51 0.62 -1.43 3.68 -1.26 -0.23 116.67 123.72 1kk0 s ASP 298 Ca 0.68 2.57 0.26 0.00 2.13 0.00 0.00 52.55 58.19 1kk0 s ASP 298 Cb -0.46 -2.54 1.28 0.00 -1.45 0.00 0.00 42.92 39.75 1kk0 s ASP 298 CO 0.52 -0.99 1.71 1.55 0.13 0.00 0.00 175.17 178.09 1kk0 h PRO 299 N 9.70 0.00 0.00 4.34 0.13 -1.88 0.15 132.00 144.44 1kk0 h PRO 299 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1kk0 h PRO 299 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1kk0 h PRO 299 CO 0.94 0.00 -0.15 1.88 -0.23 0.00 0.00 178.00 180.44 1kk0 h TYR 300 N 0.00 0.00 0.00 1.56 -1.99 -1.96 -1.05 116.97 113.53 1kk0 h TYR 300 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1kk0 h TYR 300 Cb 1.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.21 1kk0 h TYR 300 CO 0.00 0.15 0.00 -0.07 -0.00 0.00 0.00 178.16 178.24 1kk0 h LEU 301 N 0.00 0.00 0.00 3.88 3.38 -1.06 -3.33 115.31 118.18 1kk0 h LEU 301 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kk0 h LEU 301 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1kk0 h LEU 301 CO 0.02 0.00 -1.33 0.35 0.09 0.00 0.00 178.44 177.57 1kk0 n THR 302 N -2.86 0.00 -1.65 0.22 -2.24 -0.98 -4.55 114.28 102.22 1kk0 n THR 302 Ca 0.04 -0.23 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 1kk0 n THR 302 Cb 0.48 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 1kk0 n THR 302 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kk0 n LYS 303 N -1.76 1.76 -2.49 -0.78 4.81 -0.44 -2.55 118.16 116.71 1kk0 n LYS 303 Ca -0.01 0.62 -0.17 0.00 -0.87 0.00 0.00 58.31 57.87 1kk0 n LYS 303 Cb 0.24 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1kk0 n LYS 303 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kk0 n GLY 304 N 1.13 -0.30 2.70 3.14 0.00 -1.26 -3.18 105.19 107.42 1kk0 n GLY 304 Ca 0.08 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1kk0 n GLY 304 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kk0 n ASP 305 N -1.31 -5.64 -1.08 1.61 8.00 -0.30 -4.99 116.55 112.83 1kk0 n ASP 305 Ca -0.16 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1kk0 n ASP 305 Cb 0.63 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1kk0 n ASP 305 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1kk0 n LEU 306 N -3.33 0.46 -0.52 0.64 0.00 -1.19 -4.76 117.00 108.31 1kk0 n LEU 306 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.63 1kk0 n LEU 306 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.97 1kk0 n LEU 306 CO 0.37 0.08 -0.14 0.00 0.00 0.00 0.00 177.39 177.69 1kk0 n ALA 308 N 1.02 -1.92 0.00 1.96 0.00 -1.26 -4.97 120.51 115.33 1kk0 n ALA 308 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1kk0 n ALA 308 Cb 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1kk0 n ALA 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kk0 n GLY 309 N -0.76 2.50 3.76 0.00 0.00 0.74 -4.92 105.19 106.51 1kk0 n GLY 309 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1kk0 n GLY 309 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kk0 s ASN 310 N -1.77 3.94 -0.05 1.61 0.02 -1.26 -3.95 114.94 113.48 1kk0 s ASN 310 Ca 0.00 1.33 0.05 0.00 -1.02 0.00 0.00 52.86 53.23 1kk0 s ASN 310 Cb 0.00 -2.03 -0.02 0.00 0.02 0.00 0.00 41.25 39.22 1kk0 s ASN 310 CO 0.00 -2.32 -0.19 -0.69 0.02 0.00 0.00 177.10 173.91 1kk0 s VAL 311 N -3.08 2.61 -0.06 1.60 1.01 0.29 -1.23 120.40 121.54 1kk0 s VAL 311 Ca 0.62 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1kk0 s VAL 311 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1kk0 s VAL 311 CO 0.55 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 175.40 1kk0 s VAL 312 N -0.55 3.00 0.01 2.92 1.01 -1.26 -1.96 120.40 123.57 1kk0 s VAL 312 Ca 0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1kk0 s VAL 312 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1kk0 s VAL 312 CO 0.01 0.58 0.02 0.61 0.00 0.00 0.00 175.10 176.33 