#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd6 s SER 2 N 0.00 6.24 -0.08 1.45 1.04 -1.26 -4.80 113.70 116.29 3kd6 s SER 2 Ca 0.00 2.79 0.02 0.00 0.48 0.00 0.00 55.95 59.24 3kd6 s SER 2 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 66.02 63.49 3kd6 s SER 2 CO 0.00 -0.91 -0.12 -0.22 0.98 0.00 0.00 173.24 172.97 3kd6 s LEU 3 N -2.39 1.59 -0.13 2.42 2.96 -1.26 -0.85 118.68 121.02 3kd6 s LEU 3 Ca 0.56 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3kd6 s LEU 3 Cb -0.41 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 3kd6 s LEU 3 CO 0.54 0.01 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.25 3kd6 s LEU 4 N 0.86 2.90 -0.10 -0.68 1.98 0.48 -1.07 118.68 123.06 3kd6 s LEU 4 Ca -0.11 -0.24 0.02 0.00 -2.89 0.00 0.00 54.13 50.92 3kd6 s LEU 4 Cb -0.15 -1.66 -0.01 0.00 0.66 0.00 0.00 46.19 45.02 3kd6 s LEU 4 CO 0.01 0.19 -0.18 -0.69 -1.89 0.00 0.00 176.35 173.80 3kd6 s VAL 5 N 0.20 2.65 0.12 1.68 1.01 0.25 -1.31 120.40 125.01 3kd6 s VAL 5 Ca -0.06 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3kd6 s VAL 5 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3kd6 s VAL 5 CO 0.04 0.55 -0.22 -0.63 0.00 0.00 0.00 175.10 174.85 3kd6 s ILE 6 N 0.10 1.86 -5.00 2.22 1.09 -0.73 -2.07 121.20 118.66 3kd6 s ILE 6 Ca -0.08 -1.66 0.00 0.00 -1.10 0.00 0.00 60.65 57.81 3kd6 s ILE 6 Cb -0.15 -1.71 0.00 0.00 -1.06 0.00 0.00 42.46 39.54 3kd6 s ILE 6 CO 0.05 -0.07 0.00 0.61 -0.10 0.00 0.00 174.94 175.43 3kd6 n GLY 7 N 0.90 -0.90 3.86 6.18 0.00 -1.26 -0.66 105.19 113.31 3kd6 n GLY 7 Ca -0.18 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3kd6 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kd6 s SER 8 N -3.70 6.71 -0.10 1.61 1.04 -1.18 -4.57 113.70 113.52 3kd6 s SER 8 Ca 0.00 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.69 3kd6 s SER 8 Cb 0.00 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.77 3kd6 s SER 8 CO 0.00 -0.26 -0.13 -0.76 0.98 0.00 0.00 173.24 173.07 3kd6 s LEU 9 N -3.22 1.59 0.00 2.42 1.43 -1.26 -1.37 118.68 118.26 3kd6 s LEU 9 Ca 0.53 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 3kd6 s LEU 9 Cb -0.10 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.18 3kd6 s LEU 9 CO 0.21 -0.01 0.29 0.00 0.23 0.00 0.00 176.35 177.07 3kd6 n ALA 10 N 4.26 -0.65 -3.38 4.21 0.00 -0.54 -3.98 120.51 120.43 3kd6 n ALA 10 Ca -0.19 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.51 3kd6 n ALA 10 Cb 0.51 0.35 -0.17 0.00 0.00 0.00 0.00 19.45 20.15 3kd6 n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kd6 s PHE 11 N -6.47 2.19 0.02 0.00 0.08 -0.73 0.35 117.98 113.42 3kd6 s PHE 11 Ca 0.06 -0.92 0.07 0.00 0.12 0.00 0.00 56.93 56.26 3kd6 s PHE 11 Cb -0.02 -1.51 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 3kd6 s PHE 11 CO 0.04 -0.40 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.06 3kd6 s ASP 12 N 0.55 3.71 -0.42 1.36 1.01 0.15 -2.06 116.67 120.97 3kd6 s ASP 12 Ca -0.15 -0.40 -0.09 0.00 0.71 0.00 0.00 52.55 52.62 3kd6 s ASP 12 Cb -0.17 -0.60 0.08 0.00 1.01 0.00 0.00 42.92 43.24 3kd6 s ASP 12 CO 0.05 0.28 0.26 -1.81 0.21 0.00 0.00 175.17 174.17 3kd6 s ASP 13 N -1.18 5.66 -0.15 0.27 1.01 -0.03 -0.97 116.67 121.28 3kd6 s ASP 13 Ca 0.13 -1.49 -0.06 0.00 0.71 0.00 0.00 52.55 51.84 3kd6 s ASP 13 Cb -0.10 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 3kd6 s ASP 13 CO 0.03 -0.54 0.07 -0.63 0.21 0.00 0.00 175.17 174.32 3kd6 s ILE 14 N 1.43 4.89 -0.03 0.77 1.01 0.72 -1.81 121.20 128.18 3kd6 s ILE 14 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3kd6 s ILE 14 Cb -0.23 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.09 3kd6 s ILE 14 CO 0.02 0.52 -0.06 -0.70 0.00 0.00 0.00 174.94 174.72 3kd6 s GLU 15 N -0.19 0.82 0.33 2.79 2.12 -0.66 -0.93 118.70 122.98 3kd6 s GLU 15 Ca 0.08 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.25 3kd6 s GLU 15 Cb -0.12 -0.79 -0.05 0.00 0.26 0.00 0.00 34.13 33.42 3kd6 s GLU 15 CO 0.01 0.02 0.08 0.95 -0.54 0.00 0.00 175.26 175.78 3kd6 s THR 16 N 0.47 1.00 -0.24 -1.70 -4.23 -0.13 -0.37 115.64 110.44 3kd6 s THR 16 Ca -0.07 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.69 3kd6 s THR 16 Cb -0.10 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.31 3kd6 s THR 16 CO 0.00 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.19 3kd6 h PRO 17 N 2.08 0.00 0.00 3.99 0.11 -1.85 -3.09 132.00 133.24 3kd6 h PRO 17 Ca -0.39 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 3kd6 h PRO 17 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3kd6 h PRO 17 CO 0.66 0.00 -1.93 1.19 -0.21 0.00 0.00 178.00 177.71 3kd6 n PHE 18 N -2.37 0.00 -3.68 0.65 3.72 -1.26 -5.09 117.46 109.43 3kd6 n PHE 18 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3kd6 n PHE 18 Cb 0.14 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 3kd6 n PHE 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kd6 n GLY 19 N 1.71 0.90 3.39 1.37 0.00 -1.17 -5.19 105.19 106.20 3kd6 n GLY 19 Ca -0.13 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 3kd6 n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kd6 s ARG 20 N -2.01 1.25 -0.24 1.61 1.70 -1.26 -0.95 118.95 119.05 3kd6 s ARG 20 Ca 0.06 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 54.09 3kd6 s ARG 20 Cb -0.00 0.40 0.13 0.00 -0.57 0.00 0.00 34.95 34.91 3kd6 s ARG 20 CO 0.01 -0.48 0.43 0.45 -1.08 0.00 0.00 175.30 174.63 3kd6 s SER 21 N -2.98 -0.18 0.20 -2.89 0.15 -0.11 -5.00 113.70 102.89 3kd6 s SER 21 Ca 0.19 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.45 3kd6 s SER 21 Cb 0.02 1.38 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 3kd6 s SER 21 CO 0.02 -0.27 0.21 -1.81 1.20 0.00 0.00 173.24 172.59 3kd6 s ASP 22 N 2.62 5.79 -1.50 5.45 1.01 -1.26 -0.20 116.67 128.58 3kd6 s ASP 22 Ca 0.10 -0.08 -0.12 0.00 0.71 0.00 0.00 52.55 53.16 3kd6 s ASP 22 Cb -0.14 -1.58 0.08 0.00 1.01 0.00 0.00 42.92 42.28 3kd6 s ASP 22 CO -0.16 0.02 0.89 0.59 0.21 0.00 0.00 175.17 176.72 3kd6 n ASN 23 N -0.77 -4.87 -4.73 0.27 5.03 -1.04 -4.92 115.26 104.22 3kd6 n ASN 23 Ca -0.08 -0.67 -0.40 0.00 0.87 0.00 0.00 54.58 54.30 3kd6 n ASN 23 Cb 0.56 -3.90 -0.05 0.00 -1.02 0.00 0.00 39.78 35.37 3kd6 n ASN 23 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kd6 s THR 24 N -3.23 4.78 0.28 3.41 2.01 -0.14 -4.75 115.64 117.99 3kd6 s THR 24 Ca 0.60 1.70 -0.30 0.00 0.31 0.00 0.00 61.69 64.00 3kd6 s THR 24 Cb -0.30 -4.15 -0.12 0.00 0.01 0.00 0.00 72.50 67.94 3kd6 s THR 24 CO 0.74 0.31 1.60 -0.11 -0.69 0.00 0.00 174.62 176.47 3kd6 n LEU 25 N 3.13 4.22 0.00 4.42 7.94 -1.26 0.30 117.00 135.75 3kd6 n LEU 25 Ca -0.01 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3kd6 n LEU 25 Cb 0.50 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.88 3kd6 n LEU 25 CO 0.48 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.48 3kd6 n GLY 26 N 2.43 3.44 0.00 -3.96 0.00 0.16 -4.40 105.19 102.87 3kd6 n GLY 26 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3kd6 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd6 n GLY 27 N 0.00 2.31 0.33 -0.02 0.00 -1.26 -1.47 105.19 105.08 3kd6 n GLY 27 Ca 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.44 3kd6 n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kd6 h SER 28 N 0.00 0.66 0.63 1.61 4.64 -1.65 -2.31 113.55 117.14 3kd6 h SER 28 Ca 0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3kd6 h SER 28 Cb 0.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3kd6 h SER 28 CO 0.00 0.48 -0.65 0.77 -0.87 0.00 0.00 176.83 176.56 3kd6 h SER 29 N 0.78 0.02 -0.03 4.97 4.64 -1.46 -1.61 113.55 120.86 3kd6 h SER 29 Ca 0.22 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3kd6 h SER 29 Cb -0.07 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3kd6 h SER 29 CO -0.05 0.66 0.01 0.74 -0.87 0.00 0.00 176.83 177.32 3kd6 h THR 30 N 0.01 1.10 -0.40 2.95 2.02 -1.50 0.96 112.91 118.05 3kd6 h THR 30 Ca -0.01 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 3kd6 h THR 30 Cb 1.14 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3kd6 h THR 30 CO 0.08 0.08 0.02 1.88 0.37 0.00 0.00 175.52 177.96 3kd6 h TYR 31 N -0.08 0.75 -0.22 3.16 0.05 -1.46 -1.50 116.97 117.66 3kd6 h TYR 31 Ca 0.01 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 3kd6 h TYR 31 Cb 0.12 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 3kd6 h TYR 31 CO -0.03 0.76 0.13 0.82 -1.05 0.00 0.00 178.16 178.78 3kd6 h ILE 32 N 0.53 1.10 -0.36 -2.88 2.04 -1.18 -2.48 117.51 114.27 3kd6 h ILE 32 Ca 0.12 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3kd6 h ILE 32 Cb 0.44 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3kd6 h ILE 32 CO 0.02 0.10 0.01 0.00 0.00 0.00 0.00 178.15 178.27 3kd6 h ALA 33 N 1.02 0.49 -0.94 1.87 0.00 -0.75 -0.57 119.26 120.37 3kd6 h ALA 33 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kd6 h ALA 33 Cb 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3kd6 h ALA 33 CO -0.01 0.24 0.58 -0.07 0.00 0.00 0.00 179.25 179.99 3kd6 h LEU 34 N 0.45 1.12 -0.07 0.00 3.38 -1.24 -0.25 115.31 118.70 3kd6 h LEU 34 Ca 0.10 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3kd6 h LEU 34 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kd6 h LEU 34 CO 0.02 0.85 -0.21 -1.28 0.09 0.00 0.00 178.44 177.90 3kd6 h SER 35 N 1.29 0.31 -0.04 -0.43 0.87 -1.36 -3.22 113.55 110.98 3kd6 h SER 35 Ca 0.34 -0.61 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 3kd6 h SER 35 Cb -0.08 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3kd6 h SER 35 CO -0.07 0.87 -0.01 0.00 -0.53 0.00 0.00 176.83 177.09 3kd6 h ALA 36 N 0.46 1.81 -0.04 6.23 0.00 -0.90 -2.46 119.26 124.35 3kd6 h ALA 36 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kd6 h ALA 36 Cb 0.83 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kd6 h ALA 36 CO 0.05 0.15 0.11 0.66 0.00 0.00 0.00 179.25 180.22 3kd6 h SER 37 N 0.14 0.00 0.48 0.00 4.64 -1.05 0.17 113.55 117.93 3kd6 h SER 37 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3kd6 h SER 37 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3kd6 h SER 37 CO 0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 3kd6 n TYR 38 N -3.30 0.00 -0.02 4.77 4.01 -0.93 -3.79 117.16 117.90 3kd6 n TYR 38 