#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3b s THR 2 N 0.00 2.49 -2.00 -3.53 -4.23 -1.26 -4.97 115.64 102.13 1k3b s THR 2 Ca 0.00 -0.85 0.20 0.00 -1.18 0.00 0.00 61.69 59.85 1k3b s THR 2 Cb 0.00 -2.64 0.56 0.00 1.34 0.00 0.00 72.50 71.76 1k3b s THR 2 CO 0.00 0.00 1.59 -2.65 -0.54 0.00 0.00 174.62 173.02 1k3b n PRO 3 N -2.27 0.71 -2.49 3.99 -0.02 -1.26 -4.84 135.00 128.82 1k3b n PRO 3 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 1k3b n PRO 3 Cb 0.60 -1.43 -0.04 0.00 -0.02 0.00 0.00 33.50 32.61 1k3b n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k3b s ALA 4 N -2.00 3.38 -0.49 3.55 0.00 -1.26 -4.95 121.76 119.98 1k3b s ALA 4 Ca 0.29 0.84 0.08 0.00 0.00 0.00 0.00 51.96 53.17 1k3b s ALA 4 Cb 0.13 -3.36 0.28 0.00 0.00 0.00 0.00 23.12 20.17 1k3b s ALA 4 CO 0.23 -0.24 0.70 -1.71 0.00 0.00 0.00 175.76 174.73 1k3b n ASN 5 N 2.41 2.08 -4.92 0.00 2.85 -1.26 -4.56 115.26 111.86 1k3b n ASN 5 Ca 0.03 -3.14 -0.26 0.00 -0.11 0.00 0.00 54.58 51.10 1k3b n ASN 5 Cb 0.46 -0.63 -0.02 0.00 1.24 0.00 0.00 39.78 40.83 1k3b n ASN 5 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k3b s THR 7 N -2.33 3.22 0.25 0.00 -4.23 -1.26 -4.38 115.64 106.90 1k3b s THR 7 Ca 0.43 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1k3b s THR 7 Cb -0.10 -3.04 0.23 0.00 1.34 0.00 0.00 72.50 70.93 1k3b s THR 7 CO 0.36 -0.19 1.85 0.22 -0.54 0.00 0.00 174.62 176.32 1k3b h TYR 8 N 1.48 1.02 -0.34 3.99 3.20 -1.99 -0.71 116.97 123.61 1k3b h TYR 8 Ca -0.44 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.39 1k3b h TYR 8 Cb 1.25 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1k3b h TYR 8 CO 0.60 0.50 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.47 1k3b h LEU 9 N 0.99 0.55 -1.80 2.82 3.38 -1.95 -1.61 115.31 117.70 1k3b h LEU 9 Ca 0.39 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1k3b h LEU 9 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1k3b h LEU 9 CO -0.19 0.68 0.19 0.44 0.09 0.00 0.00 178.44 179.65 1k3b h ASP 10 N 0.54 0.23 1.06 -0.43 3.45 -1.51 -2.50 116.42 117.27 1k3b h ASP 10 Ca 0.10 -0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.37 1k3b h ASP 10 Cb 0.47 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.16 1k3b h ASP 10 CO 0.03 0.16 -0.90 0.25 -1.57 0.00 0.00 179.24 177.20 1k3b h LEU 11 N 0.27 0.00 -9.69 1.55 5.85 -0.97 -3.46 115.31 108.86 1k3b h LEU 11 Ca 0.11 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.31 1k3b h LEU 11 Cb 0.12 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.19 1k3b h LEU 11 CO -0.02 0.90 0.69 -0.76 -0.34 0.00 0.00 178.44 178.91 1k3b s LEU 12 N -6.70 4.41 0.00 2.25 1.43 -0.89 -4.81 118.68 114.37 1k3b s LEU 12 Ca 0.01 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1k3b s LEU 12 Cb 0.10 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1k3b s LEU 12 CO 0.81 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1k3b n GLY 13 N 2.36 0.90 3.66 -3.19 0.00 -0.80 -4.99 105.19 103.13 1k3b n GLY 13 Ca 0.07 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1k3b n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k3b s THR 14 N -2.72 4.86 0.02 2.61 2.01 -0.64 -1.10 115.64 120.68 1k3b s THR 14 Ca 0.00 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1k3b s THR 