1kk0 n GLY 313 N 2.46 1.92 3.86 4.51 0.00 -0.89 -3.93 105.19 113.11 1kk0 n GLY 313 Ca -0.17 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1kk0 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kk0 s LYS 314 N -2.00 3.83 0.03 1.61 1.02 -1.26 -0.66 119.74 122.32 1kk0 s LYS 314 Ca 0.00 0.28 -0.38 0.00 0.02 0.00 0.00 55.97 55.89 1kk0 s LYS 314 Cb -0.00 -2.98 -0.19 0.00 -0.52 0.00 0.00 37.83 34.13 1kk0 s LYS 314 CO 0.00 0.54 0.98 -2.30 -0.92 0.00 0.00 175.35 173.65 1kk0 n PRO 315 N 0.89 0.01 -0.87 -1.68 -0.02 -1.26 -0.81 135.00 131.26 1kk0 n PRO 315 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1kk0 n PRO 315 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1kk0 n PRO 315 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk0 n GLY 316 N 1.59 0.47 2.57 -1.23 0.00 -1.26 -4.88 105.19 102.46 1kk0 n GLY 316 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1kk0 n GLY 316 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kk0 n LYS 317 N -1.75 2.29 -4.35 1.61 5.02 0.01 -5.07 118.16 115.91 1kk0 n LYS 317 Ca 0.00 -3.98 -0.19 0.00 -2.02 0.00 0.00 58.31 52.13 1kk0 n LYS 317 Cb 0.08 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.16 1kk0 n LYS 317 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kk0 s LEU 318 N -3.24 2.55 0.80 -0.35 1.02 -1.26 -4.38 118.68 113.83 1kk0 s LEU 318 Ca 0.40 -1.03 -0.11 0.00 0.02 0.00 0.00 54.13 53.41 1kk0 s LEU 318 Cb 0.40 -0.68 0.08 0.00 0.02 0.00 0.00 46.19 46.00 1kk0 s LEU 318 CO -0.09 -0.17 1.11 -2.16 0.02 0.00 0.00 176.35 175.06 1kk0 s PRO 319 N -3.65 1.93 0.91 1.29 0.04 -1.26 -4.99 135.00 129.28 1kk0 s PRO 319 Ca 0.23 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1kk0 s PRO 319 Cb -0.01 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.82 1kk0 s PRO 319 CO 0.07 -1.91 1.09 -1.25 0.04 0.00 0.00 177.00 175.05 1kk0 s PRO 320 N -4.74 1.09 -0.13 0.56 0.04 -1.24 -4.64 135.00 125.95 1kk0 s PRO 320 Ca 0.64 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 1kk0 s PRO 320 Cb -0.19 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1kk0 s PRO 320 CO 0.55 -2.39 0.06 0.08 0.04 0.00 0.00 177.00 175.34 1kk0 s VAL 321 N -2.84 4.76 -0.06 -0.36 1.01 -1.26 -1.95 120.40 119.69 1kk0 s VAL 321 Ca 0.64 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1kk0 s VAL 321 Cb -0.19 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1kk0 s VAL 321 CO 0.58 0.56 -0.18 0.26 0.00 0.00 0.00 175.10 176.32 1kk0 s TRP 322 N -0.49 2.61 -0.17 5.22 0.52 0.37 -4.94 118.94 122.06 1kk0 s TRP 322 Ca 0.10 -0.43 0.22 0.00 0.02 0.00 0.00 56.10 56.01 1kk0 s TRP 322 Cb -0.12 -1.65 -0.30 0.00 -1.15 0.00 0.00 33.47 30.25 1kk0 s TRP 322 CO 0.02 -0.02 0.57 -0.25 0.02 0.00 0.00 176.95 177.29 1kk0 n ASP 323 N 2.72 0.18 -3.67 2.95 8.00 -1.26 -2.07 116.55 123.40 1kk0 n ASP 323 Ca -0.17 -0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.09 1kk0 n ASP 323 Cb 0.52 1.77 -0.06 0.00 -0.02 0.00 0.00 41.12 43.33 1kk0 n ASP 323 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1kk0 s SER 324 N -4.36 -0.27 0.05 -2.24 1.04 -1.26 -1.29 113.70 105.37 1kk0 s SER 324 Ca -0.05 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.38 1kk0 s SER 324 Cb 0.14 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1kk0 s SER 324 CO 0.90 -0.67 -0.12 -0.76 0.98 0.00 0.00 173.24 173.57 1kk0 s LEU 325 N -2.04 2.23 -0.26 2.42 1.43 -0.30 -4.96 118.68 117.20 1kk0 s LEU 325 Ca -0.05 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1kk0 s LEU 325 Cb -0.01 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1kk0 s LEU 325 CO -0.03 -0.08 0.01 -0.60 0.23 0.00 0.00 176.35 175.88 1kk0 s ARG 326 N -1.44 3.16 -0.10 1.70 3.52 -1.26 -0.75 118.95 123.78 1kk0 s ARG 326 Ca -0.03 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 1kk0 s ARG 326 Cb -0.09 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 