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 3kd6 n TYR 38 Cb 0.19 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 38.90 3kd6 n TYR 38 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3kd6 n PHE 39 N -1.29 0.00 -3.29 -0.72 3.72 0.57 -5.05 117.46 111.41 3kd6 n PHE 39 Ca 0.12 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.21 3kd6 n PHE 39 Cb 0.20 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 3kd6 n PHE 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kd6 s THR 40 N -2.20 4.89 -0.13 4.37 -4.23 -1.11 -4.58 115.64 112.64 3kd6 s THR 40 Ca -0.02 0.49 0.18 0.00 -1.18 0.00 0.00 61.69 61.15 3kd6 s THR 40 Cb 0.02 -3.65 -0.23 0.00 1.34 0.00 0.00 72.50 69.97 3kd6 s THR 40 CO 0.20 -0.19 0.41 0.47 -0.54 0.00 0.00 174.62 174.96 3kd6 n ASP 41 N -0.47 0.33 -4.89 3.99 8.00 -1.26 -4.93 116.55 117.32 3kd6 n ASP 41 Ca 0.01 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 3kd6 n ASP 41 Cb 0.53 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.43 3kd6 n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kd6 s GLU 42 N -2.80 3.15 0.23 -1.24 0.41 -1.26 -5.06 118.70 112.12 3kd6 s GLU 42 Ca -0.07 -0.92 -0.32 0.00 -0.41 0.00 0.00 54.97 53.25 3kd6 s GLU 42 Cb 0.08 -2.71 -0.13 0.00 -1.78 0.00 0.00 34.13 29.60 3kd6 s GLU 42 CO 0.84 0.42 1.57 -2.30 -0.49 0.00 0.00 175.26 175.29 3kd6 n PRO 43 N -1.25 2.40 -2.38 0.39 -0.02 -1.26 -4.95 135.00 127.93 3kd6 n PRO 43 Ca -0.08 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 3kd6 n PRO 43 Cb 0.57 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 3kd6 n PRO 43 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kd6 s ILE 44 N 0.46 3.40 0.52 4.25 1.01 -1.23 -4.70 121.20 124.91 3kd6 s ILE 44 Ca 0.71 1.31 0.06 0.00 0.00 0.00 0.00 60.65 62.72 3kd6 s ILE 44 Cb -0.58 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.15 3kd6 s ILE 44 CO 0.43 0.27 0.72 0.54 0.00 0.00 0.00 174.94 176.89 3kd6 n ARG 45 N 1.70 0.48 -3.41 2.79 1.74 -0.23 0.52 116.66 120.25 3kd6 n ARG 45 Ca 0.01 -2.52 0.03 0.00 -0.77 0.00 0.00 57.85 54.60 3kd6 n ARG 45 Cb 0.44 -0.30 -0.05 0.00 -1.02 0.00 0.00 32.46 31.53 3kd6 n ARG 45 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kd6 s VAL 47 N -2.17 -0.08 0.00 1.55 1.01 -0.88 0.87 120.40 120.70 3kd6 s VAL 47 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3kd6 s VAL 47 Cb -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3kd6 s VAL 47 CO 0.34 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3kd6 n GLY 48 N 4.01 1.10 3.37 4.51 0.00 -0.89 -4.22 105.19 113.06 3kd6 n GLY 48 Ca -0.11 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 3kd6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd6 s VAL 49 N -2.21 0.01 0.26 1.61 0.11 -1.26 -1.25 120.40 117.67 3kd6 s VAL 49 Ca 0.00 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3kd6 s VAL 49 Cb 0.00 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 3kd6 s VAL 49 CO 0.00 -0.05 0.11 0.68 -3.33 0.00 0.00 175.10 172.51 3kd6 s VAL 50 N -0.26 0.44 0.47 2.04 -7.23 0.39 -4.68 120.40 111.56 3kd6 s VAL 50 Ca -0.04 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3kd6 s VAL 50 Cb -0.03 -2.60 0.09 0.00 0.56 0.00 0.00 36.38 34.40 3kd6 s VAL 50 CO 0.03 0.00 0.64 0.61 -0.31 0.00 0.00 175.10 176.07 3kd6 n GLY 51 N -0.46 1.37 0.06 2.32 0.00 -1.26 -1.19 105.19 106.03 3kd6 n GLY 51 Ca 0.00 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.02 3kd6 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kd6 n SER 52 N -2.71 0.35 -0.00 1.61 3.41 -1.07 -2.45 113.62 112.75 3kd6 n SER 52 Ca 0.12 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.44 3kd6 n SER 52 Cb 0.43 -0.65 0.59 0.00 -0.26 0.00 0.00 64.21 64.32 3kd6 n SER 52 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kd6 n ASP 53 N -1.86 0.08 -4.56 4.04 5.75 -1.26 -4.65 116.55 114.09 3kd6 n ASP 53 Ca 0.04 0.32 -0.36 0.00 -0.01 0.00 0.00 54.79 54.78 3kd6 n ASP 53 Cb 0.25 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 3kd6 n ASP 53 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kd6 s PHE 54 N -2.95 2.09 0.89 2.11 5.36 -1.03 -4.96 117.98 119.49 3kd6 s PHE 54 Ca 0.15 0.08 -0.12 0.00 -0.96 0.00 0.00 56.93 56.08 3kd6 s PHE 54 Cb 0.19 -4.36 0.07 0.00 -0.34 0.00 0.00 43.02 38.58 3kd6 s PHE 54 CO 0.54 -1.97 0.80 0.41 -1.46 0.00 0.00 175.22 173.55 3kd6 n GLY 55 N 6.38 -1.07 0.25 13.12 0.00 -1.26 -4.90 105.19 117.71 3kd6 n GLY 55 Ca 0.28 -0.66 0.16 0.00 0.00 0.00 0.00 46.02 45.80 3kd6 n GLY 55 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kd6 h LYS 56 N -1.45 0.00 -0.32 1.61 2.10 -1.96 -2.45 116.57 114.10 3kd6 h LYS 56 Ca -0.44 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.17 3kd6 h LYS 56 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 3kd6 h LYS 56 CO 0.39 0.00 0.03 1.05 -2.00 0.00 0.00 179.45 178.93 3kd6 h GLU 57 N 0.00 0.48 -0.14 0.07 9.09 -1.99 0.25 114.58 122.35 3kd6 h GLU 57 Ca 0.00 -0.09 -0.19 0.00 0.05 0.00 0.00 59.36 59.14 3kd6 h GLU 57 Cb 0.51 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3kd6 h GLU 57 CO 0.00 0.48 -0.69 0.45 0.05 0.00 0.00 179.01 179.30 3kd6 h HIS 58 N 0.47 0.76 -0.36 2.06 3.86 -1.79 -2.08 115.15 118.06 3kd6 h HIS 58 Ca 0.11 -0.32 -0.13 0.00 -1.16 0.00 0.00 60.37 58.87 3kd6 h HIS 58 Cb 0.25 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3kd6 h HIS 58 CO 0.01 1.09 -0.29 0.74 0.86 0.00 0.00 177.93 180.34 3kd6 h PHE 59 N 0.41 0.89 -0.00 2.45 0.04 -1.33 -2.74 116.94 116.66 3kd6 h PHE 59 Ca -0.02 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.46 3kd6 h PHE 59 Cb 1.27 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 3kd6 h PHE 59 CO 0.06 0.96 -0.29 -0.44 -0.60 0.00 0.00 178.31 178.00 3kd6 h ASP 60 N 0.65 0.01 -0.27 2.17 3.32 -0.38 -1.18 116.42 120.75 3kd6 h ASP 60 Ca 0.08 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3kd6 h ASP 60 Cb 0.81 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3kd6 h ASP 60 CO 0.07 0.30 0.04 0.25 -1.72 0.00 0.00 179.24 178.18 3kd6 h LEU 61 N 0.01 0.42 -0.30 1.55 5.85 -1.08 -1.03 115.31 120.74 3kd6 h LEU 61 Ca -0.00 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3kd6 h LEU 61 Cb 0.52 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3kd6 h LEU 61 CO 0.04 0.58 0.00 -0.07 -0.34 0.00 0.00 178.44 178.65 3kd6 h LEU 62 N 0.26 0.51 -1.85 2.25 3.38 -1.32 -2.85 115.31 115.69 3kd6 h LEU 62 Ca 0.08 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kd6 h LEU 62 Cb 0.33 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kd6 h LEU 62 CO 0.01 0.69 -0.14 0.45 0.09 0.00 0.00 178.44 179.54 3kd6 h HIS 63 N 0.32 0.00 0.00 1.13 3.86 -1.16 -0.74 115.15 118.56 3kd6 h HIS 63 Ca 0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3kd6 h HIS 63 Cb 0.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3kd6 h HIS 63 CO 0.04 0.14 -0.07 0.00 0.86 0.00 0.00 177.93 178.89 3kd6 h ALA 64 N 1.86 1.04 -0.62 2.45 0.00 -0.94 -0.91 119.26 122.13 3kd6 h ALA 64 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kd6 h ALA 64 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kd6 h ALA 64 CO 0.02 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.99 3kd6 n LYS 65 N -3.22 3.81 -3.56 0.00 4.76 -0.35 -4.94 118.16 114.66 3kd6 n LYS 65 Ca -0.00 -2.90 -0.23 0.00 -2.87 0.00 0.00 58.31 52.31 3kd6 n LYS 65 Cb 0.31 -1.91 0.08 0.00 -1.84 0.00 0.00 35.03 31.67 3kd6 n LYS 65 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kd6 n ASN 66 N 1.01 -6.14 -4.76 4.39 5.15 -0.35 -4.88 115.26 109.69 3kd6 n ASN 66 Ca 0.26 -0.52 -0.37 0.00 -0.60 0.00 0.00 54.58 53.34 3kd6 n ASN 66 Cb 0.91 -4.89 -0.06 0.00 -0.53 0.00 0.00 39.78 35.21 3kd6 n ASN 66 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kd6 s ILE 67 N -3.31 5.23 -0.44 -1.44 1.01 -0.81 -3.53 121.20 117.90 3kd6 s ILE 67 Ca 0.55 0.70 -0.26 0.00 0.00 0.00 0.00 60.65 61.65 3kd6 s ILE 67 Cb -0.24 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.56 3kd6 s ILE 67 CO 0.71 0.42 0.93 -0.62 0.00 0.00 0.00 174.94 176.38 3kd6 s ASP 68 N 0.12 6.53 -0.13 3.58 -1.08 0.18 -4.35 116.67 121.52 3kd6 s ASP 68 Ca 0.20 0.21 0.17 0.00 -0.52 0.00 0.00 52.55 52.62 3kd6 s ASP 68 Cb -0.14 -2.45 0.71 0.00 -1.46 0.00 0.00 42.92 39.57 3kd6 s ASP 68 CO 0.08 -1.02 1.62 0.35 0.52 0.00 0.00 175.17 176.72 3kd6 n THR 69 N 6.34 2.00 0.30 1.71 -2.24 -1.26 -4.44 114.28 116.69 3kd6 n THR 69 Ca 0.06 -1.28 0.16 0.00 -2.27 0.00 0.00 64.05 60.72 3kd6 n THR 69 Cb 0.48 0.05 0.94 0.00 -2.10 0.00 0.00 70.33 69.70 3kd6 n THR 69 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3kd6 h ARG 70 N 3.82 0.00 -0.13 -0.78 3.08 -1.96 -1.09 114.38 117.32 3kd6 h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kd6 h ARG 70 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 3kd6 h ARG 70 CO 0.27 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.58 3kd6 n GLY 71 N -1.31 -0.21 3.60 0.04 0.00 -1.26 -4.80 105.19 101.26 3kd6 n GLY 71 Ca -0.03 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3kd6 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd6 s ILE 72 N -1.83 5.29 0.20 -0.61 1.01 -0.42 -2.10 121.20 122.74 3kd6 s ILE 72 Ca 0.24 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 3kd6 s ILE 72 Cb 0.12 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.95 3kd6 s ILE 72 CO 0.18 0.24 0.66 -1.10 0.00 0.00 0.00 174.94 174.93 3kd6 s GLN 73 N 1.72 4.14 -0.22 2.79 -0.21 -0.38 -4.94 119.66 122.55 3kd6 s GLN 73 Ca 0.09 0.72 0.00 0.00 0.02 0.00 0.00 55.36 56.19 3kd6 s GLN 73 Cb -0.16 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.02 3kd6 s GLN 73 CO 0.10 0.40 -0.13 0.08 -2.12 0.00 0.00 175.29 173.63 3kd6 s VAL 74 N -1.54 2.45 -0.38 1.09 1.01 -1.26 -0.46 120.40 121.31 3kd6 s VAL 74 Ca 0.42 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 3kd6 s VAL 74 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.05 3kd6 s VAL 74 CO 0.20 0.32 0.64 -0.63 0.00 0.00 0.00 175.10 175.62 3kd6 s ILE 75 N 1.28 4.87 0.25 2.22 -1.09 -0.33 -4.97 121.20 123.44 3kd6 s ILE 75 Ca 0.01 0.45 -0.31 0.00 -2.23 0.00 0.00 60.65 58.57 3kd6 s ILE 75 Cb -0.16 -4.11 -0.12 0.00 -1.58 0.00 0.00 42.46 36.50 3kd6 s ILE 75 CO -0.08 -0.39 1.67 -1.84 -1.23 0.00 0.00 174.94 173.06 3kd6 n GLU 76 N 6.11 2.76 -0.69 2.79 0.28 -1.26 -1.25 120.64 129.37 3kd6 n GLU 76 Ca -0.01 0.99 0.00 0.00 -0.16 0.00 0.00 57.16 57.97 3kd6 n GLU 76 Cb 0.48 -2.81 0.00 0.00 1.43 0.00 0.00 31.44 30.55 3kd6 n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3kd6 n ASP 77 N 3.07 -0.80 -4.91 -1.84 8.00 -1.26 -4.93 116.55 113.88 3kd6 n ASP 77 Ca 0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.35 3kd6 n ASP 77 Cb 0.36 -1.98 0.05 0.00 -0.02 0.00 0.00 41.12 39.54 3kd6 n ASP 77 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kd6 s GLY 78 N -2.00 1.63 -0.02 0.44 0.00 -0.38 -4.91 107.32 102.08 3kd6 s GLY 78 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 44.72 44.10 3kd6 s GLY 78 CO 0.00 -0.30 -0.16 0.54 0.00 0.00 0.00 173.10 173.18 3kd6 s LYS 79 N -5.24 2.36 0.38 2.90 1.02 -1.26 -2.60 119.74 117.31 3kd6 s LYS 79 Ca 0.58 -0.79 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 3kd6 s LYS 79 Cb -0.11 -2.31 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 3kd6 s LYS 79 CO 0.47 0.60 1.25 0.99 -0.92 0.00 0.00 175.35 177.74 3kd6 s THR 80 N -0.79 2.83 0.21 2.17 2.01 -1.26 -2.50 115.64 118.31 3kd6 s THR 80 Ca 0.13 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 3kd6 s THR 80 Cb -0.11 -3.45 -0.15 0.00 0.01 0.00 0.00 72.50 68.80 3kd6 s THR 80 CO 0.02 0.12 0.99 0.33 -0.69 0.00 0.00 174.62 175.39 3kd6 n PHE 81 N 0.29 0.95 -4.42 4.92 -0.00 -1.26 -4.80 117.46 113.14 3kd6 n PHE 81 Ca 0.03 0.75 -0.22 0.00 -0.00 0.00 0.00 57.45 58.01 3kd6 n PHE 81 Cb 0.44 -2.20 -0.13 0.00 -0.00 0.00 0.00 39.48 37.58 3kd6 n PHE 81 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3kd6 s ARG 82 N -0.92 1.11 -0.08 -4.13 1.81 -0.82 -1.77 118.95 114.15 3kd6 s ARG 82 Ca 0.67 -0.90 -0.11 0.00 -1.72 0.00 0.00 55.73 53.66 3kd6 s ARG 82 Cb -0.82 -1.19 0.03 0.00 -0.45 0.00 0.00 34.95 32.51 3kd6 s ARG 82 CO 0.56 0.29 0.29 -0.46 -0.68 0.00 0.00 175.30 175.30 3kd6 s TRP 83 N -0.92 -0.27 -0.08 -0.53 -0.00 -0.87 -1.42 118.94 114.85 3kd6 s TRP 83 Ca 0.04 0.61 0.02 0.00 -0.00 0.00 0.00 56.10 56.78 3kd6 s TRP 83 Cb -0.09 0.10 0.01 0.00 -0.00 0.00 0.00 33.47 33.49 3kd6 s TRP 83 CO 0.02 -0.22 -0.14 0.00 -0.00 0.00 0.00 176.95 176.61 3kd6 s ALA 84 N -0.29 1.44 0.05 5.86 0.00 -0.57 -0.85 121.76 127.40 3kd6 s ALA 84 Ca -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.41 3kd6 s ALA 84 Cb -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3kd6 s ALA 84 CO 0.01 0.10 -0.08 0.20 0.00 0.00 0.00 175.76 175.99 3kd6 s GLY 85 N 0.69 0.54 -0.09 0.00 0.00 -0.75 -0.17 107.32 107.55 3kd6 s GLY 85 Ca -0.14 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3kd6 s GLY 85 CO 0.03 -0.87 -0.09 -1.60 0.00 0.00 0.00 173.10 170.58 3kd6 s ARG 86 N -1.75 1.48 0.42 2.90 3.52 0.15 -1.65 118.95 124.02 3kd6 s ARG 86 Ca -0.08 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.32 3kd6 s ARG 86 Cb -0.09 -1.41 0.01 0.00 -1.56 0.00 0.00 34.95 31.89 3kd6 s ARG 86 CO 0.00 -0.14 0.55 0.71 -0.81 0.00 0.00 175.30 175.61 3kd6 s TYR 87 N 1.25 2.76 0.00 5.12 2.02 0.50 -0.64 117.35 128.36 3kd6 s TYR 87 Ca -0.04 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3kd6 s TYR 87 Cb -0.14 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 3kd6 s TYR 87 CO -0.03 -0.40 0.00 0.72 -1.57 0.00 0.00 175.55 174.28 3kd6 n HIS 88 N -1.82 0.00 0.29 2.71 8.25 -1.26 -4.17 115.22 119.22 3kd6 n HIS 88 Ca 0.08 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.69 3kd6 n HIS 88 Cb 0.59 0.00 0.74 0.00 1.12 0.00 0.00 29.99 32.44 3kd6 n HIS 88 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3kd6 h TYR 89 N 0.52 0.00 0.00 4.41 0.05 -2.00 -3.43 116.97 116.52 3kd6 h TYR 89 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kd6 h TYR 89 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3kd6 h TYR 89 CO 0.00 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 176.71 3kd6 n ASP 90 N -2.61 0.00 0.00 3.88 5.75 -1.26 -5.14 116.55 117.17 3kd6 n ASP 90 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 3kd6 n ASP 90 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3kd6 n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kd6 n ASN 92 N -0.15 0.00 -4.79 -1.12 5.15 -1.26 -5.13 115.26 107.96 3kd6 n ASN 92 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 3kd6 n ASN 92 Cb 0.00 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.34 3kd6 n ASN 92 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kd6 s THR 93 N 0.00 3.15 0.17 -0.44 -4.23 -1.26 -4.99 115.64 108.04 3kd6 s THR 93 Ca 0.00 0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 60.66 3kd6 s THR 93 Cb 0.00 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 70.86 3kd6 s THR 93 CO 0.00 -0.49 0.60 0.00 -0.54 0.00 0.00 174.62 174.19 3kd6 s ARG 94 N -5.08 1.31 -0.09 3.99 1.70 -1.26 -4.04 118.95 115.49 3kd6 s ARG 94 Ca 0.61 -0.53 -0.01 0.00 -0.47 0.00 0.00 55.73 55.33 3kd6 s ARG 94 Cb -0.15 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3kd6 s ARG 94 CO 0.55 -0.57 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.65 3kd6 s ASP 95 N -2.77 4.88 -0.37 -2.89 1.01 0.19 -4.91 116.67 111.82 3kd6 s ASP 95 Ca 0.02 0.02 -0.21 0.00 0.71 0.00 0.00 52.55 53.09 3kd6 s ASP 95 Cb -0.01 -1.38 0.01 0.00 1.01 0.00 0.00 42.92 42.54 3kd6 s ASP 95 CO -0.11 0.34 0.66 -0.89 0.21 0.00 0.00 175.17 175.37 3kd6 s THR 96 N -0.64 4.86 0.02 -1.27 2.01 -1.26 -0.67 115.64 118.68 3kd6 s THR 96 Ca 0.10 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.73 3kd6 s THR 96 Cb -0.12 -4.11 -0.24 0.00 0.01 0.00 0.00 72.50 68.04 3kd6 s THR 96 CO 0.02 -0.37 0.90 -0.07 -0.69 0.00 0.00 174.62 174.41 3kd6 h LEU 97 N 9.48 0.16 -7.11 4.42 4.07 -0.91 -3.48 115.31 121.93 3kd6 h LEU 97 Ca -0.26 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.39 3kd6 h LEU 97 Cb 1.11 -0.05 -0.20 0.00 1.08 0.00 0.00 40.66 42.59 3kd6 h LEU 97 CO 0.85 1.20 0.06 -0.62 -1.08 0.00 0.00 178.44 178.86 3kd6 s ASP 98 N -6.63 -0.58 -0.16 -0.43 2.15 -1.16 -4.95 116.67 104.90 3kd6 s ASP 98 Ca -0.05 0.79 -0.04 0.00 0.43 0.00 0.00 52.55 53.68 3kd6 s ASP 98 Cb 0.08 0.74 0.08 0.00 -0.30 0.00 0.00 42.92 43.51 3kd6 s ASP 98 CO 0.83 -0.46 0.21 -0.89 -0.17 0.00 0.00 175.17 174.69 3kd6 s THR 99 N -0.74 -0.31 -0.35 1.71 2.01 -1.26 -1.51 115.64 115.20 3kd6 s THR 99 Ca -0.08 0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.99 3kd6 s THR 99 Cb -0.02 -0.56 0.10 0.00 0.01 0.00 0.00 72.50 72.03 3kd6 s THR 99 CO 0.06 -0.09 0.06 -1.10 -0.69 0.00 0.00 174.62 172.87 3kd6 s GLN 100 N 2.32 1.63 0.33 4.92 -1.52 -0.50 -4.98 119.66 121.87 3kd6 s GLN 100 Ca 0.05 -1.82 0.05 0.00 -1.95 0.00 0.00 55.36 51.68 3kd6 s GLN 100 Cb -0.14 -3.25 0.68 0.00 -0.22 0.00 0.00 33.01 30.07 3kd6 s GLN 100 CO -0.10 -0.93 1.90 -0.07 -0.25 0.00 0.00 175.29 175.84 3kd6 h LEU 101 N 7.70 0.77 0.00 2.90 4.07 -1.96 -2.17 115.31 126.62 3kd6 h LEU 101 Ca -0.07 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3kd6 h LEU 101 Cb 1.03 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3kd6 h LEU 101 CO 0.55 0.45 0.00 0.59 -1.08 0.00 0.00 178.44 178.95 3kd6 n ASN 102 N -4.53 0.00 0.08 -0.43 5.03 -1.26 -1.32 115.26 112.83 3kd6 n ASN 102 Ca 0.15 0.00 0.21 0.00 0.87 0.00 0.00 54.58 55.80 3kd6 n ASN 102 Cb 0.32 0.00 0.69 0.00 -1.02 0.00 0.00 39.78 39.76 3kd6 n ASN 102 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 3kd6 h VAL 103 N 0.00 0.25 0.00 2.41 -1.51 -1.82 0.19 116.25 115.78 3kd6 h VAL 103 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3kd6 h VAL 103 Cb 0.00 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 29.69 3kd6 h VAL 103 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3kd6 n PHE 104 N -3.50 0.25 -0.01 5.19 3.72 -0.43 -2.94 117.46 119.74 3kd6 n PHE 104 Ca 0.09 0.07 -0.12 0.00 -0.05 0.00 0.00 57.45 57.44 3kd6 n PHE 104 Cb 0.75 -0.62 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 3kd6 n PHE 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kd6 h ALA 105 N 2.86 0.58 -0.37 4.37 0.00 -0.72 -3.15 119.26 122.82 3kd6 h ALA 105 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3kd6 h ALA 105 Cb 0.56 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3kd6 h ALA 105 CO 0.00 0.70 0.03 -1.91 0.00 0.00 0.00 179.25 178.07 3kd6 n GLU 106 N -3.95 2.58 -2.29 0.00 2.13 -1.23 -5.04 120.64 112.85 3kd6 n GLU 106 Ca -0.04 -3.00 -0.41 0.00 0.66 0.00 0.00 57.16 54.37 3kd6 n GLU 106 Cb 0.64 -1.89 -0.03 0.00 0.27 0.00 0.00 31.44 30.44 3kd6 n GLU 106 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3kd6 s PHE 107 N -3.02 3.33 -0.88 4.31 5.36 -1.15 -4.98 117.98 120.95 3kd6 s PHE 107 Ca 0.45 1.27 -0.03 0.00 -0.96 0.00 0.00 56.93 57.65 3kd6 s PHE 107 Cb 0.38 -3.54 0.22 0.00 -0.34 0.00 0.00 43.02 39.74 3kd6 s PHE 107 CO 0.06 -1.65 0.78 0.34 -1.46 0.00 0.00 175.22 173.29 3kd6 s ASP 108 N 0.44 6.11 -0.06 6.13 3.68 -1.26 -5.01 116.67 126.69 3kd6 s ASP 108 Ca 0.56 -3.54 -0.27 0.00 2.13 0.00 0.00 52.55 51.43 3kd6 s ASP 108 Cb -0.34 -1.96 -0.33 0.00 -1.45 0.00 0.00 42.92 38.84 3kd6 s ASP 108 CO 0.36 -0.24 1.50 -0.81 0.13 0.00 0.00 175.17 176.10 3kd6 n PRO 109 N 2.62 0.00 -2.80 4.34 -0.04 -1.26 -4.89 135.00 132.96 3kd6 n PRO 109 Ca 0.20 -0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 62.31 3kd6 n PRO 109 Cb 0.38 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 3kd6 n PRO 109 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kd6 s HIS 110 N 7.09 3.46 -0.28 0.54 2.46 -1.26 -4.65 115.29 122.65 3kd6 s HIS 110 Ca 0.62 1.40 -0.16 0.00 0.47 0.00 0.00 55.06 57.38 3kd6 s HIS 110 Cb 0.12 -3.09 -0.03 0.00 -0.13 0.00 0.00 32.58 29.45 3kd6 s HIS 110 CO 0.30 -0.23 0.44 0.08 -2.47 0.00 0.00 174.74 172.86 3kd6 s VAL 111 N 2.10 5.12 0.53 0.89 1.01 -1.26 -4.95 120.40 123.83 3kd6 s VAL 111 Ca 0.43 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 3kd6 s VAL 111 Cb -0.17 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3kd6 s VAL 111 CO 0.14 0.07 1.34 -2.16 0.00 0.00 0.00 175.10 174.50 3kd6 s PRO 112 N 2.20 3.26 0.34 2.72 0.04 -1.26 -4.81 135.00 137.48 3kd6 s PRO 112 Ca 0.18 2.20 0.14 0.00 0.04 0.00 0.00 61.00 63.55 3kd6 s PRO 112 Cb -0.16 -2.31 1.08 0.00 0.04 0.00 0.00 34.50 33.16 3kd6 s PRO 112 CO 0.10 -1.08 1.63 0.37 0.04 0.00 0.00 177.00 178.06 3kd6 h GLN 113 N 1.60 0.18 0.00 4.56 5.75 -1.99 0.34 