14 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 1k3b s THR 14 CO 0.00 0.48 -0.24 0.26 -0.69 0.00 0.00 174.62 174.43 1k3b s TRP 15 N 0.18 2.13 -0.20 4.92 0.52 -0.01 -0.43 118.94 126.04 1k3b s TRP 15 Ca 0.05 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 55.74 1k3b s TRP 15 Cb -0.12 -1.31 -0.00 0.00 -1.15 0.00 0.00 33.47 30.88 1k3b s TRP 15 CO 0.00 0.05 -0.08 0.08 0.02 0.00 0.00 176.95 177.02 1k3b s VAL 16 N -0.70 3.11 -0.25 4.03 1.01 -0.17 -1.46 120.40 125.98 1k3b s VAL 16 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1k3b s VAL 16 Cb -0.09 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1k3b s VAL 16 CO 0.01 0.45 0.09 -0.36 0.00 0.00 0.00 175.10 175.29 1k3b s PHE 17 N 1.33 3.12 -0.26 5.22 0.08 -0.18 -1.66 117.98 125.62 1k3b s PHE 17 Ca 0.04 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 1k3b s PHE 17 Cb -0.14 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 1k3b s PHE 17 CO -0.04 -0.28 0.20 -0.65 -0.10 0.00 0.00 175.22 174.35 1k3b s GLN 18 N 1.52 4.00 -0.19 0.44 -1.52 -0.23 -0.90 119.66 122.79 1k3b s GLN 18 Ca 0.06 -0.27 -0.05 0.00 -1.95 0.00 0.00 55.36 53.15 1k3b s GLN 18 Cb -0.15 -3.62 -0.03 0.00 -0.22 0.00 0.00 33.01 28.99 1k3b s GLN 18 CO 0.05 -0.11 0.00 0.08 -0.25 0.00 0.00 175.29 175.06 1k3b s VAL 19 N 1.54 4.09 0.00 1.09 1.01 0.18 -1.48 120.40 126.83 1k3b s VAL 19 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1k3b s VAL 19 Cb -0.15 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1k3b s VAL 19 CO 0.09 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1k3b n GLY 20 N 3.96 2.11 0.78 4.51 0.00 0.73 -0.63 105.19 116.65 1k3b n GLY 20 Ca -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1k3b n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k3b n SER 21 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.45 113.62 117.16 1k3b n SER 21 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k3b n SER 21 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1k3b n SER 21 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k3b n SER 22 N -0.45 0.00 0.00 6.43 2.88 -1.13 -4.89 113.62 116.46 1k3b n SER 22 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k3b n SER 22 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k3b n SER 22 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k3b n GLY 23 N 0.00 5.21 4.02 0.46 0.00 0.46 -4.80 105.19 110.54 1k3b n GLY 23 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 1k3b n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k3b s SER 24 N 1.00 4.77 0.20 1.61 0.01 -1.26 0.50 113.70 120.53 1k3b s SER 24 Ca 0.00 -0.70 0.18 0.00 1.31 0.00 0.00 55.95 56.74 1k3b s SER 24 Cb 0.00 0.25 0.85 0.00 0.21 0.00 0.00 66.02 67.33 1k3b s SER 24 CO 0.00 -1.58 1.56 0.00 0.41 0.00 0.00 173.24 173.63 1k3b n GLN 25 N -2.49 0.12 -0.04 12.44 10.64 -1.26 -2.08 117.38 134.71 1k3b n GLN 25 Ca 0.16 0.47 0.01 0.00 -1.83 0.00 0.00 57.00 55.81 1k3b n GLN 25 Cb 0.61 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 28.09 1k3b n GLN 25 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1k3b n ARG 26 N -2.02 1.08 0.17 2.61 0.63 -1.26 -4.38 116.66 113.49 1k3b n ARG 26 Ca 0.01 -0.07 0.05 0.00 -0.92 0.00 0.00 57.85 56.92 1k3b n ARG 26 Cb 0.13 -1.35 0.20 0.00 0.45 0.00 0.00 32.46 31.89 1k3b n ARG 26 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1k3b h ASP 27 N 0.00 0.00 -3.15 6.15 3.32 -1.78 -3.46 116.42 117.50 1k3b h ASP 27 Ca -0.18 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.38 1k3b h ASP 27 Cb 1.