1kk0 s ARG 326 CO 0.01 -0.34 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.48 1kk0 s LEU 327 N 1.46 2.49 -0.29 -0.88 1.43 0.33 -0.50 118.68 122.72 1kk0 s LEU 327 Ca 0.03 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 1kk0 s LEU 327 Cb -0.16 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1kk0 s LEU 327 CO -0.01 0.21 0.96 -0.70 0.23 0.00 0.00 176.35 177.05 1kk0 s GLU 328 N 0.06 4.08 -0.13 1.70 2.12 -0.64 -1.36 118.70 124.54 1kk0 s GLU 328 Ca -0.07 0.97 -0.09 0.00 0.36 0.00 0.00 54.97 56.14 1kk0 s GLU 328 Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1kk0 s GLU 328 CO 0.05 -0.75 0.17 0.08 -0.54 0.00 0.00 175.26 174.27 1kk0 s VAL 329 N 3.30 5.43 -0.28 3.70 1.01 0.12 -0.86 120.40 132.82 1kk0 s VAL 329 Ca 0.40 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1kk0 s VAL 329 Cb -0.14 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1kk0 s VAL 329 CO 0.12 0.57 0.04 -1.00 0.00 0.00 0.00 175.10 174.83 1kk0 s HIS 330 N -0.68 2.25 0.23 5.22 3.76 -0.32 -4.76 115.29 120.99 1kk0 s HIS 330 Ca 0.15 -1.90 -0.30 0.00 -0.15 0.00 0.00 55.06 52.85 1kk0 s HIS 330 Cb -0.12 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.64 1kk0 s HIS 330 CO 0.04 -0.83 0.97 -0.51 -0.85 0.00 0.00 174.74 173.56 1kk0 s LEU 331 N 1.43 4.61 0.27 0.89 1.43 -1.26 -1.81 118.68 124.25 1kk0 s LEU 331 Ca 0.04 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1kk0 s LEU 331 Cb -0.18 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 1kk0 s LEU 331 CO -0.14 0.07 0.95 -0.76 0.23 0.00 0.00 176.35 176.70 1kk0 s LEU 332 N -1.04 4.53 -1.12 1.79 1.43 0.13 -4.94 118.68 119.46 1kk0 s LEU 332 Ca 0.43 1.93 -0.08 0.00 -1.03 0.00 0.00 54.13 55.37 1kk0 s LEU 332 Cb -0.27 -3.76 0.28 0.00 0.03 0.00 0.00 46.19 42.47 1kk0 s LEU 332 CO 0.33 0.06 1.24 -0.62 0.23 0.00 0.00 176.35 177.59 1kk0 n GLU 333 N 1.14 3.73 -1.71 1.70 1.02 -1.26 -4.91 120.64 120.35 1kk0 n GLU 333 Ca -0.01 -4.41 -0.32 0.00 -0.02 0.00 0.00 57.16 52.41 1kk0 n GLU 333 Cb 0.48 -2.59 0.04 0.00 -0.02 0.00 0.00 31.44 29.35 1kk0 n GLU 333 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1kk0 s ARG 334 N -1.35 3.01 0.00 3.49 0.52 -1.26 -5.00 118.95 118.36 1kk0 s ARG 334 Ca 0.32 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1kk0 s ARG 334 Cb -0.06 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1kk0 s ARG 334 CO -0.03 -1.04 0.15 1.33 0.02 0.00 0.00 175.30 175.72 1kk0 n VAL 335 N -2.78 0.00 -3.78 3.52 0.24 -1.26 -4.90 118.33 109.37 1kk0 n VAL 335 Ca 0.08 -0.37 -0.36 0.00 -2.04 0.00 0.00 64.34 61.65 1kk0 n VAL 335 Cb 0.53 1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 33.89 1kk0 n VAL 335 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1kk0 s VAL 336 N -0.44 4.61 0.00 3.34 1.01 -1.26 -4.93 120.40 122.72 1kk0 s VAL 336 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1kk0 s VAL 336 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1kk0 s VAL 336 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1kk0 n GLY 337 N 4.66 1.67 3.62 4.51 0.00 -1.26 -4.90 105.19 113.48 1kk0 n GLY 337 Ca -0.16 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 1kk0 n GLY 337 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kk0 s THR 338 N -1.49 1.81 0.20 2.61 -4.23 -1.26 -4.89 115.64 108.39 1kk0 s THR 338 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 1kk0 s THR 338 Cb 0.00 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.57 1kk0 s THR 338 CO 0.00 0.00 1.61 1.05 -0.54 0.00 0.00 174.62 176.74 1kk0 h GLU 339 N -2.28 -0.07 0.00 3.99 -0.00 -2.00 -2.92 114.58 111.29 1kk0 h GLU 339 Ca -0.51 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 58.61 1kk0 h GLU 339 Cb 1.32 0.02 -0.04 0.00 -0.00 0.00 0.00 28.75 30.04 1kk0 h GLU 339 CO 0.47 -0.05 -1.44 1.96 -0.00 0.00 0.00 179.01 179.95 1kk0 h GLN 340 N -0.07 0.00 0.00 1.06 7.50 -2.03 -3.34 115.11 118.23 1kk0 h GLN 340 Ca 0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.42 1kk0 h GLN 340 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1kk0 h GLN 340 CO -0.66 0.57 0.33 0.93 -1.50 0.00 0.00 178.83 178.51 1kk0 h GLU 341 N 0.00 0.00 0.00 1.46 5.08 -1.87 0.20 114.58 119.45 1kk0 h GLU 341 Ca -0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1kk0 h GLU 341 Cb 1.