115.11 125.55 3kd6 h GLN 113 Ca -0.51 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3kd6 h GLN 113 Cb 1.29 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.80 3kd6 h GLN 113 CO 0.58 0.12 0.00 2.48 -2.65 0.00 0.00 178.83 179.36 3kd6 n TYR 114 N -5.17 0.00 0.08 3.99 0.18 -1.26 -2.25 117.16 112.73 3kd6 n TYR 114 Ca 0.31 0.00 0.01 0.00 1.88 0.00 0.00 57.90 60.11 3kd6 n TYR 114 Cb 1.01 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.95 3kd6 n TYR 114 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3kd6 n TYR 115 N -0.62 0.00 0.28 -3.48 4.02 0.12 -4.71 117.16 112.77 3kd6 n TYR 115 Ca 0.04 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.08 3kd6 n TYR 115 Cb 0.02 -0.02 0.74 0.00 -0.02 0.00 0.00 39.34 40.05 3kd6 n TYR 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kd6 h ARG 116 N 0.00 0.00 -0.62 -0.72 3.08 -1.37 -2.34 114.38 112.42 3kd6 h ARG 116 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kd6 h ARG 116 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kd6 h ARG 116 CO 0.00 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.50 3kd6 n ASP 117 N -2.60 3.71 -4.71 7.04 5.75 -1.26 -2.02 116.55 122.46 3kd6 n ASP 117 Ca -0.01 -2.29 -0.43 0.00 -0.01 0.00 0.00 54.79 52.05 3kd6 n ASP 117 Cb 0.14 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 3kd6 n ASP 117 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3kd6 n SER 118 N 0.90 3.68 0.07 -1.12 7.64 -0.88 -4.92 113.62 118.99 3kd6 n SER 118 Ca 0.20 1.09 -0.23 0.00 1.01 0.00 0.00 58.87 60.94 3kd6 n SER 118 Cb 0.69 -1.54 -0.15 0.00 -1.01 0.00 0.00 64.21 62.20 3kd6 n SER 118 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3kd6 h LYS 119 N 6.00 0.38 -5.07 1.43 1.79 -1.82 -3.38 116.57 115.90 3kd6 h LYS 119 Ca -0.44 -0.65 -0.65 0.00 -2.18 0.00 0.00 60.65 56.72 3kd6 h LYS 119 Cb 1.22 0.24 -0.26 0.00 -1.58 0.00 0.00 32.23 31.86 3kd6 h LYS 119 CO 0.89 1.31 -0.71 -0.06 -1.08 0.00 0.00 179.45 179.81 3kd6 s PHE 120 N -2.56 2.97 -0.15 -1.35 0.08 -0.03 0.09 117.98 117.04 3kd6 s PHE 120 Ca -0.16 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.17 3kd6 s PHE 120 Cb 0.05 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 3kd6 s PHE 120 CO 0.85 -0.41 -0.19 0.08 -0.10 0.00 0.00 175.22 175.45 3kd6 s VAL 121 N 1.20 2.33 -0.36 -0.44 1.01 -0.66 -0.39 120.40 123.08 3kd6 s VAL 121 Ca 0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3kd6 s VAL 121 Cb -0.14 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.35 3kd6 s VAL 121 CO -0.01 0.53 0.12 0.00 0.00 0.00 0.00 175.10 175.75 3kd6 s LEU 123 N 1.27 4.54 0.92 0.00 1.43 0.14 -1.78 118.68 125.20 3kd6 s LEU 123 Ca 0.01 -2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 50.48 3kd6 s LEU 123 Cb -0.21 -2.47 0.14 0.00 0.03 0.00 0.00 46.19 43.68 3kd6 s LEU 123 CO -0.01 -1.00 1.09 -0.83 0.23 0.00 0.00 176.35 175.84 3kd6 s GLY 124 N 3.59 1.63 -0.33 -3.19 0.00 0.17 -2.39 107.32 106.79 3kd6 s GLY 124 Ca 0.45 0.12 -0.40 0.00 0.00 0.00 0.00 44.72 44.88 3kd6 s GLY 124 CO -0.00 0.60 1.81 -2.01 0.00 0.00 0.00 173.10 173.50 3kd6 n ASN 125 N -4.05 2.15 -3.60 1.64 5.15 -1.18 -4.38 115.26 111.00 3kd6 n ASN 125 Ca 0.08 0.98 0.01 0.00 -0.60 0.00 0.00 54.58 55.05 3kd6 n ASN 125 Cb 0.54 -1.11 -0.01 0.00 -0.53 0.00 0.00 39.78 38.67 3kd6 n ASN 125 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 3kd6 s ILE 126 N 4.12 0.00 -0.18 -1.44 1.10 -1.26 -3.07 121.20 120.46 3kd6 s ILE 126 Ca 1.02 -0.06 -0.41 0.00 -0.51 0.00 0.00 60.65 60.68 3kd6 s ILE 126 Cb -1.11 -1.62 -0.18 0.00 0.15 0.00 0.00 42.46 39.69 3kd6 s ILE 126 CO 0.66 0.00 1.44 -0.67 -2.11 0.00 0.00 174.94 174.26 3kd6 n ASP 127 N -0.32 1.29 0.15 4.50 -0.08 -1.26 -4.75 116.55 116.08 3kd6 n ASP 127 Ca -0.04 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.55 3kd6 n ASP 127 Cb 0.61 -1.03 0.78 0.00 2.34 0.00 0.00 41.12 43.82 3kd6 n ASP 127 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kd6 h PRO 128 N 4.94 0.00 -0.03 -0.67 0.13 -1.92 0.13 132.00 134.59 3kd6 h PRO 128 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 3kd6 h PRO 128 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 3kd6 h PRO 128 CO 0.84 0.00 -0.51 0.93 -0.23 0.00 0.00 178.00 179.03 3kd6 h GLU 129 N 0.00 0.07 0.08 0.86 5.08 -1.87 -1.15 114.58 117.66 3kd6 h GLU 129 Ca 0.13 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 3kd6 h GLU 129 Cb 0.70 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.98 3kd6 h GLU 129 CO -0.00 0.57 -0.96 -0.07 -1.00 0.00 0.00 179.01 177.54 3kd6 h LEU 130 N 0.06 0.70 -0.82 1.33 3.38 -1.35 -1.93 115.31 116.67 3kd6 h LEU 130 Ca -0.00 -0.83 0.10 0.00 0.09 0.00 0.00 57.88 57.24 3kd6 h LEU 130 Cb 0.92 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 3kd6 h LEU 130 CO 0.07 1.45 0.46 1.56 0.09 0.00 0.00 178.44 182.08 3kd6 h GLN 131 N 0.04 0.74 -0.27 1.13 4.20 -1.17 -0.48 115.11 119.29 3kd6 h GLN 131 Ca -0.14 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 3kd6 h GLN 131 Cb 1.68 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 3kd6 h GLN 131 CO 0.18 0.49 -0.21 1.25 -0.67 0.00 0.00 178.83 179.88 3kd6 h LEU 132 N 0.77 0.65 -1.47 1.46 5.85 -1.21 -2.13 115.31 119.23 3kd6 h LEU 132 Ca 0.40 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kd6 h LEU 132 Cb 0.39 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kd6 h LEU 132 CO -0.26 0.96 0.38 0.11 -0.34 0.00 0.00 178.44 179.29 3kd6 h LYS 133 N 0.35 0.68 0.13 1.25 1.57 -0.48 -1.33 116.57 118.74 3kd6 h LYS 133 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3kd6 h LYS 133 Cb 0.75 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3kd6 h LYS 133 CO 0.05 0.45 -0.06 0.28 -0.57 0.00 0.00 179.45 179.60 3kd6 h VAL 134 N 0.70 1.02 -0.88 0.50 2.07 -1.04 -3.23 116.25 115.39 3kd6 h VAL 134 Ca 0.23 -1.08 0.19 0.00 0.82 0.00 0.00 66.70 66.85 3kd6 h VAL 134 Cb 0.05 1.64 -0.11 0.00 -1.52 0.00 0.00 31.29 31.35 3kd6 h VAL 134 CO -0.06 0.24 0.42 0.25 0.02 0.00 0.00 177.57 178.44 3kd6 h LEU 135 N -0.73 0.42 -2.36 2.57 5.85 -1.03 0.25 115.31 120.27 3kd6 h LEU 135 Ca -0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kd6 h LEU 135 Cb 0.53 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3kd6 h LEU 135 CO 0.03 0.09 0.00 0.44 -0.34 0.00 0.00 178.44 178.66 3kd6 h ASP 136 N 0.49 0.00 0.26 1.25 3.32 -1.27 -2.07 116.42 118.39 3kd6 h ASP 136 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3kd6 h ASP 136 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3kd6 h ASP 136 CO -0.46 0.00 -0.63 0.00 -1.72 0.00 0.00 179.24 176.43 3kd6 n GLN 137 N -2.80 0.21 -3.19 3.56 6.02 0.87 -4.86 117.38 117.20 3kd6 n GLN 137 Ca -0.02 -0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 3kd6 n GLN 137 Cb 0.08 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 3kd6 n GLN 137 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kd6 s ILE 138 N -2.89 5.09 -0.02 5.09 1.09 -0.78 -4.72 121.20 124.06 3kd6 s ILE 138 Ca 0.12 1.10 -0.24 0.00 -1.10 0.00 0.00 60.65 60.54 3kd6 s ILE 138 Cb 0.17 -3.90 -0.20 0.00 -1.06 0.00 0.00 42.46 37.47 3kd6 s ILE 138 CO 0.72 0.20 1.17 0.44 -0.10 0.00 0.00 174.94 177.37 3kd6 h ASP 139 N 7.19 0.21 -1.60 3.58 3.32 -1.71 -3.42 116.42 123.98 3kd6 h ASP 139 Ca -0.36 -0.63 -0.46 0.00 0.02 0.00 0.00 57.03 55.60 3kd6 h ASP 139 Cb 1.16 -0.06 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 3kd6 h ASP 139 CO 0.76 0.80 -0.90 -0.67 -1.72 0.00 0.00 179.24 177.51 3kd6 n ASP 140 N -4.60 -0.92 -4.76 6.45 2.03 -1.26 -5.12 116.55 108.36 3kd6 n ASP 140 Ca -0.08 -2.76 -0.40 0.00 0.52 0.00 0.00 54.79 52.06 3kd6 n ASP 140 Cb 0.40 0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 40.85 3kd6 n ASP 140 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3kd6 s PRO 141 N -0.35 4.62 0.07 -0.67 0.04 -1.26 -4.71 135.00 132.74 3kd6 s PRO 141 Ca 0.34 1.83 0.15 0.00 0.04 0.00 0.00 61.00 63.36 3kd6 s PRO 141 Cb 0.14 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.36 3kd6 s PRO 141 CO -0.15 0.18 0.90 -0.22 0.04 0.00 0.00 177.00 177.75 3kd6 h LYS 142 N 3.82 0.00 -2.19 4.56 3.64 -0.61 -3.47 116.57 122.32 3kd6 h LYS 142 Ca -0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3kd6 h LYS 142 Cb 1.21 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.81 3kd6 h LYS 142 CO 0.67 0.40 -0.10 -1.17 -2.27 0.00 0.00 179.45 176.98 3kd6 s LEU 143 N -5.99 -0.75 -0.23 5.20 2.96 -1.06 -5.05 118.68 113.77 3kd6 s LEU 143 Ca -0.02 1.34 -0.03 0.00 -0.22 0.00 0.00 54.13 55.20 3kd6 s LEU 143 Cb 0.08 2.06 0.00 0.00 0.50 0.00 0.00 46.19 48.84 3kd6 s LEU 143 CO 0.81 -0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.87 3kd6 s VAL 144 N 1.79 3.19 0.05 1.68 1.01 -1.26 -1.65 120.40 125.20 3kd6 s VAL 144 Ca -0.09 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3kd6 s VAL 144 Cb -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3kd6 s VAL 144 CO -0.18 0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.52 3kd6 s VAL 145 N 1.43 3.50 -0.03 2.92 1.01 0.23 -1.46 120.40 128.01 3kd6 s VAL 145 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 3kd6 s VAL 145 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.69 3kd6 s VAL 145 CO -0.04 0.28 0.29 0.00 0.00 0.00 0.00 175.10 175.63 3kd6 s ASP 147 N -1.12 0.36 0.00 0.00 1.47 -1.01 -0.57 116.67 115.80 3kd6 s ASP 147 Ca -0.12 -0.90 0.00 0.00 1.18 0.00 0.00 52.55 52.72 3kd6 s ASP 147 Cb -0.05 0.25 0.00 0.00 -0.34 0.00 0.00 42.92 42.78 3kd6 s ASP 147 CO 0.03 -0.65 0.00 1.07 0.68 0.00 0.00 175.17 176.30 3kd6 n THR 148 N 0.04 0.00 0.01 2.11 5.66 -1.26 -3.08 114.28 117.77 3kd6 n THR 148 Ca -0.14 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 3kd6 n THR 148 Cb 0.62 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.38 3kd6 n THR 148 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3kd6 h ASN 150 N 0.00 0.70 -0.69 1.09 -1.07 -1.98 -3.44 115.58 110.19 3kd6 h ASN 150 Ca 0.00 -0.46 0.14 0.00 0.07 0.00 0.00 56.30 56.06 3kd6 h ASN 150 Cb 0.00 -0.21 -0.10 0.00 -2.07 0.00 0.00 38.32 35.94 3kd6 h ASN 150 CO 0.00 1.23 0.15 0.15 0.07 0.00 0.00 177.43 179.02 3kd6 h PHE 151 N 0.41 0.23 0.04 4.14 3.57 -2.03 0.54 116.94 123.83 3kd6 h PHE 151 Ca -0.04 0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.23 3kd6 