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 1k3b h ASP 27 CO 0.01 0.39 -0.75 0.54 -1.72 0.00 0.00 179.24 177.71 1k3b s VAL 28 N -3.27 1.86 -0.30 -1.35 0.11 -0.89 -4.84 120.40 111.72 1k3b s VAL 28 Ca 0.02 -2.16 -0.03 0.00 -2.93 0.00 0.00 61.98 56.88 1k3b s VAL 28 Cb 0.09 -2.03 0.18 0.00 -1.53 0.00 0.00 36.38 33.09 1k3b s VAL 28 CO 0.70 -0.49 0.66 0.21 -3.33 0.00 0.00 175.10 172.84 1k3b s ASN 29 N -3.17 -1.26 -1.35 3.54 2.47 -1.26 -4.82 114.94 109.08 1k3b s ASN 29 Ca 0.22 0.89 -0.10 0.00 0.42 0.00 0.00 52.86 54.29 1k3b s ASN 29 Cb -0.03 2.10 0.12 0.00 -1.45 0.00 0.00 41.25 41.99 1k3b s ASN 29 CO 0.08 -0.24 2.10 0.00 -3.72 0.00 0.00 177.10 175.32 1k3b n SER 31 N 4.04 0.70 0.05 0.00 3.41 -1.26 -4.62 113.62 115.94 1k3b n SER 31 Ca 0.48 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1k3b n SER 31 Cb 0.34 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1k3b n SER 31 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1k3b n VAL 32 N -1.97 0.88 0.00 -3.33 0.24 -1.26 -4.92 118.33 107.97 1k3b n VAL 32 Ca -0.02 0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 1k3b n VAL 32 Cb 0.44 -1.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 1k3b n VAL 32 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1k3b n MET 33 N -3.41 0.00 0.00 7.34 1.56 -1.26 -4.82 117.12 116.53 1k3b n MET 33 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1k3b n MET 33 Cb 0.07 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.44 1k3b n MET 33 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1k3b n GLY 34 N 0.00 -1.79 3.64 -5.12 0.00 -1.26 -4.86 105.19 95.81 1k3b n GLY 34 Ca 0.00 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 1k3b n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k3b n PRO 35 N 0.00 1.01 -5.00 1.61 -0.04 -1.26 -4.94 135.00 126.38 1k3b n PRO 35 Ca 0.00 0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 63.58 1k3b n PRO 35 Cb 0.00 -2.25 -0.16 0.00 -0.04 0.00 0.00 33.50 31.05 1k3b n PRO 35 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1k3b s GLN 36 N -2.83 1.77 -0.07 0.54 -0.21 -1.26 -4.25 119.66 113.36 1k3b s GLN 36 Ca 0.76 -0.73 0.15 0.00 0.02 0.00 0.00 55.36 55.56 1k3b s GLN 36 Cb -0.42 -1.65 -0.22 0.00 1.00 0.00 0.00 33.01 31.71 1k3b s GLN 36 CO 0.47 0.40 0.24 0.39 -2.12 0.00 0.00 175.29 174.67 1k3b n GLU 37 N 2.72 0.88 -3.75 2.91 4.71 0.20 -4.93 120.64 123.37 1k3b n GLU 37 Ca -0.16 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.16 56.79 1k3b n GLU 37 Cb 0.53 -1.38 -0.07 0.00 -1.01 0.00 0.00 31.44 29.51 1k3b n GLU 37 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1k3b s LYS 38 N -2.84 0.89 0.04 3.49 0.00 -0.88 -5.01 119.74 115.43 1k3b s LYS 38 Ca -0.06 -0.70 0.07 0.00 0.00 0.00 0.00 55.97 55.28 1k3b s LYS 38 Cb 0.08 0.38 -0.03 0.00 0.00 0.00 0.00 37.83 38.26 1k3b s LYS 38 CO 0.64 -0.30 -0.16 0.21 0.00 0.00 0.00 175.35 175.74 1k3b s LYS 39 N -3.27 2.13 -0.05 1.78 2.20 -1.26 0.47 119.74 121.73 1k3b s LYS 39 Ca 0.00 