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1kk0 h GLU 341 CO 0.08 0.00 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.22 1kk0 h LEU 342 N 0.00 0.00 -1.30 1.33 3.38 -1.68 -3.37 115.31 113.68 1kk0 h LEU 342 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1kk0 h LEU 342 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1kk0 h LEU 342 CO 0.00 0.14 -0.28 0.11 0.09 0.00 0.00 178.44 178.50 1kk0 h LYS 343 N 0.00 0.11 -5.87 1.13 1.57 -0.81 -3.43 116.57 109.26 1kk0 h LYS 343 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1kk0 h LYS 343 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1kk0 h LYS 343 CO 0.01 0.39 -0.07 0.28 -0.57 0.00 0.00 179.45 179.49 1kk0 n VAL 344 N -4.17 -1.02 -2.66 0.50 0.31 -1.26 -4.92 118.33 105.11 1kk0 n VAL 344 Ca -0.02 0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 63.99 1kk0 n VAL 344 Cb 0.36 -2.41 -0.05 0.00 -0.91 0.00 0.00 33.84 30.82 1kk0 n VAL 344 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1kk0 s GLU 345 N -0.07 4.26 0.70 5.55 0.41 -1.26 -5.00 118.70 123.29 1kk0 s GLU 345 Ca 0.00 1.37 -0.16 0.00 -0.41 0.00 0.00 54.97 55.77 1kk0 s GLU 345 Cb 0.00 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.81 1kk0 s GLU 345 CO 0.00 -0.03 0.60 -2.30 -0.49 0.00 0.00 175.26 173.03 1kk0 n PRO 346 N -0.10 0.37 -2.40 0.39 -0.02 -1.26 -4.91 135.00 127.07 1kk0 n PRO 346 Ca 0.05 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1kk0 n PRO 346 Cb 0.51 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1kk0 n PRO 346 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kk0 s ILE 347 N -1.87 3.83 0.18 4.25 1.01 -1.26 -5.04 121.20 122.31 1kk0 s ILE 347 Ca 0.67 1.39 0.08 0.00 0.00 0.00 0.00 60.65 62.79 1kk0 s ILE 347 Cb -0.36 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1kk0 s ILE 347 CO 0.56 0.15 -0.05 -0.54 0.00 0.00 0.00 174.94 175.06 1kk0 s LYS 348 N 0.58 2.22 0.70 2.79 1.02 -1.26 -5.08 119.74 120.71 1kk0 s LYS 348 Ca 0.57 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 55.19 1kk0 s LYS 348 Cb -0.31 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1kk0 s LYS 348 CO 0.32 0.44 1.20 -2.13 -0.92 0.00 0.00 175.35 174.26 1kk0 n ARG 349 N -0.06 0.78 -0.43 1.68 0.63 -1.26 -2.35 116.66 115.65 1kk0 n ARG 349 Ca -0.10 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1kk0 n ARG 349 Cb 0.55 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 31.02 1kk0 n ARG 349 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1kk0 n LYS 350 N -2.19 0.00 -2.36 -0.14 5.02 0.50 -4.97 118.16 114.02 1kk0 n LYS 350 Ca 0.15 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.07 1kk0 n LYS 350 Cb 0.49 -2.18 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 1kk0 n LYS 350 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1kk0 s GLU 351 N -0.05 3.85 -0.33 1.97 2.02 -0.99 -4.73 118.70 120.44 1kk0 s GLU 351 Ca 0.00 1.66 -0.05 0.00 0.02 0.00 0.00 54.97 56.60 1kk0 s GLU 351 Cb 0.00 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 31.88 1kk0 s GLU 351 CO 0.00 -0.45 0.08 0.08 0.02 0.00 0.00 175.26 174.99 1kk0 s VAL 352 N -1.62 3.57 0.22 2.63 1.01 -1.26 -0.91 120.40 124.04 1kk0 s VAL 352 Ca 0.63 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1kk0 s VAL 352 Cb -0.25 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1kk0 s VAL 352 CO 0.31 -0.17 0.33 -0.76 0.00 0.00 0.00 175.10 174.81 1kk0 s LEU 353 N 1.36 4.28 -0.24 3.92 1.43 0.14 -4.71 118.68 