h PHE 151 Cb 1.34 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 3kd6 h PHE 151 CO 0.06 -0.08 -1.43 -1.49 -2.23 0.00 0.00 178.31 173.15 3kd6 h TRP 152 N 0.26 0.14 -0.42 0.41 4.06 -1.95 -0.13 115.95 118.31 3kd6 h TRP 152 Ca 0.38 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 61.19 3kd6 h TRP 152 Cb 0.62 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.76 3kd6 h TRP 152 CO -0.27 1.13 0.11 0.82 -3.56 0.00 0.00 178.44 176.67 3kd6 h ILE 153 N 0.02 1.19 0.04 1.49 2.04 -1.69 0.16 117.51 120.75 3kd6 h ILE 153 Ca -0.18 -0.65 -0.33 0.00 1.00 0.00 0.00 64.86 64.69 3kd6 h ILE 153 Cb 1.93 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 3kd6 h ILE 153 CO 0.12 0.24 -1.97 -0.62 0.00 0.00 0.00 178.15 175.92 3kd6 n GLU 154 N -4.32 0.68 0.11 2.37 1.02 0.12 -3.99 120.64 116.63 3kd6 n GLU 154 Ca 0.03 0.23 -0.21 0.00 -0.02 0.00 0.00 57.16 57.18 3kd6 n GLU 154 Cb 0.19 -1.70 -0.15 0.00 -0.02 0.00 0.00 31.44 29.76 3kd6 n GLU 154 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kd6 h GLY 155 N 2.72 0.47 -5.99 0.62 0.00 -0.90 -3.42 103.07 96.58 3kd6 h GLY 155 Ca -0.39 -1.21 -0.52 0.00 0.00 0.00 0.00 47.33 45.20 3kd6 h GLY 155 CO 0.06 1.06 -1.14 0.28 0.00 0.00 0.00 176.54 176.80 3kd6 n LYS 156 N -3.61 0.89 0.09 4.80 5.02 0.54 -4.99 118.16 120.90 3kd6 n LYS 156 Ca -0.17 -3.34 -0.13 0.00 -2.02 0.00 0.00 58.31 52.65 3kd6 n LYS 156 Cb 1.08 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 34.54 3kd6 n LYS 156 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kd6 h PRO 157 N 3.51 -0.56 -0.72 1.97 0.11 -1.69 -1.11 132.00 133.52 3kd6 h PRO 157 Ca 0.09 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.27 3kd6 h PRO 157 Cb 0.92 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3kd6 h PRO 157 CO 0.49 -0.37 0.45 0.93 -0.21 0.00 0.00 178.00 179.28 3kd6 h GLU 158 N -0.58 0.85 -0.58 1.05 4.39 -1.92 -0.21 114.58 117.57 3kd6 h GLU 158 Ca 0.04 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3kd6 h GLU 158 Cb 0.64 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3kd6 h GLU 158 CO -0.26 0.56 0.10 0.93 -1.16 0.00 0.00 179.01 179.17 3kd6 h GLU 159 N 0.87 0.96 -0.39 2.33 3.07 -1.92 -2.27 114.58 117.23 3kd6 h GLU 159 Ca 0.29 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3kd6 h GLU 159 Cb 0.03 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3kd6 h GLU 159 CO -0.11 0.91 0.22 1.25 -1.40 0.00 0.00 179.01 179.88 3kd6 h LEU 160 N 0.86 0.47 -2.14 1.33 5.85 -0.65 -1.88 115.31 119.15 3kd6 h LEU 160 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3kd6 h LEU 160 Cb 0.42 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3kd6 h LEU 160 CO 0.01 0.41 -0.04 0.11 -0.34 0.00 0.00 178.44 178.58 3kd6 h LYS 161 N 0.50 0.00 -0.39 1.25 1.57 -0.82 0.21 116.57 118.89 3kd6 h LYS 161 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3kd6 h LYS 161 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3kd6 h LYS 161 CO -0.02 0.04 -0.07 0.87 -0.57 0.00 0.00 179.45 179.69 3kd6 h LYS 162 N 0.00 0.74 -0.12 3.15 1.57 -0.76 -2.35 116.57 118.80 3kd6 h LYS 162 Ca -0.00 -0.27 -0.18 0.00 -1.87 0.00 0.00 60.65 58.33 3kd6 h LYS 162 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kd6 h LYS 162 CO 0.01 0.87 -0.68 -0.39 -0.57 0.00 0.00 179.45 178.69 3kd6 h VAL 163 N 0.55 1.35 -0.03 0.50 -1.51 -0.92 -3.07 116.25 113.12 3kd6 h VAL 163 Ca 0.10 -2.01 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 3kd6 h VAL 163 Cb 0.58 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.73 3kd6 h VAL 163 CO 0.03 0.61 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.83 3kd6 h LEU 164 N 0.36 0.03 -1.00 4.19 3.38 -0.91 -1.19 115.31 120.16 3kd6 h LEU 164 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kd6 h LEU 164 Cb 1.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3kd6 h LEU 164 CO 0.12 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3kd6 h ALA 165 N 1.88 1.00 -0.01 1.53 0.00 -1.32 -3.13 119.26 119.21 3kd6 h ALA 165 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kd6 h ALA 165 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kd6 h ALA 165 CO 0.01 0.00 -0.21 0.54 0.00 0.00 0.00 179.25 179.59 3kd6 n ARG 166 N -2.46 1.45 -4.33 0.00 1.74 -0.46 -4.87 116.66 107.74 3kd6 n ARG 166 Ca 0.01 -2.90 -0.29 0.00 -0.77 0.00 0.00 57.85 53.90 3kd6 n ARG 166 Cb 0.23 -1.56 -0.12 0.00 -1.02 0.00 0.00 32.46 29.99 3kd6 n ARG 166 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kd6 s VAL 167 N -3.03 2.68 -0.10 1.55 -7.23 -1.18 -4.94 120.40 108.14 3kd6 s VAL 167 Ca 0.35 -1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 3kd6 s VAL 167 Cb 0.32 -2.23 -0.28 0.00 0.56 0.00 0.00 36.38 34.76 3kd6 s VAL 167 CO -0.01 0.07 0.47 0.44 -0.31 0.00 0.00 175.10 175.76 3kd6 h ASP 168 N 3.69 0.47 -3.34 4.85 3.32 -1.60 -3.37 116.42 120.45 3kd6 h ASP 168 Ca -0.50 -0.93 -0.54 0.00 0.02 0.00 0.00 57.03 55.08 3kd6 h ASP 168 Cb 1.17 -0.15 -0.34 0.00 0.22 0.00 0.00 39.33 40.23 3kd6 h ASP 168 CO 0.45 1.81 -0.82 -0.69 -1.72 0.00 0.00 179.24 178.27 3kd6 s VAL 169 N -2.55 1.25 -0.15 -1.35 1.01 -0.71 -1.94 120.40 115.94 3kd6 s VAL 169 Ca -0.20 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3kd6 s VAL 169 Cb 0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3kd6 s VAL 169 CO 0.79 0.39 -0.13 0.12 0.00 0.00 0.00 175.10 176.27 3kd6 s PHE 170 N 0.91 2.82 -0.16 5.22 5.36 -0.46 -0.61 117.98 131.05 3kd6 s PHE 170 Ca -0.09 -0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 54.97 3kd6 s PHE 170 Cb -0.15 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.62 3kd6 s PHE 170 CO 0.01 -0.39 -0.12 0.42 -1.46 0.00 0.00 175.22 173.67 3kd6 s ILE 171 N 0.74 2.99 0.08 3.12 1.01 0.27 -1.08 121.20 128.33 3kd6 s ILE 171 Ca -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3kd6 s ILE 171 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3kd6 s ILE 171 CO 0.01 0.50 0.03 0.68 0.00 0.00 0.00 174.94 176.16 3kd6 s VAL 172 N 0.78 0.17 0.54 2.92 -7.23 -0.33 -4.21 120.40 113.04 3kd6 s VAL 172 Ca -0.05 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 3kd6 s VAL 172 Cb -0.15 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.17 3kd6 s VAL 172 CO 0.01 -0.79 0.77 0.54 -0.31 0.00 0.00 175.10 175.31 3kd6 s ASN 173 N -2.95 5.35 0.51 4.85 2.20 -1.26 -0.28 114.94 123.36 3kd6 s ASN 173 Ca 0.12 0.04 0.19 0.00 -0.94 0.00 0.00 52.86 52.27 3kd6 s ASN 173 Cb 0.07 -0.98 1.31 0.00 -2.00 0.00 0.00 41.25 39.66 3kd6 s ASN 173 CO -0.07 -1.09 2.12 -2.24 -2.94 0.00 0.00 177.10 172.88 3kd6 h ASP 174 N 0.10 0.00 -0.09 3.54 2.03 -1.83 -1.45 116.42 118.72 3kd6 h ASP 174 Ca -0.43 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.84 3kd6 h ASP 174 Cb 1.29 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3kd6 h ASP 174 CO 0.53 0.06 -0.08 0.28 -1.03 0.00 0.00 179.24 179.00 3kd6 h SER 175 N 0.00 0.23 -0.66 4.15 0.02 -1.94 -2.10 113.55 113.25 3kd6 h SER 175 Ca -0.00 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 3kd6 h SER 175 Cb 0.11 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3kd6 h SER 175 CO 0.01 0.66 0.38 -0.33 -1.14 0.00 0.00 176.83 176.41 3kd6 h GLU 176 N -0.20 0.91 -0.06 3.45 5.08 -1.89 -1.44 114.58 120.43 3kd6 h GLU 176 Ca 0.01 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3kd6 h GLU 176 Cb 0.59 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3kd6 h GLU 176 CO 0.02 0.67 -0.09 0.00 -1.00 0.00 0.00 179.01 178.61 3kd6 h ALA 177 N 1.19 -0.05 -0.40 3.43 0.00 -1.23 0.62 119.26 122.83 3kd6 h ALA 177 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kd6 h ALA 177 Cb 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kd6 h ALA 177 CO -0.04 -0.56 0.06 0.00 0.00 0.00 0.00 179.25 178.71 3kd6 h ARG 178 N -0.12 0.61 -0.70 0.00 3.08 -1.17 -0.85 114.38 115.22 3kd6 h ARG 178 Ca 0.05 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3kd6 h ARG 178 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3kd6 h ARG 178 CO -0.13 0.59 0.27 1.25 -1.07 0.00 0.00 179.97 180.88 3kd6 h LEU 179 N 0.59 0.97 -0.78 3.04 5.85 -0.51 0.25 115.31 124.72 3kd6 h LEU 179 Ca 0.13 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 3kd6 h LEU 179 Cb 0.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kd6 h LEU 179 CO 0.00 0.88 -0.54 -0.07 -0.34 0.00 0.00 178.44 178.38 3kd6 h LEU 180 N 1.00 0.22 0.03 2.25 3.38 -0.18 -3.33 115.31 118.68 3kd6 h LEU 180 Ca 0.23 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 3kd6 h LEU 180 Cb 0.22 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3kd6 h LEU 180 CO -0.02 0.72 -1.98 -1.54 0.09 0.00 0.00 178.44 175.71 3kd6 n SER 181 N -3.92 1.15 0.00 -0.43 3.41 -0.39 -4.96 113.62 108.48 3kd6 n SER 181 Ca -0.02 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3kd6 n SER 181 Cb 0.57 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3kd6 n SER 181 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kd6 n GLY 182 N 1.77 0.57 2.87 5.00 0.00 0.84 -5.03 105.19 111.22 3kd6 n GLY 182 Ca -0.26 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 3kd6 n GLY 182 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kd6 s ASP 183 N -2.14 0.48 0.55 1.61 2.15 -1.25 -5.06 116.67 113.01 3kd6 s ASP 183 Ca 0.00 -0.06 0.33 0.00 0.43 0.00 0.00 52.55 53.26 3kd6 s ASP 183 Cb 0.00 -0.18 1.53 0.00 -0.30 0.00 0.00 42.92 43.97 3kd6 s ASP 183 CO 0.00 -0.03 2.05 1.55 -0.17 0.00 0.00 175.17 178.57 3kd6 h PRO 184 N 6.75 0.00 -6.23 4.34 0.13 -1.96 -3.43 132.00 131.59 3kd6 h PRO 184 Ca -0.36 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.21 3kd6 h PRO 184 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3kd6 h PRO 184 CO 0.49 0.05 0.99 1.21 -0.23 0.00 0.00 178.00 180.51 3kd6 s ASN 185 N -5.74 6.75 0.41 1.44 3.84 -1.26 -4.91 114.94 115.47 3kd6 s ASN 185 Ca -0.01 1.68 0.15 0.00 0.21 0.00 0.00 52.86 54.89 3kd6 s ASN 185 Cb 0.11 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 39.14 3kd6 s ASN 185 CO 0.54 -0.94 1.90 -0.07 -2.79 0.00 0.00 177.10 175.74 3kd6 h LEU 186 N 10.38 0.00 0.01 3.21 3.38 -1.98 0.64 115.31 130.95 3kd6 h LEU 186 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3kd6 h LEU 186 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kd6 h LEU 186 CO 0.99 0.29 -0.01 0.58 0.09 