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.63 1k3b s LYS 39 Cb 0.02 -2.24 0.03 0.00 -1.51 0.00 0.00 37.83 34.13 1k3b s LYS 39 CO -0.08 0.54 0.08 0.08 -0.36 0.00 0.00 175.35 175.62 1k3b s VAL 40 N -0.96 -0.14 -0.13 4.02 1.01 -0.07 -4.97 120.40 119.15 1k3b s VAL 40 Ca 0.16 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 1k3b s VAL 40 Cb -0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1k3b s VAL 40 CO 0.06 0.16 0.32 -0.69 0.00 0.00 0.00 175.10 174.95 1k3b s VAL 41 N 2.11 5.27 0.01 2.92 1.01 -1.26 -1.01 120.40 129.45 1k3b s VAL 41 Ca 0.03 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1k3b s VAL 41 Cb -0.12 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1k3b s VAL 41 CO -0.04 0.43 -0.13 0.68 0.00 0.00 0.00 175.10 176.04 1k3b s VAL 42 N 0.15 1.01 -0.17 2.92 -7.23 -0.53 -3.88 120.40 112.67 1k3b s VAL 42 Ca 0.18 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 1k3b s VAL 42 Cb -0.14 -0.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.92 1k3b s VAL 42 CO 0.06 0.17 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.62 1k3b s TYR 43 N -0.49 2.88 -0.20 2.82 2.02 0.45 -0.83 117.35 124.00 1k3b s TYR 43 Ca 0.03 -0.78 -0.04 0.00 -0.37 0.00 0.00 57.07 55.92 1k3b s TYR 43 Cb -0.06 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 1k3b s TYR 43 CO 0.00 -0.35 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.08 1k3b s LEU 44 N 0.80 2.97 0.03 -1.29 1.43 -0.26 -0.97 118.68 121.40 1k3b s LEU 44 Ca -0.03 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1k3b s LEU 44 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1k3b s LEU 44 CO 0.01 0.04 -0.24 -1.10 0.23 0.00 0.00 176.35 175.29 1k3b s GLN 45 N 1.14 1.69 0.00 1.70 -0.21 0.15 -1.91 119.66 122.22 1k3b s GLN 45 Ca 0.02 -1.01 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 1k3b s GLN 45 Cb -0.15 -1.80 -0.01 0.00 1.00 0.00 0.00 33.01 32.05 1k3b s GLN 45 CO -0.00 0.47 0.05 1.17 -2.12 0.00 0.00 175.29 174.86 1k3b n LYS 46 N 1.93 0.00 0.00 2.91 4.81 -1.26 -2.32 118.16 124.23 1k3b n LYS 46 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1k3b n LYS 46 Cb 0.52 -0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1k3b n LYS 46 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1k3b n LEU 47 N 0.07 0.00 -0.87 3.14 4.32 -1.26 -4.50 117.00 117.90 1k3b n LEU 47 Ca 0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.95 1k3b n LEU 47 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1k3b n LEU 47 CO 0.03 0.00 0.30 -0.90 -1.22 0.00 0.00 177.39 175.60 1k3b n ASP 48 N 5.06 -0.75 -4.84 -1.43 3.85 -1.17 -4.95 116.55 112.32 1k3b n ASP 48 Ca 0.00 -1.65 -0.37 0.00 -0.71 0.00 0.00 54.79 52.07 1k3b n ASP 48 Cb 0.00 0.23 -0.07 0.00 -1.35 0.00 0.00 41.12 39.93 1k3b n ASP 48 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1k3b s THR 49 N 0.00 5.45 0.00 2.12 -1.32 -0.98 -2.06 115.64 118.85 1k3b s THR 49 Ca 0.00 0.26 0.08 0.00 -1.21 0.00 0.00 61.69 60.82 1k3b s THR 49 Cb 0.00 -3.44 -0.02 0.00 -1.51 0.00 0.00 72.50 67.52 1k3b s THR 49 CO 0.00 0.57 -0.25 0.00 -2.21 0.00 0.00 174.62 172.73 1k3b s ALA 50 N -0.65 2.25 0.06 11.08 0.00 -0.11 -0.68 121.76 133.71 1k3b s ALA 50 Ca 0.14 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 1k3b s ALA 50 Cb -0.12 