124.86 1kk0 s LEU 353 Ca -0.02 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1kk0 s LEU 353 Cb -0.20 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1kk0 s LEU 353 CO 0.02 -0.04 0.17 -0.22 0.23 0.00 0.00 176.35 176.51 1kk0 s LEU 354 N -3.79 4.11 -0.06 1.79 2.96 -0.42 0.18 118.68 123.45 1kk0 s LEU 354 Ca 0.34 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 1kk0 s LEU 354 Cb -0.09 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1kk0 s LEU 354 CO 0.29 0.05 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.38 1kk0 s LEU 355 N 1.13 2.21 -0.13 -0.68 1.43 0.12 -0.73 118.68 122.03 1kk0 s LEU 355 Ca 0.08 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1kk0 s LEU 355 Cb -0.14 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.69 1kk0 s LEU 355 CO 0.05 0.25 -0.12 0.20 0.23 0.00 0.00 176.35 176.97 1kk0 s ASN 356 N -0.21 2.46 -0.09 2.29 0.01 -0.87 -1.24 114.94 117.29 1kk0 s ASN 356 Ca -0.02 -0.41 -0.01 0.00 -0.71 0.00 0.00 52.86 51.71 1kk0 s ASN 356 Cb -0.13 -1.04 0.03 0.00 0.41 0.00 0.00 41.25 40.52 1kk0 s ASN 356 CO 0.03 -0.08 -0.00 0.54 -1.51 0.00 0.00 177.10 176.08 1kk0 s VAL 357 N 1.54 0.47 0.00 1.60 0.11 -0.51 -0.66 120.40 122.94 1kk0 s VAL 357 Ca 0.04 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1kk0 s VAL 357 Cb -0.13 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1kk0 s VAL 357 CO -0.09 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1kk0 n GLY 358 N 5.11 2.72 0.99 6.54 0.00 -0.42 -1.02 105.19 119.11 1kk0 n GLY 358 Ca -0.08 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1kk0 n GLY 358 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kk0 n THR 359 N 0.00 0.18 -2.94 2.61 -2.24 -1.26 -4.47 114.28 106.16 1kk0 n THR 359 Ca 0.00 -0.56 -0.35 0.00 -2.27 0.00 0.00 64.05 60.87 1kk0 n THR 359 Cb 0.00 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1kk0 n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kk0 s ALA 360 N -1.82 3.24 -0.03 6.98 0.00 -0.19 -4.00 121.76 125.94 1kk0 s ALA 360 Ca 0.32 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 1kk0 s ALA 360 Cb 0.21 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1kk0 s ALA 360 CO 0.31 0.24 0.02 0.50 0.00 0.00 0.00 175.76 176.82 1kk0 s ARG 361 N -2.49 0.09 0.00 0.00 3.52 -1.26 -1.43 118.95 117.38 1kk0 s ARG 361 Ca 0.52 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 1kk0 s ARG 361 Cb -0.14 -0.37 0.00 0.00 -1.56 0.00 0.00 34.95 32.88 1kk0 s ARG 361 CO 0.19 -0.17 0.00 -2.37 -0.81 0.00 0.00 175.30 172.14 1kk0 n THR 362 N 4.28 0.00 -3.65 4.11 5.66 -0.37 -4.95 114.28 119.36 1kk0 n THR 362 Ca -0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1kk0 n THR 362 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.22 1kk0 n THR 362 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1kk0 s GLY 364 N 0.00 0.43 -0.25 1.09 0.00 0.13 -0.71 107.32 108.02 1kk0 s GLY 364 Ca 0.00 3.61 -0.12 0.00 0.00 0.00 0.00 44.72 48.21 1kk0 s GLY 364 CO 0.00 2.55 0.22 -2.27 0.00 0.00 0.00 173.10 173.60 1kk0 s LEU 365 N 0.89 4.09 -0.26 0.66 2.96 -0.18 0.24 118.68 127.08 1kk0 s LEU 365 Ca -0.05 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 1kk0 s LEU 365 Cb -0.03 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 1kk0 s LEU 365 CO -0.12 -0.00 1.37 -0.69 -1.32 0.00 0.00 176.35 175.59 1kk0 s VAL 366 N 1.35 4.05 -0.62 1.68 1.01 -0.09 -0.53 120.40 127.25 1kk0 s VAL 366 Ca 0.10 1.20 0.13 0.00 0.00 0.00 0.00 61.98 63.40 1kk0 s VAL 366 Cb -0.14 -4.03 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 1kk0 s VAL 366 CO 0.07 -0.39 0.56 0.35 0.00 0.00 0.00 175.10 175.68 1kk0 n THR 367 N 6.15 0.00 -3.46 3.92 -2.24 0.41 -0.37 114.28 118.69 1kk0 n THR 367 Ca 0.16 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1kk0 n THR 367 Cb 0.46 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1kk0 n