0.00 0.00 178.44 180.38 3kd6 h VAL 187 N 0.00 1.29 -0.64 1.22 2.07 -1.97 -0.66 116.25 117.55 3kd6 h VAL 187 Ca -0.00 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3kd6 h VAL 187 Cb 0.53 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3kd6 h VAL 187 CO 0.04 0.24 0.11 0.50 0.02 0.00 0.00 177.57 178.48 3kd6 h LYS 188 N -0.42 1.05 -0.62 1.57 3.64 -1.93 -2.67 116.57 117.19 3kd6 h LYS 188 Ca -0.00 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3kd6 h LYS 188 Cb 0.41 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3kd6 h LYS 188 CO 0.00 0.95 0.34 1.15 -2.27 0.00 0.00 179.45 179.63 3kd6 h THR 189 N 0.98 0.98 -0.59 1.00 2.02 -0.79 -0.65 112.91 115.87 3kd6 h THR 189 Ca 0.20 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3kd6 h THR 189 Cb 0.41 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3kd6 h THR 189 CO 0.01 0.12 0.36 0.00 0.37 0.00 0.00 175.52 176.38 3kd6 h ALA 190 N 1.31 0.77 0.06 6.16 0.00 -0.79 0.67 119.26 127.44 3kd6 h ALA 190 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kd6 h ALA 190 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kd6 h ALA 190 CO -0.16 0.09 -0.03 -0.09 0.00 0.00 0.00 179.25 179.06 3kd6 h ARG 191 N 0.71 -0.08 -0.54 0.00 2.43 -1.06 0.15 114.38 115.98 3kd6 h ARG 191 Ca 0.24 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.50 3kd6 h ARG 191 Cb 0.03 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 3kd6 h ARG 191 CO -0.11 0.02 0.18 0.82 -1.51 0.00 0.00 179.97 179.37 3kd6 h ILE 192 N -0.17 0.78 -0.30 1.20 2.04 -0.76 -1.82 117.51 118.49 3kd6 h ILE 192 Ca -0.01 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 3kd6 h ILE 192 Cb 0.14 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3kd6 h ILE 192 CO 0.01 0.06 -0.16 0.40 0.00 0.00 0.00 178.15 178.47 3kd6 h ILE 193 N 0.35 1.30 0.00 -0.67 2.04 -0.67 -3.05 117.51 116.81 3kd6 h ILE 193 Ca 0.27 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3kd6 h ILE 193 Cb 0.32 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3kd6 h ILE 193 CO -0.29 0.41 -0.08 0.03 0.00 0.00 0.00 178.15 178.22 3kd6 h ARG 194 N 0.38 0.00 -2.85 2.37 3.08 -0.35 -3.35 114.38 113.67 3kd6 h ARG 194 Ca 0.06 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.83 3kd6 h ARG 194 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3kd6 h ARG 194 CO 0.05 0.08 1.39 0.39 -1.07 0.00 0.00 179.97 180.82 3kd6 n GLU 195 N -3.85 1.86 -0.09 0.04 1.02 -0.71 -3.72 120.64 115.19 3kd6 n GLU 195 Ca -0.02 -1.13 -0.10 0.00 -0.02 0.00 0.00 57.16 55.89 3kd6 n GLU 195 Cb 0.18 -2.17 -0.04 0.00 -0.02 0.00 0.00 31.44 29.39 3kd6 n GLU 195 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kd6 n GLY 197 N 3.20 -0.71 3.61 0.62 0.00 -1.26 -5.11 105.19 105.54 3kd6 n GLY 197 Ca 0.40 -0.22 -0.56 0.00 0.00 0.00 0.00 46.02 45.64 3kd6 n GLY 197 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kd6 n PRO 198 N -4.50 1.09 0.01 1.61 -0.02 -1.20 -4.86 135.00 127.13 3kd6 n PRO 198 Ca -0.16 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.63 3kd6 n PRO 198 Cb 0.46 -2.17 0.11 0.00 -0.02 0.00 0.00 33.50 31.88 3kd6 n PRO 198 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kd6 h LYS 199 N 8.70 0.52 -5.29 -0.52 1.57 -1.74 -3.41 116.57 116.40 3kd6 h LYS 199 Ca -0.39 -0.27 -0.66 0.00 -1.87 0.00 0.00 60.65 57.46 3kd6 h LYS 199 Cb 1.32 0.01 -0.28 0.00 0.08 0.00 0.00 32.23 33.37 3kd6 h LYS 199 CO 0.99 0.85 -0.77 0.99 -0.57 0.00 0.00 179.45 180.93 3kd6 s THR 200 N -4.19 2.96 -0.03 -0.16 2.01 -0.82 -4.45 115.64 110.95 3kd6 s THR 200 Ca -0.07 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3kd6 s THR 200 Cb 0.12 -2.24 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 3kd6 s THR 200 CO 0.82 0.52 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.91 3kd6 s LEU 201 N 0.44 1.89 -0.14 4.42 2.96 -0.57 -1.36 118.68 126.32 3kd6 s LEU 201 Ca -0.10 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3kd6 s LEU 201 Cb -0.16 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.72 3kd6 s LEU 201 CO 0.05 0.13 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.40 3kd6 s ILE 202 N 0.03 1.81 -0.29 6.68 1.01 -0.24 -0.02 121.20 130.18 3kd6 s ILE 202 Ca -0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 3kd6 s ILE 202 Cb -0.10 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.75 3kd6 s ILE 202 CO 0.01 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.87 3kd6 s ILE 203 N 1.06 3.65 -0.34 2.92 1.01 0.18 -1.19 121.20 128.50 3kd6 s ILE 203 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 3kd6 s ILE 203 Cb -0.14 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3kd6 s ILE 203 CO -0.05 0.04 0.28 -0.75 0.00 0.00 0.00 174.94 174.46 3kd6 s LYS 204 N 1.43 3.55 -1.31 2.79 2.20 0.61 -0.28 119.74 128.73 3kd6 s LYS 204 Ca 0.01 -0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 54.98 3kd6 s LYS 204 Cb -0.18 -3.80 0.14 0.00 -1.51 0.00 0.00 37.83 32.49 3kd6 s LYS 204 CO 0.01 -0.45 2.01 1.63 -0.36 0.00 0.00 175.35 178.19 3kd6 n LYS 205 N 5.19 3.67 0.00 4.03 5.02 -0.16 -2.59 118.16 133.33 3kd6 n LYS 205 Ca -0.12 -3.38 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 3kd6 n LYS 205 Cb 0.50 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 3kd6 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kd6 n GLY 206 N 2.81 2.98 1.68 0.72 0.00 -1.26 -0.78 105.19 111.34 3kd6 n GLY 206 Ca 0.45 -0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.19 3kd6 n GLY 206 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kd6 n GLU 207 N 14.00 3.91 -0.90 1.61 -0.58 -1.26 -4.30 120.64 133.12 3kd6 n GLU 207 Ca 0.00 -2.54 0.07 0.00 -0.42 0.00 0.00 57.16 54.27 3kd6 n GLU 207 Cb 0.00 -2.11 0.40 0.00 -0.57 0.00 0.00 31.44 29.17 3kd6 n GLU 207 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3kd6 n HIS 208 N 0.35 2.09 0.00 -0.32 8.25 0.04 -4.44 115.22 121.20 3kd6 n HIS 208 Ca 0.26 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 3kd6 n HIS 208 Cb 1.07 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.66 3kd6 n HIS 208 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kd6 n GLY 209 N 0.58 2.40 3.00 -1.41 0.00 -1.26 -4.46 105.19 104.05 3kd6 n GLY 209 Ca 0.28 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 3kd6 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd6 s ALA 210 N -2.36 0.39 -0.14 4.61 0.00 -0.86 -0.99 121.76 122.41 3kd6 s ALA 210 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 3kd6 s ALA 210 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3kd6 s ALA 210 CO 0.00 -0.02 -0.14 -0.51 0.00 0.00 0.00 175.76 175.09 3kd6 s LEU 211 N -1.08 2.62 -0.27 0.00 1.43 0.62 -0.50 118.68 121.50 3kd6 s LEU 211 Ca -0.08 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3kd6 s LEU 211 Cb -0.07 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3kd6 s LEU 211 CO -0.00 0.13 0.09 -0.22 0.23 0.00 0.00 176.35 176.58 3kd6 s LEU 212 N 0.56 3.63 -0.25 1.79 2.96 0.03 -0.64 118.68 126.75 3kd6 s LEU 212 Ca -0.09 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3kd6 s LEU 212 Cb -0.16 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.60 3kd6 s LEU 212 CO 0.04 -0.09 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.61 3kd6 s PHE 213 N 1.60 3.05 0.23 5.38 0.08 0.97 -1.25 117.98 128.06 3kd6 s PHE 213 Ca 0.06 -1.15 0.04 0.00 0.12 0.00 0.00 56.93 55.99 3kd6 s PHE 213 Cb -0.16 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 3kd6 s PHE 213 CO 0.04 -0.62 0.16 0.25 -0.10 0.00 0.00 175.22 174.95 3kd6 n THR 214 N 4.78 0.00 0.35 0.64 -2.24 -0.76 -1.51 114.28 115.53 3kd6 n THR 214 Ca -0.16 -1.59 0.14 0.00 -2.27 0.00 0.00 64.05 60.17 3kd6 n THR 214 Cb 0.49 0.72 0.57 0.00 -2.10 0.00 0.00 70.33 70.01 3kd6 n THR 214 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kd6 h ASP 215 N 1.26 0.00 0.28 3.42 3.32 -1.99 -2.53 116.42 120.17 3kd6 h ASP 215 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3kd6 h ASP 215 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3kd6 h ASP 215 CO 0.26 0.00 -0.25 0.59 -1.72 0.00 0.00 179.24 178.12 3kd6 n ASN 216 N -2.59 0.89 0.00 6.45 3.02 -1.26 -5.05 115.26 116.72 3kd6 n ASN 216 Ca 0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3kd6 n ASN 216 Cb 0.27 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 3kd6 n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kd6 n GLY 217 N 1.35 0.71 3.46 7.41 0.00 -0.96 -5.07 105.19 112.10 3kd6 n GLY 217 Ca 0.12 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3kd6 n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd6 s ILE 218 N -1.23 3.13 -0.15 -0.61 1.01 -1.26 -1.84 121.20 120.25 3kd6 s ILE 218 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3kd6 s ILE 218 Cb 0.00 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3kd6 s ILE 218 CO 0.00 0.57 -0.17 0.12 0.00 0.00 0.00 174.94 175.46 3kd6 s PHE 219 N -0.46 2.37 -0.38 3.97 5.36 -0.38 -4.97 117.98 123.49 3kd6 s PHE 219 Ca 0.06 -1.29 -0.12 0.00 -0.96 0.00 0.00 56.93 54.61 3kd6 s PHE 219 Cb -0.12 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.90 3kd6 s PHE 219 CO 0.02 -0.66 0.24 0.00 -1.46 0.00 0.00 175.22 173.36 3kd6 s ALA 220 N 1.22 3.36 -0.18 11.12 0.00 -1.26 -0.79 121.76 135.23 3kd6 s ALA 220 Ca 0.01 -1.68 -0.25 0.00 0.00 0.00 0.00 51.96 50.03 3kd6 s ALA 220 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 3kd6 s ALA 220 CO -0.08 -1.36 0.83 0.00 0.00 0.00 0.00 175.76 175.16 3kd6 s ALA 221 N 1.61 3.53 0.79 0.00 0.00 0.35 -4.94 121.76 123.11 3kd6 s ALA 221 Ca 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 3kd6 s ALA 221 Cb -0.19 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.76 3kd6 s ALA 221 CO 0.08 -0.68 1.13 -1.25 0.00 0.00 0.00 175.76 175.04 3kd6 s PRO 222 N 2.23 1.93 0.36 0.00 0.04 -1.26 -2.02 135.00 136.28 3kd6 s PRO 222 Ca 0.38 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 3kd6 s PRO 222 Cb -0.16 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3kd6 s PRO 222 CO 0.12 -1.93 0.68 0.00 0.04 0.00 0.00 177.00 175.91 3kd6 s ALA 223 N -2.59 3.46 -0.58 8.56 0.00 -1.26 -4.59 121.76 124.76 3kd6 s ALA 223 Ca 0.66 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 3kd6 s ALA 223 Cb -0.21 -2.53 0.05 0.00 0.00 0.00 0.00 