THR 367 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1kk0 s GLY 368 N -2.25 -0.56 0.05 3.38 0.00 -1.11 -4.97 107.32 101.87 1kk0 s GLY 368 Ca 0.05 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.59 1kk0 s GLY 368 CO 0.54 0.32 -0.13 1.08 0.00 0.00 0.00 173.10 174.90 1kk0 s LEU 369 N -2.47 2.22 0.00 0.66 1.43 -1.26 -0.60 118.68 118.66 1kk0 s LEU 369 Ca 0.01 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1kk0 s LEU 369 Cb -0.01 -0.51 -0.00 0.00 0.03 0.00 0.00 46.19 45.70 1kk0 s LEU 369 CO -0.09 -0.04 0.03 0.61 0.23 0.00 0.00 176.35 177.09 1kk0 n GLY 370 N 1.62 3.90 3.62 -3.19 0.00 0.17 -4.95 105.19 106.35 1kk0 n GLY 370 Ca -0.20 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1kk0 n GLY 370 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kk0 s LYS 371 N -2.12 3.77 -1.47 1.61 2.20 -1.26 -2.82 119.74 119.66 1kk0 s LYS 371 Ca 0.03 1.15 -0.10 0.00 -0.36 0.00 0.00 55.97 56.69 1kk0 s LYS 371 Cb 0.00 -3.95 0.06 0.00 -1.51 0.00 0.00 37.83 32.43 1kk0 s LYS 371 CO 0.02 -1.32 0.85 -0.25 -0.36 0.00 0.00 175.35 174.30 1kk0 n ASP 372 N 8.18 -5.16 -3.77 1.43 10.43 -1.26 -4.93 116.55 121.47 1kk0 n ASP 372 Ca 0.16 -0.57 -0.13 0.00 2.57 0.00 0.00 54.79 56.82 1kk0 n ASP 372 Cb 0.47 -4.13 -0.09 0.00 1.84 0.00 0.00 41.12 39.21 1kk0 n ASP 372 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1kk0 s GLU 373 N -6.27 0.63 0.05 -1.24 2.12 -1.13 -0.70 118.70 112.16 1kk0 s GLU 373 Ca 0.53 -0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.69 1kk0 s GLU 373 Cb -0.26 0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1kk0 s GLU 373 CO 0.66 -0.17 -0.04 0.96 -0.54 0.00 0.00 175.26 176.13 1kk0 s ILE 374 N -1.24 0.28 -0.13 -3.70 -4.36 -0.46 -0.65 121.20 110.93 1kk0 s ILE 374 Ca -0.13 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 1kk0 s ILE 374 Cb -0.05 -1.03 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 1kk0 s ILE 374 CO 0.04 -0.76 -0.19 -0.70 0.24 0.00 0.00 174.94 173.57 1kk0 s GLU 375 N -2.86 3.15 -0.04 0.37 2.56 0.23 -0.51 118.70 121.59 1kk0 s GLU 375 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 54.97 54.19 1kk0 s GLU 375 Cb -0.00 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.63 1kk0 s GLU 375 CO -0.05 0.08 -0.14 0.14 -0.56 0.00 0.00 175.26 174.73 1kk0 s VAL 376 N 0.63 1.18 -0.09 3.70 -7.23 0.07 -0.44 120.40 118.21 1kk0 s VAL 376 Ca -0.10 -0.56 -0.22 0.00 -1.81 0.00 0.00 61.98 59.29 1kk0 s VAL 376 Cb -0.16 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1kk0 s VAL 376 CO 0.03 0.35 0.66 -0.75 -0.31 0.00 0.00 175.10 175.08 1kk0 s LYS 377 N 0.25 4.39 0.11 4.82 2.47 0.31 -1.15 119.74 130.95 1kk0 s LYS 377 Ca -0.07 0.79 -0.18 0.00 -1.56 0.00 0.00 55.97 54.95 1kk0 s LYS 377 Cb -0.12 -3.46 -0.07 0.00 -1.46 0.00 0.00 37.83 32.72 1kk0 s LYS 377 CO 0.02 0.04 0.58 -0.51 0.16 0.00 0.00 175.35 175.64 1kk0 s LEU 378 N 0.92 4.47 0.13 5.43 1.43 -0.41 -1.02 118.68 129.63 1kk0 s LEU 378 Ca 0.35 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 1kk0 s LEU 378 Cb -0.17 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1kk0 s LEU 378 CO 0.16 0.21 1.47 -0.61 0.23 0.00 0.00 176.35 177.81 1kk0 h GLN 379 N 4.19 0.85 -4.85 1.70 4.15 -1.91 -3.43 115.11 115.81 1kk0 h GLN 379 Ca -0.49 -0.42 -0.57 0.00 0.77 0.00 0.00 58.65 57.94 1kk0 h GLN 379 Cb 1.21 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.57 1kk0 h GLN 379 CO 0.64 1.06 -0.84 0.42 -1.93 0.00 0.00 178.83 178.19 1kk0 s ILE 380 N -4.47 1.45 0.70 2.39 -1.09 -1.26 -5.13 121.20 113.79 1kk0 s ILE 380 Ca -0.12 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.47 1kk0 s ILE 380 Cb 0.10 -1.29 0.02 0.00 -1.58 0.00 0.00 42.46 39.71 1kk0 s ILE 380 CO 0.86 0.43 1.26 -2.84 -1.23 0.00 0.00 174.94 173.41 1kk0 s PRO 381 N 0.52 2.25 0.08 2.79 0.02 -1.26 -4.89 135.00 134.51 1kk0 s PRO 381 Ca -0.15 1.96 0.06 0.00 0.02 0.00 0.00 61.00 62.89 1kk0 s PRO 381 Cb -0.16 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1kk0 s PRO 381 CO 0.05 -1.80 -0.16 0.14 -0.33 0.00 0.00 177.00 174.90 1kk0 s VAL 382 N -1.65 1.29 -0.35 3.83 -7.23 -0.88 -4.82 120.40 110.59 1kk0 s VAL 382 Ca 0.79 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.46 1kk0 s VAL 382 Cb -0.34 -1.22 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 1kk0 s VAL 382 CO 0.43 -0.18 0.23 0.00 -0.31 0.00 0.00 175.10 175.27 1kk0 s ALA 384 N 1.67 -1.17 0.09 0.00 0.00 -0.82 -4.89 121.76 116.63 1kk0 s ALA 384 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1kk0 s ALA 384 Cb -0.18 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1kk0 s ALA 384 CO 0.09 -0.81 0.23 -1.21 0.00 0.00 0.00 175.76 174.06 1kk0 s GLU 385 N -3.84 3.44 0.44 0.00 0.41 -1.26 -3.59 118.70 114.30 1kk0 s GLU 385 Ca 0.07 -0.49 -0.25 0.00 -0.41 0.00 0.00 54.97 53.88 1kk0 s GLU 385 Cb -0.01 -3.02 -0.08 0.00 -1.78 0.00 0.00 34.13 29.24 1kk0 s GLU 385 CO -0.05 0.58 1.41 -2.14 -0.49 0.00 0.00 175.26 174.57 1kk0 s PRO 386 N -2.74 3.73 0.00 0.39 0.02 -1.26 -1.62 135.00 133.53 1kk0 s PRO 386 Ca 0.35 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1kk0 s PRO 386 Cb -0.12 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1kk0 s PRO 386 CO 0.28 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1kk0 n GLY 387 N 0.59 2.43 3.76 0.52 0.00 0.57 -4.98 105.19 108.08 1kk0 n GLY 387 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1kk0 n GLY 387 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk0 s ASP 388 N -1.45 5.55 -0.02 1.61 1.01 -0.64 -4.59 116.67 118.14 1kk0 s ASP 388 Ca 0.00 2.35 -0.16 0.00 0.71 0.00 0.00 52.55 55.44 1kk0 s ASP 388 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1kk0 s ASP 388 CO 0.00 -1.34 0.45 -0.60 0.21 0.00 0.00 175.17 173.89 1kk0 s ARG 389 N -3.14 4.09 -0.11 8.23 3.52 -1.26 -1.24 118.95 129.03 1kk0 s ARG 389 Ca 0.73 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.82 1kk0 s ARG 389 Cb -0.29 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1kk0 s ARG 389 CO 0.33 0.54 -0.16 0.08 -0.81 0.00 0.00 175.30 175.28 1kk0 s VAL 390 N -0.62 1.53 0.25 7.11 1.01 0.36 -4.53 120.40 125.51 1kk0 s VAL 390 Ca 0.25 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1kk0 s VAL 390 Cb -0.17 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 1kk0 s VAL 390 CO 0.13 0.45 1.00 0.00 0.00 0.00 0.00 175.10 176.68 1kk0 s ALA 391 N 0.96 3.36 -0.15 5.51 0.00 0.16 -0.11 121.76 131.50 1kk0 s ALA 391 Ca -0.07 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1kk0 s ALA 391 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1kk0 s ALA 391 CO -0.01 0.08 -0.19 0.42 0.00 0.00 0.00 175.76 176.06 1kk0 s ILE 392 N -1.15 2.33 0.11 0.00 1.01 -0.27 -2.06 121.20 121.17 1kk0 s ILE 392 Ca 0.42 -0.88 0.09 0.00 0.00 0.00 0.00 60.65 60.28 1kk0 s ILE 392 Cb -0.28 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1kk0 s ILE 392 CO 0.35 0.53 -0.24 -0.44 0.00 0.00 0.00 174.94 175.14 1kk0 s SER 393 N 0.88 2.92 -0.02 3.58 0.01 0.09 -1.45 113.70 119.72 1kk0 s SER 393 Ca -0.05 -0.70 0.07 0.00 1.31 0.00 0.00 55.95 56.58 1kk0 s SER 393 Cb -0.15 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 1kk0 s SER 393 CO -0.02 0.13 -0.24 -0.60 0.41 0.00 0.00 173.24 172.92 1kk0 s ARG 394 N -1.90 1.92 -0.99 12.44 3.52 0.01 -1.30 118.95 132.64 1kk0 s ARG 394 Ca 0.10 -0.85 -0.22 0.00 -0.13 0.00 0.00 55.73 54.64 1kk0 s ARG 394 Cb -0.10 -1.85 0.08 0.00 -1.56 0.00 0.00 34.95 31.51 1kk0 s ARG 394 CO 0.05 0.51 1.35 -1.14 -0.81 0.00 0.00 175.30 175.26 1kk0 s GLN 395 N -0.56 3.60 -1.23 5.12 0.74 -1.26 -0.47 119.66 125.60 1kk0 s GLN 395 Ca 0.09 -1.34 -0.14 0.00 0.05 0.00 0.00 55.36 54.01 1kk0 s GLN 395 Cb -0.09 -5.22 0.15 0.00 1.10 0.00 0.00 33.01 28.95 1kk0 s GLN 395 CO -0.01 -2.07 1.51 -0.89 -0.55 0.00 