23.12 20.42 3kd6 s ALA 223 CO 0.53 0.07 0.95 0.12 0.00 0.00 0.00 175.76 177.42 3kd6 s PHE 224 N -2.28 2.76 0.04 0.00 5.36 -1.26 -4.96 117.98 117.63 3kd6 s PHE 224 Ca 0.48 -0.18 -0.07 0.00 -0.96 0.00 0.00 56.93 56.20 3kd6 s PHE 224 Cb -0.10 -4.12 -0.02 0.00 -0.34 0.00 0.00 43.02 38.43 3kd6 s PHE 224 CO 0.32 -1.44 0.59 -2.30 -1.46 0.00 0.00 175.22 170.93 3kd6 n PRO 225 N 7.54 -0.10 -1.84 10.12 -0.02 -1.26 -2.18 135.00 147.25 3kd6 n PRO 225 Ca -0.00 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 3kd6 n PRO 225 Cb 0.47 -0.86 0.04 0.00 -0.02 0.00 0.00 33.50 33.13 3kd6 n PRO 225 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kd6 n LEU 226 N -3.52 6.93 -4.75 2.45 4.77 -1.26 -5.02 117.00 116.60 3kd6 n LEU 226 Ca 0.00 -4.73 -0.41 0.00 -0.03 0.00 0.00 56.01 50.84 3kd6 n LEU 226 Cb 0.06 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 3kd6 n LEU 226 CO -0.04 1.78 1.04 -0.70 -1.33 0.00 0.00 177.39 178.14 3kd6 s GLU 227 N -3.88 4.33 -0.60 3.23 2.12 -0.93 -4.95 118.70 118.02 3kd6 s GLU 227 Ca 0.55 2.19 -0.20 0.00 0.36 0.00 0.00 54.97 57.87 3kd6 s GLU 227 Cb 0.45 -3.13 0.09 0.00 0.26 0.00 0.00 34.13 31.80 3kd6 s GLU 227 CO -0.22 -0.31 0.77 0.45 -0.54 0.00 0.00 175.26 175.41 3kd6 s SER 228 N 0.19 6.19 -0.28 -1.70 0.15 -1.26 -5.02 113.70 111.96 3kd6 s SER 228 Ca 0.56 -1.23 -0.15 0.00 0.70 0.00 0.00 55.95 55.83 3kd6 s SER 228 Cb -0.39 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3kd6 s SER 228 CO 0.43 -1.19 0.39 -0.63 1.20 0.00 0.00 173.24 173.44 3kd6 s ILE 229 N 3.09 5.16 -0.03 6.45 1.01 -1.26 -4.08 121.20 131.54 3kd6 s ILE 229 Ca 0.15 0.55 0.03 0.00 0.00 0.00 0.00 60.65 61.38 3kd6 s ILE 229 Cb -0.21 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3kd6 s ILE 229 CO 0.08 0.12 0.01 -1.22 0.00 0.00 0.00 174.94 173.94 3kd6 n TYR 230 N 5.36 0.00 -3.22 3.97 4.01 0.99 -4.99 117.16 123.29 3kd6 n TYR 230 Ca -0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.65 3kd6 n TYR 230 Cb 0.50 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 3kd6 n TYR 230 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kd6 s ASP 231 N -3.33 -0.78 0.49 7.72 2.15 -0.55 -4.84 116.67 117.53 3kd6 s ASP 231 Ca -0.02 0.32 0.33 0.00 0.43 0.00 0.00 52.55 53.62 3kd6 s ASP 231 Cb 0.01 1.72 1.63 0.00 -0.30 0.00 0.00 42.92 45.98 3kd6 s ASP 231 CO 0.13 -0.30 2.00 -0.65 -0.17 0.00 0.00 175.17 176.18 3kd6 h PRO 232 N 8.07 0.00 -6.28 4.34 0.11 -1.91 -3.36 132.00 132.97 3kd6 h PRO 232 Ca -0.14 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.31 3kd6 h PRO 232 Cb 1.16 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.31 3kd6 h PRO 232 CO 0.23 0.00 0.73 2.41 -0.21 0.00 0.00 178.00 181.16 3kd6 n THR 233 N -2.75 0.16 -0.05 -1.15 -1.04 -1.26 -1.37 114.28 106.83 3kd6 n THR 233 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3kd6 n THR 233 Cb 0.15 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3kd6 n THR 233 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kd6 n GLY 234 N 3.39 1.91 0.17 3.41 0.00 -1.26 -4.77 105.19 108.04 3kd6 n GLY 234 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 3kd6 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd6 h ALA 235 N 0.00 0.36 -0.12 4.61 0.00 -1.55 0.19 119.26 122.75 3kd6 h ALA 235 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kd6 h ALA 235 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kd6 h ALA 235 CO 0.00 -0.40 -0.27 0.78 0.00 0.00 0.00 179.25 179.35 3kd6 h GLY 236 N 0.09 0.23 1.77 0.00 0.00 -1.92 -1.18 103.07 102.06 3kd6 h GLY 236 Ca 0.20 -0.18 -0.25 0.00 0.00 0.00 0.00 47.33 47.11 3kd6 h GLY 236 CO -0.35 0.16 -1.15 -0.55 0.00 0.00 0.00 176.54 174.65 3kd6 h ASP 237 N 0.19 0.22 0.64 0.19 3.32 -1.75 -2.40 116.42 116.82 3kd6 h ASP 237 Ca 0.03 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 3kd6 h ASP 237 Cb 0.59 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3kd6 h ASP 237 CO 0.04 1.19 -0.41 0.71 -1.72 0.00 0.00 179.24 179.05 3kd6 h THR 238 N 0.04 1.08 -0.11 0.35 1.35 -0.43 -1.01 112.91 114.18 3kd6 h THR 238 Ca -0.08 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 3kd6 h THR 238 Cb 1.88 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3kd6 h THR 238 CO 0.17 0.40 0.03 0.15 -0.25 0.00 0.00 175.52 176.02 3kd6 h PHE 239 N 0.00 0.18 -0.81 4.73 3.57 -1.13 -1.46 116.94 122.02 3kd6 h PHE 239 Ca -0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3kd6 h PHE 239 Cb 0.84 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 3kd6 h PHE 239 CO 0.00 0.33 0.53 0.00 -2.23 0.00 0.00 178.31 176.93 3kd6 h ALA 240 N 0.83 1.40 -0.48 2.41 0.00 -1.04 -0.35 119.26 122.03 3kd6 h ALA 240 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3kd6 h ALA 240 Cb 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3kd6 h ALA 240 CO -0.00 0.55 0.05 0.78 0.00 0.00 0.00 179.25 180.63 3kd6 h GLY 241 N 1.11 0.88 1.38 0.00 0.00 -0.88 -0.83 103.07 104.74 3kd6 h GLY 241 Ca 0.30 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 3kd6 h GLY 241 CO -0.06 0.56 -0.51 -1.33 0.00 0.00 0.00 176.54 175.20 3kd6 h GLY 242 N 0.68 0.72 0.95 4.60 0.00 -0.95 0.96 103.07 110.04 3kd6 h GLY 242 Ca 0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 3kd6 h GLY 242 CO 0.01 0.72 -0.42 -2.75 0.00 0.00 0.00 176.54 174.11 3kd6 h PHE 243 N 0.52 -1.09 0.00 5.60 3.57 -0.91 -0.18 116.94 124.45 3kd6 h PHE 243 Ca 0.02 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3kd6 h PHE 243 Cb 1.06 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 3kd6 h PHE 243 CO 0.05 -0.67 -0.48 0.97 -2.23 0.00 0.00 178.31 175.96 3kd6 h ILE 244 N -1.23 1.23 -0.18 1.41 2.10 -1.22 -2.75 117.51 116.86 3kd6 h ILE 244 Ca -0.12 -1.69 -0.00 0.00 1.08 0.00 0.00 64.86 64.13 3kd6 h ILE 244 Cb 0.90 1.94 -0.01 0.00 -1.09 0.00 0.00 36.82 38.57 3kd6 h ILE 244 CO 0.20 0.47 0.11 1.23 -1.08 0.00 0.00 178.15 179.07 3kd6 h GLY 245 N 1.68 0.27 0.97 8.18 0.00 -0.69 0.10 103.07 113.57 3kd6 h GLY 245 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.22 3kd6 h GLY 245 CO 0.06 0.11 0.10 0.84 0.00 0.00 0.00 176.54 177.66 3kd6 h HIS 246 N 0.20 0.19 -0.58 5.60 -0.00 -0.84 -0.00 115.15 119.72 3kd6 h HIS 246 Ca 0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3kd6 h HIS 246 Cb 0.04 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 3kd6 h HIS 246 CO -0.05 0.12 0.31 -0.07 -0.00 0.00 0.00 177.93 178.24 3kd6 h LEU 247 N 0.21 0.71 -0.84 0.26 3.38 -1.27 -1.14 115.31 116.63 3kd6 h LEU 247 Ca 0.07 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3kd6 h LEU 247 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3kd6 h LEU 247 CO -0.03 0.58 -0.38 0.00 0.09 0.00 0.00 178.44 178.71 3kd6 h ALA 248 N 1.54 1.01 -0.25 1.53 0.00 -0.31 0.88 119.26 123.65 3kd6 h ALA 248 Ca 0.21 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3kd6 h ALA 248 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kd6 h ALA 248 CO -0.03 0.60 -0.23 -0.09 0.00 0.00 0.00 179.25 179.50 3kd6 h ARG 249 N 0.34 0.59 -0.00 0.00 2.43 0.15 -3.13 114.38 114.76 3kd6 h ARG 249 Ca 0.04 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3kd6 h ARG 249 Cb 0.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3kd6 h ARG 249 CO 0.07 0.90 -0.38 0.00 -1.51 0.00 0.00 179.97 179.04 3kd6 n GLY 251 N 1.42 0.11 3.76 0.00 0.00 0.30 -4.93 105.19 105.85 3kd6 n GLY 251 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3kd6 n GLY 251 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kd6 s ASN 252 N -2.09 6.14 -0.24 1.61 3.84 -1.24 -5.00 114.94 117.96 3kd6 s ASN 252 Ca 0.00 0.28 0.13 0.00 0.21 0.00 0.00 52.86 53.48 3kd6 s ASN 252 Cb 0.00 -2.04 0.56 0.00 -0.55 0.00 0.00 41.25 39.22 3kd6 s ASN 252 CO 0.00 0.26 1.50 0.35 -2.79 0.00 0.00 177.10 176.42 3kd6 n THR 253 N 2.99 2.48 -0.54 -5.21 -2.24 -1.26 -4.81 114.28 105.69 3kd6 n THR 253 Ca -0.17 -2.11 -0.29 0.00 -2.27 0.00 0.00 64.05 59.20 3kd6 n THR 253 Cb 0.53 -0.30 0.27 0.00 -2.10 0.00 0.00 70.33 68.73 3kd6 n THR 253 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kd6 s SER 254 N -1.98 0.01 0.05 3.42 1.04 -1.26 -4.91 113.70 110.08 3kd6 s SER 254 Ca 0.45 1.10 -0.26 0.00 0.48 0.00 0.00 55.95 57.72 3kd6 s SER 254 Cb 0.38 -1.64 -0.17 0.00 0.10 0.00 0.00 66.02 64.69 3kd6 s SER 254 CO 0.07 -4.74 1.54 -0.08 0.98 0.00 0.00 173.24 171.01 3kd6 h GLU 255 N -2.99 -0.24 -0.88 4.02 4.57 -2.06 -2.97 114.58 114.03 3kd6 h GLU 255 Ca -0.52 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.75 3kd6 h GLU 255 Cb 1.34 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.92 3kd6 h GLU 255 CO 0.39 -0.04 0.57 0.00 -1.18 0.00 0.00 179.01 178.76 3kd6 h ALA 256 N 0.39 1.57 0.00 2.92 0.00 -2.00 -2.05 119.26 120.09 3kd6 h ALA 256 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kd6 h ALA 256 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kd6 h ALA 256 CO 0.04 0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.97 3kd6 n GLU 257 N -4.50 0.55 0.00 0.00 -0.58 -1.12 -2.32 120.64 112.67 3kd6 n GLU 257 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3kd6 n GLU 257 Cb 0.23 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 3kd6 n GLU 257 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kd6 n ARG 259 N 1.06 0.00 -0.06 3.49 1.74 -0.77 -0.42 116.66 121.70 3kd6 n ARG 259 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3kd6 n ARG 259 Cb 0.27 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.91 3kd6 n ARG 259 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kd6 h LYS 260 N 0.00 0.68 -0.62 5.56 1.57 -1.74 -2.28 116.57 119.72 3kd6 h LYS 260 Ca 0.00 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3kd6 h LYS 260 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3kd6 h LYS 260 CO 0.00 0.73 0.32 0.00 -0.57 0.00 0.00 179.45 179.93 3kd6 h ALA 261 N 1.32 1.39 -0.54 3.86 0.00 -1.01 -0.65 119.26 123.62 3kd6 h ALA 261 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3kd6 h ALA 261 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kd6 h ALA 261 CO 0.02 0.49 -0.05 0.28 0.00 0.00 0.00 179.25 179.99 3kd6 h VAL 262 N 0.87 1.26 -0.62 0.00 2.07 -1.68 -0.96 116.25 117.20 3kd6 h VAL 262 Ca 0.22 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3kd6 h VAL 262 Cb 0.06 