0.00 175.29 173.29 1kk0 n ILE 396 N 6.42 4.20 0.00 -2.34 5.41 -0.70 -4.68 119.36 127.67 1kk0 n ILE 396 Ca 0.30 -4.60 0.00 0.00 1.00 0.00 0.00 62.75 59.45 1kk0 n ILE 396 Cb 0.50 -2.44 0.00 0.00 -0.71 0.00 0.00 39.64 36.99 1kk0 n ILE 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kk0 n GLY 397 N 4.26 1.78 0.00 7.39 0.00 -1.26 -4.30 105.19 113.06 1kk0 n GLY 397 Ca 0.39 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1kk0 n GLY 397 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kk0 n SER 398 N 1.75 0.00 -4.53 1.61 3.41 -1.26 -5.11 113.62 109.49 1kk0 n SER 398 Ca 0.00 -0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 57.81 1kk0 n SER 398 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1kk0 n SER 398 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kk0 s ARG 399 N 0.00 1.83 -0.22 4.33 0.52 -1.26 -5.10 118.95 119.06 1kk0 s ARG 399 Ca 0.00 -1.80 -0.15 0.00 -0.52 0.00 0.00 55.73 53.26 1kk0 s ARG 399 Cb 0.00 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 1kk0 s ARG 399 CO 0.00 0.24 0.37 -1.58 0.02 0.00 0.00 175.30 174.35 1kk0 s TRP 400 N -2.53 3.35 -0.10 -0.53 0.52 -1.26 -1.72 118.94 116.67 1kk0 s TRP 400 Ca 0.32 0.55 0.04 0.00 0.02 0.00 0.00 56.10 57.02 1kk0 s TRP 400 Cb -0.02 -2.51 0.00 0.00 -1.15 0.00 0.00 33.47 29.79 1kk0 s TRP 400 CO 0.17 -0.04 -0.23 0.50 0.02 0.00 0.00 176.95 177.37 1kk0 s ARG 401 N 1.41 2.91 0.11 4.98 3.52 0.38 -4.91 118.95 127.35 1kk0 s ARG 401 Ca 0.17 -0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 54.63 1kk0 s ARG 401 Cb -0.15 -2.23 -0.09 0.00 -1.56 0.00 0.00 34.95 30.92 1kk0 s ARG 401 CO 0.08 0.14 1.60 -1.17 -0.81 0.00 0.00 175.30 175.14 1kk0 s LEU 402 N 0.43 4.37 0.00 -0.88 2.96 -1.26 -0.81 118.68 123.48 1kk0 s LEU 402 Ca -0.17 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.27 1kk0 s LEU 402 Cb -0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1kk0 s LEU 402 CO 0.07 -0.84 0.04 2.30 -1.32 0.00 0.00 176.35 176.59 1kk0 n ILE 403 N 4.35 0.00 -3.46 6.68 -5.35 -0.53 -4.92 119.36 116.13 1kk0 n ILE 403 Ca 0.15 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1kk0 n ILE 403 Cb 0.40 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1kk0 n ILE 403 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kk0 n GLY 404 N 0.83 -0.70 3.23 3.28 0.00 -1.12 -0.69 105.19 110.02 1kk0 n GLY 404 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1kk0 n GLY 404 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kk0 s TYR 405 N -3.00 0.16 0.15 1.61 -0.85 -0.75 -1.12 117.35 113.55 1kk0 s TYR 405 Ca 0.00 -0.57 0.05 0.00 -0.52 0.00 0.00 57.07 56.03 1kk0 s TYR 405 Cb 0.00 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 1kk0 s TYR 405 CO 0.00 -0.58 -0.12 0.20 -1.52 0.00 0.00 175.55 173.53 1kk0 s GLY 406 N -2.87 1.12 -0.17 5.49 0.00 0.84 -1.17 107.32 110.56 1kk0 s GLY 406 Ca 0.07 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 1kk0 s GLY 406 CO -0.09 -1.55 -0.14 -0.42 0.00 0.00 0.00 173.10 170.89 1kk0 s ILE 407 N -2.95 2.67 0.03 0.90 -1.09 -0.04 -0.48 121.20 120.24 1kk0 s ILE 407 Ca 0.15 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.51 1kk0 s ILE 407 Cb -0.00 -2.14 -0.08 0.00 -1.58 0.00 0.00 42.46 38.66 1kk0 s ILE 407 CO 0.02 0.51 1.81 -0.63 -1.23 0.00 0.00 174.94 175.42 1kk0 s ILE 408 N 0.97 3.12 0.01 2.92 1.01 -0.38 -1.61 121.20 127.25 1kk0 s ILE 408 Ca -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 1kk0 s ILE 408 Cb -0.15 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1kk0 s ILE 408 CO -0.02 -0.02 0.17 -0.54 0.00 0.00 0.00 174.94 174.53 1kk0 s LYS 409 N 3.86 3.35 0.00 2.79 1.02 0.34 -0.31 119.74 130.79 1kk0 s LYS 409 Ca 0.81 -0.39 0.29 0.00 0.02 0.00 0.00 55.97 56.69 1kk0 s LYS 409 Cb -0.40 -3.03 1.20 0.00 -0.52 0.00 0.00 37.83 35.08 1kk0 s LYS 409 CO 0.36 0.65 1.83 -1.91 -0.92 0.00 0.00 175.35 175.36