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3kd6 h VAL 262 CO -0.03 0.42 0.16 -0.07 0.02 0.00 0.00 177.57 178.07 3kd6 h LEU 263 N 0.88 0.92 -0.66 2.57 3.38 -0.80 -0.40 115.31 121.21 3kd6 h LEU 263 Ca 0.15 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3kd6 h LEU 263 Cb 0.59 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3kd6 h LEU 263 CO 0.04 0.91 0.11 1.88 0.09 0.00 0.00 178.44 181.47 3kd6 h TYR 264 N 0.90 1.16 -0.67 1.13 0.05 -0.95 -0.84 116.97 117.75 3kd6 h TYR 264 Ca 0.20 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3kd6 h TYR 264 Cb 0.34 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 3kd6 h TYR 264 CO 0.02 0.98 0.37 0.78 -1.05 0.00 0.00 178.16 179.26 3kd6 h GLY 265 N 1.02 0.99 1.05 3.88 0.00 -0.84 -2.34 103.07 106.83 3kd6 h GLY 265 Ca 0.20 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3kd6 h GLY 265 CO 0.01 0.42 0.24 1.76 0.00 0.00 0.00 176.54 178.97 3kd6 h SER 266 N 0.91 1.05 0.00 0.19 0.02 -0.73 -1.08 113.55 113.92 3kd6 h SER 266 Ca 0.24 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3kd6 h SER 266 Cb 0.02 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.29 3kd6 h SER 266 CO -0.04 0.98 0.00 0.00 -1.14 0.00 0.00 176.83 176.63 3kd6 n ALA 267 N -2.44 1.23 0.00 3.77 0.00 -0.35 -0.82 120.51 121.90 3kd6 n ALA 267 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kd6 n ALA 267 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3kd6 n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd6 n ALA 269 N 0.61 0.00 0.27 0.00 0.00 -0.41 -2.82 120.51 118.17 3kd6 n ALA 269 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3kd6 n ALA 269 Cb 0.02 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.24 3kd6 n ALA 269 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kd6 h SER 270 N 0.00 0.00 0.22 0.00 4.64 -1.23 -2.44 113.55 114.74 3kd6 h SER 270 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3kd6 h SER 270 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3kd6 h SER 270 CO 0.00 0.09 -1.64 -0.26 -0.87 0.00 0.00 176.83 174.15 3kd6 h PHE 271 N 0.00 0.84 -0.59 4.77 0.04 -1.80 -3.37 116.94 116.83 3kd6 h PHE 271 Ca -0.00 -0.61 0.11 0.00 2.80 0.00 0.00 57.97 60.26 3kd6 h PHE 271 Cb 0.23 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 38.27 3kd6 h PHE 271 CO 0.00 1.63 0.15 0.00 -0.60 0.00 0.00 178.31 179.49 3kd6 n VAL 273 N -5.10 0.52 0.33 0.00 0.24 -1.08 -3.37 118.33 109.86 3kd6 n VAL 273 Ca 0.09 0.13 0.15 0.00 -2.04 0.00 0.00 64.34 62.67 3kd6 n VAL 273 Cb 0.31 -0.88 0.58 0.00 -1.47 0.00 0.00 33.84 32.38 3kd6 n VAL 273 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kd6 h GLU 274 N 0.00 0.00 -3.72 7.34 5.08 -1.47 0.31 114.58 122.12 3kd6 h GLU 274 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3kd6 h GLU 274 Cb 0.13 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 3kd6 h GLU 274 CO 0.00 0.00 -0.20 -0.65 -1.00 0.00 0.00 179.01 177.16 3kd6 s GLN 275 N -3.51 1.33 0.34 2.33 -0.21 -1.22 -4.57 119.66 114.16 3kd6 s GLN 275 Ca 0.03 -1.16 -0.28 0.00 0.02 0.00 0.00 55.36 53.97 3kd6 s GLN 275 Cb 0.09 0.43 -0.10 0.00 1.00 0.00 0.00 33.01 34.43 3kd6 s GLN 275 CO 0.51 -0.53 1.28 -0.06 -2.12 0.00 0.00 175.29 174.37 3kd6 s PHE 276 N -3.97 3.08 0.00 0.91 0.08 -1.26 -4.39 117.98 112.43 3kd6 s PHE 276 Ca 0.18 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.69 3kd6 s PHE 276 Cb 0.01 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 3kd6 s PHE 276 CO 0.03 -1.71 0.00 0.41 -0.10 0.00 0.00 175.22 173.85 3kd6 n GLY 277 N 0.82 -0.41 1.19 4.36 0.00 -1.26 -3.76 105.19 106.12 3kd6 n GLY 277 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 45.03 3kd6 n GLY 277 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kd6 n PRO 278 N -0.48 2.97 0.00 1.61 -0.04 -1.26 -4.57 135.00 133.22 3kd6 n PRO 278 Ca 0.00 -1.80 0.09 0.00 -0.04 0.00 0.00 63.50 61.75 3kd6 n PRO 278 Cb 0.00 -1.79 0.41 0.00 -0.04 0.00 0.00 33.50 32.08 3kd6 n PRO 278 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kd6 n TYR 279 N 0.49 0.00 0.24 0.54 4.01 -1.25 -2.24 117.16 118.96 3kd6 n TYR 279 Ca 0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.02 3kd6 n TYR 279 Cb 0.69 -0.41 0.59 0.00 -0.31 0.00 0.00 39.34 39.91 3kd6 n TYR 279 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kd6 h ARG 280 N 0.00 0.00 0.00 -0.72 9.65 -1.85 -2.18 114.38 119.28 3kd6 h ARG 280 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kd6 h ARG 280 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3kd6 h ARG 280 CO 0.00 0.16 0.00 0.66 2.80 0.00 0.00 179.97 183.59 3kd6 n TYR 281 N -3.43 0.00 -0.01 2.20 4.01 -0.95 -2.95 117.16 116.04 3kd6 n TYR 281 Ca -0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.62 3kd6 n TYR 281 Cb 0.35 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 3kd6 n TYR 281 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3kd6 h ASN 282 N 0.00 0.12 -0.02 7.72 4.21 -1.58 -3.33 115.58 122.70 3kd6 h ASN 282 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3kd6 h ASN 282 Cb 0.19 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3kd6 h ASN 282 CO 0.00 0.11 0.00 -0.90 -1.29 0.00 0.00 177.43 175.35 3kd6 n ASP 283 N -5.00 1.42 -4.68 5.81 5.68 -1.24 -5.03 116.55 113.50 3kd6 n ASP 283 Ca -0.05 -1.27 -0.45 0.00 -0.50 0.00 0.00 54.79 52.51 3kd6 n ASP 283 Cb 0.04 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 39.97 3kd6 n ASP 283 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3kd6 n LEU 284 N 0.11 3.36 -4.66 -2.12 7.94 -1.15 -4.98 117.00 115.48 3kd6 n LEU 284 Ca 0.02 1.05 -0.24 0.00 -1.11 0.00 0.00 56.01 55.73 3kd6 n LEU 284 Cb 0.11 -1.45 -0.08 0.00 0.53 0.00 0.00 43.42 42.53 3kd6 n LEU 284 CO 0.02 -0.15 -0.27 1.51 -1.11 0.00 0.00 177.39 177.39 3kd6 s ASP 285 N 1.57 4.34 0.35 1.96 1.47 -1.26 -5.00 116.67 120.09 3kd6 s ASP 285 Ca 0.81 -0.93 0.05 0.00 1.18 0.00 0.00 52.55 53.66 3kd6 s ASP 285 Cb -0.64 -0.59 0.71 0.00 -0.34 0.00 0.00 42.92 42.05 3kd6 s ASP 285 CO 0.39 -0.26 1.93 -0.07 0.68 0.00 0.00 175.17 177.84 3kd6 h LEU 286 N 1.72 0.72 -0.93 2.11 3.38 -1.98 -1.32 115.31 119.01 3kd6 h LEU 286 Ca -0.43 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3kd6 h LEU 286 Cb 1.25 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3kd6 h LEU 286 CO 0.66 0.45 0.59 -0.07 0.09 0.00 0.00 178.44 180.15 3kd6 h LEU 287 N 0.81 1.09 -0.48 1.67 3.38 -1.99 0.13 115.31 119.92 3kd6 h LEU 287 Ca 0.35 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.17 3kd6 h LEU 287 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3kd6 h LEU 287 CO -0.13 0.81 -0.11 -0.33 0.09 0.00 0.00 178.44 178.77 3kd6 h GLU 288 N 1.27 0.92 -0.24 1.13 5.08 -1.68 -1.17 114.58 119.89 3kd6 h GLU 288 Ca 0.34 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3kd6 h GLU 288 Cb -0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3kd6 h GLU 288 CO -0.07 1.01 0.04 0.28 -1.00 0.00 0.00 179.01 179.27 3kd6 h VAL 289 N 0.77 1.23 -0.98 3.13 2.07 -0.90 -1.60 116.25 119.98 3kd6 h VAL 289 Ca 0.12 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3kd6 h VAL 289 Cb 0.66 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3kd6 h VAL 289 CO 0.05 0.24 0.65 0.44 0.02 0.00 0.00 177.57 178.96 3kd6 h ASP 290 N 0.20 1.11 -0.64 0.57 3.32 -0.68 -1.07 116.42 119.23 3kd6 h ASP 290 Ca 0.07 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3kd6 h ASP 290 Cb 0.32 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kd6 h ASP 290 CO 0.00 0.80 0.10 -0.78 -1.72 0.00 0.00 179.24 177.65 3kd6 h ASP 291 N 1.31 1.01 0.00 6.45 3.58 -1.03 -2.08 116.42 125.67 3kd6 h ASP 291 Ca 0.36 -0.26 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 3kd6 h ASP 291 Cb -0.13 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.64 3kd6 h ASP 291 CO -0.08 1.01 -0.43 -0.09 -2.88 0.00 0.00 179.24 176.77 3kd6 h ARG 292 N 0.97 0.52 -0.39 0.28 9.65 -0.78 -2.51 114.38 122.11 3kd6 h ARG 292 Ca 0.19 -0.27 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3kd6 h ARG 292 Cb 0.43 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 3kd6 h ARG 292 CO 0.01 0.85 0.18 -0.92 2.80 0.00 0.00 179.97 182.89 3kd6 h TYR 293 N 0.43 0.58 -0.84 2.20 3.20 -1.07 -2.31 116.97 119.15 3kd6 h TYR 293 Ca 0.03 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3kd6 h TYR 293 Cb 0.93 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 3kd6 h TYR 293 CO 0.03 0.50 0.53 1.96 -1.64 0.00 0.00 178.16 179.54 3kd6 h GLN 294 N 0.49 0.96 -0.27 1.82 4.20 -1.16 0.14 115.11 121.28 3kd6 h GLN 294 Ca 0.13 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3kd6 h GLN 294 Cb 0.14 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3kd6 h GLN 294 CO -0.01 0.64 0.16 0.77 -0.67 0.00 0.00 178.83 179.72 3kd6 h SER 295 N 0.99 0.27 -0.42 1.46 0.02 -1.14 0.14 113.55 114.87 3kd6 h SER 295 Ca 0.36 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 3kd6 h SER 295 Cb 0.11 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3kd6 h SER 295 CO -0.15 0.20 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.44 3kd6 h PHE 296 N 0.34 0.91 0.32 3.45 0.04 -0.86 -0.81 116.94 120.34 3kd6 h PHE 296 Ca 0.11 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3kd6 h PHE 296 Cb -0.01 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.90 3kd6 h PHE 296 CO -0.07 0.86 -0.16 1.25 -0.60 0.00 0.00 178.31 179.59 3kd6 h LEU 297 N 0.77 -0.37 -1.27 1.54 5.85 -0.29 -1.33 115.31 120.22 3kd6 h LEU 297 Ca 0.14 -0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.96 3kd6 h LEU 297 Cb 0.53 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 3kd6 h LEU 297 CO 0.03 -0.19 0.58 -0.33 -0.34 0.00 0.00 178.44 178.18 3kd6 h GLU 298 N -0.52 0.70 0.00 1.25 5.08 -0.55 0.68 114.58 121.22 3kd6 h GLU 298 Ca -0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3kd6 h GLU 298 Cb 0.39 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kd6 h GLU 298 CO 0.07 0.46 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.19 3kd6 h LEU 299 N 0.72 0.00 -0.67 1.33 3.38 -0.83 -3.51 115.31 115.72 3kd6 h LEU 299 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3kd6 h LEU 299 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kd6 h LEU 299 CO -0.21 0.28 0.00 -1.54 0.09 0.00 0.00 178.44 177.07