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1k3b s ALA 50 CO 0.03 0.54 0.24 1.52 0.00 0.00 0.00 175.76 178.08 1k3b s TYR 51 N -0.70 0.03 0.12 0.00 1.13 -0.14 0.66 117.35 118.44 1k3b s TYR 51 Ca 0.11 -0.31 0.00 0.00 -1.41 0.00 0.00 57.07 55.46 1k3b s TYR 51 Cb -0.10 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 1k3b s TYR 51 CO 0.00 -0.51 0.02 -0.40 -2.51 0.00 0.00 175.55 172.15 1k3b n ASP 52 N 0.32 2.15 0.19 -0.18 3.85 -0.94 -0.41 116.55 121.53 1k3b n ASP 52 Ca -0.17 -1.49 0.04 0.00 -0.71 0.00 0.00 54.79 52.46 1k3b n ASP 52 Cb 0.61 0.06 0.38 0.00 -1.35 0.00 0.00 41.12 40.82 1k3b n ASP 52 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1k3b h ASP 53 N 0.25 0.00 0.00 -1.12 3.45 -1.91 -2.78 116.42 114.30 1k3b h ASP 53 Ca -0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.37 1k3b h ASP 53 Cb 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1k3b h ASP 53 CO 0.15 0.37 0.00 0.18 -1.57 0.00 0.00 179.24 178.37 1k3b n LEU 54 N -3.93 0.00 0.00 1.55 4.77 -1.26 -4.85 117.00 113.28 1k3b n LEU 54 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1k3b n LEU 54 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1k3b n LEU 54 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1k3b n GLY 55 N 0.51 0.69 3.78 -0.72 0.00 -1.05 -5.04 105.19 103.36 1k3b n GLY 55 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1k3b n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k3b s ASN 56 N -2.29 6.70 0.09 1.61 0.01 -1.26 -4.88 114.94 114.93 1k3b s ASN 56 Ca 0.00 2.06 0.09 0.00 -0.71 0.00 0.00 52.86 54.30 1k3b s ASN 56 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1k3b s ASN 56 CO 0.00 -0.53 -0.23 -0.55 -1.51 0.00 0.00 177.10 174.28 1k3b s SER 57 N -1.56 3.51 0.00 -1.22 0.15 -1.26 -2.23 113.70 111.09 1k3b s SER 57 Ca 0.58 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1k3b s SER 57 Cb -0.22 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1k3b s SER 57 CO 0.28 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1k3b n GLY 58 N 1.22 3.05 3.25 9.45 0.00 0.21 -4.55 105.19 117.82 1k3b n GLY 58 Ca -0.17 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1k3b n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k3b s HIS 59 N -2.01 1.24 0.17 1.61 3.76 -0.47 -0.94 115.29 118.66 1k3b s HIS 59 Ca 0.00 -1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 53.76 1k3b s HIS 59 Cb 0.00 -0.71 0.01 0.00 1.11 0.00 0.00 32.58 32.99 1k3b s HIS 59 CO 0.00 -0.22 0.37 -0.59 -0.85 0.00 0.00 174.74 173.45 1k3b s PHE 60 N -3.66 0.18 -0.15 1.40 -0.12 -0.87 -0.59 117.98 114.16 1k3b s PHE 60 Ca 0.25 -0.54 -0.19 0.00 -0.05 0.00 0.00 56.93 56.40 1k3b s PHE 60 Cb 0.06 0.12 0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1k3b s PHE 60 CO 0.05 -0.79 0.50 -0.08 -0.05 0.00 0.00 175.22 174.85 1k3b s THR 61 N -3.93 0.01 0.52 -4.49 -1.32 -0.77 -4.70 115.64 100.96 1k3b s THR 61 Ca 0.13 -0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1k3b s THR 61 Cb 0.02 -0.73 -0.07 0.00 -1.51 0.00 0.00 72.50 70.21 1k3b s THR 61 CO -0.02 -0.03 0.97 -0.51 -2.21 0.00 0.00 174.62 172.82 1k3b s ILE 62 N -0.08 4.59 -0.51 5.08 2.07 -1.26 -2.08 121.20 129.01 1k3b s ILE 62 Ca -0.03 1.09 -0.04 0.00 -1.41 0.00 0.00 60.65 60.26 1k3b s ILE 62 Cb -0.03 -3.75 0.13 0.00 0.13 0.00 0.00 42.46 38.94 1k3b s ILE 62 CO 0.02 -0.76 0.33 -0.63 -1.91 0.00 0.00 174.94 172.00 1k3b s ILE 63 N -2.70 3.69 0.00 2.00 1.01 0.87 -4.88 121.20 121.19 1k3b s ILE 63 Ca 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 60.65 58.88 1k3b s ILE 63 Cb -0.10 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1k3b s ILE 63 CO 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 174.94 174.51 1k3b n TYR 64 N 4.24 0.00 -0.81 3.97 9.36 -1.26 -1.05 117.16 131.60 1k3b n TYR 64 Ca 0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.27 1k3b n TYR 64 Cb 0.40 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.17 1k3b n TYR 64 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1k3b n ASN 65 N 7.78 1.68 -0.03 2.98 0.23 -1.26 -4.83 115.26 121.81 1k3b n ASN 65 Ca 0.00 -2.36 -0.21 0.00 -0.53 0.00 0.00 54.58 51.48 1k3b n ASN 65 Cb 0.00 -0.21 -0.13 0.00 -2.08 0.00 0.00 39.78 37.36 1k3b n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k3b n GLN 66 N -0.78 0.72 0.00 -3.83 1.13 -0.22 -1.66 117.38 112.74 1k3b n GLN 66 Ca 0.07 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 1k3b n GLN 66 Cb 0.50 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1k3b n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k3b n GLY 67 N 1.90 1.20 3.31 1.08 0.00 -1.21 -0.73 105.19 110.75 1k3b n GLY 67 Ca -0.34 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1k3b n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k3b s PHE 68 N -1.85 0.04 -0.05 1.61 -0.71 -0.92 -0.09 117.98 116.01 1k3b s PHE 68 Ca 0.00 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1k3b s PHE 68 Cb 0.00 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.94 1k3b s PHE 68 CO 0.00 -0.69 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.10 1k3b s GLU 69 N -3.86 1.31 -0.09 1.99 2.12 -0.88 -3.13 118.70 116.16 1k3b s GLU 69 Ca 0.07 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1k3b s GLU 69 Cb 0.03 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.28 1k3b s GLU 69 CO -0.08 0.03 -0.20 0.42 -0.54 0.00 0.00 175.26 174.89 1k3b s ILE 70 N 0.60 1.71 -0.26 -3.70 1.01 -0.10 -1.86 121.20 118.61 1k3b s ILE 70 Ca -0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1k3b s ILE 70 Cb -0.14 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.86 1k3b s ILE 70 CO 0.02 0.48 -0.04 -0.69 0.00 0.00 0.00 174.94 174.71 1k3b s VAL 71 N 0.45 2.98 -0.21 2.92 1.01 0.24 -0.25 120.40 127.55 1k3b s VAL 71 Ca -0.17 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1k3b s VAL 71 Cb -0.17 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.73 1k3b s VAL 71 CO 0.07 0.15 0.51 -0.22 0.00 0.00 0.00 175.10 175.62 1k3b s LEU 72 N 1.33 -0.32 -1.42 3.92 0.20 -0.21 -1.37 118.68 120.82 1k3b s LEU 72 Ca -0.00 1.11 -0.05 0.00 0.69 0.00 0.00 54.13 55.88 1k3b s LEU 72 Cb -0.17 1.74 0.03 0.00 -0.43 0.00 0.00 46.19 47.36 1k3b s LEU 72 CO -0.03 -0.20 0.71 -3.20 -0.29 0.00 0.00 176.35 173.33 1k3b n ASN 73 N 3.98 -2.05 -1.32 3.68 5.15 -1.26 -1.57 115.26 121.87 1k3b n ASN 73 Ca -0.20 -0.87 -0.17 0.00 -0.60 0.00 0.00 54.58 52.74 1k3b n ASN 73 Cb 0.57 -3.68 -0.07 0.00 -0.53 0.00 0.00 39.78 36.06 1k3b n ASN 73 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1k3b n ASP 74 N -2.95 -5.07 -4.18 1.20 10.43 -1.26 -5.00 116.55 109.72 1k3b n ASP 74 Ca -0.19 0.42 -0.20 0.00 2.57 0.00 0.00 54.79 57.40 1k3b n ASP 74 Cb 0.63 -4.08 -0.13 0.00 1.84 0.00 0.00 41.12 39.38 1k3b n ASP 74 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1k3b s TYR 75 N -2.64 1.32 -0.14 1.24 2.02 -0.61 -0.30 117.35 118.25 1k3b s TYR 75 Ca 0.00 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1k3b s TYR 75 Cb 0.00 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1k3b s TYR 75 CO 0.00 0.07 -0.19 0.15 -1.57 0.00 0.00 175.55 174.01 1k3b s LYS 76 N -1.49 3.13 -0.14 -0.62 1.02 -0.18 -1.04 119.74 120.41 1k3b s LYS 76 Ca 0.01 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 1k3b s LYS 76 Cb -0.09 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1k3b s LYS 76 CO 0.02 0.05 -0.05 -1.58 -0.92 0.00 0.00 175.35 172.88 1k3b s TRP 77 N 0.69 3.01 -0.01 3.18 0.52 0.65 -2.36 118.94 124.61 1k3b s TRP 77 Ca -0.09 -0.25 -0.01 0.00 0.02 0.00 0.00 56.10 55.78 1k3b s TRP 77 Cb -0.16 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 1k3b s TRP 77 CO 0.01 0.04 0.03 0.12 0.02 0.00 0.00 176.95 177.17 1k3b s PHE 78 N 0.12 -0.03 -0.06 -1.98 2.19 -0.48 -0.92 117.98 116.82 1k3b s PHE 78 Ca -0.01 0.08 -0.29 0.00 0.33 0.00 0.00 56.93 57.04 1k3b s PHE 78 Cb -0.14 -0.02 0.10 0.00 -1.31 0.00 0.00 43.02 41.66 1k3b s PHE 78 CO 0.03 -0.02 0.86 0.00 1.83 0.00 0.00 175.22 177.91 1k3b s ALA 79 N 0.15 -1.84 0.19 11.12 0.00 -1.18 -0.80 121.76 129.40 1k3b s ALA 79 Ca -0.01 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1k3b s ALA 79 Cb -0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 1k3b s ALA 79 CO -0.00 -0.47 0.49 -0.06 0.00 0.00 0.00 175.76 175.72 1k3b s PHE 80 N -1.90 3.46 0.56 0.00 2.99 -1.26 -2.16 117.98 119.66 1k3b s PHE 80 Ca -0.02 0.79 -0.20 0.00 0.00 0.00 0.00 56.93 57.50 1k3b s PHE 80 Cb -0.01 -2.19 -0.05 0.00 0.00 0.00 0.00 43.02 40.78 1k3b s PHE 80 CO -0.00 0.35 1.21 -0.06 -0.00 0.00 0.00 175.22 176.72 1k3b s PHE 81 N -1.72 2.49 0.41 0.36 0.08 0.09 -0.67 117.98 119.03 1k3b s PHE 81 Ca 0.44 1.50 -0.25 0.00 0.12 0.00 0.00 56.93 58.74 1k3b s PHE 81 Cb -0.12 -3.49 -0.08 0.00 -0.57 0.00 0.00 43.02 38.76 1k3b s PHE 81 CO 0.22 -2.13 1.18 0.21 -0.10 0.00 0.00 175.22 174.60 1k3b s LYS 82 N -3.15 4.02 -0.04 0.44 2.20 -0.40 -4.40 119.74 118.41 1k3b s LYS 82 Ca 0.74 1.86 -0.18 0.00 -0.36 0.00 0.00 55.97 58.02 1k3b s LYS 82 Cb -0.31 -2.66 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1k3b s LYS 82 CO 0.35 -0.36 0.41 1.52 -0.36 0.00 0.00 175.35 176.91 1k3b s TYR 83 N -1.41 -0.33 -0.08 4.03 -0.85 -1.26 0.00 117.35 117.46 1k3b s TYR 83 Ca 0.58 0.58 0.02 0.00 -0.52 0.00 0.00 57.07 57.73 1k3b s TYR 83 Cb -0.31 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.21 1k3b s TYR 83 CO 0.39 -0.41 -0.14 0.15 -1.52 0.00 0.00 175.55 174.02 1k3b s LYS 84 N -1.08 1.96 -0.44 -3.49 1.02 0.66 -4.95 119.74 113.42 1k3b s LYS 84 Ca -0.11 -0.49 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 1k3b s LYS 84 Cb -0.04 -1.62 0.08 0.00 -0.52 0.00 0.00 37.83 35.74 1k3b s LYS 84 CO 0.05 0.02 0.32 -1.21 -0.92 0.00 0.00 175.35 173.61 1k3b s GLU 85 N 0.73 2.73 -0.60 1.68 2.02 -1.26 -1.74 118.70 122.25 1k3b s GLU 85 Ca -0.13 -1.46 -0.01 0.00 0.02 0.00 0.00 54.97 53.39 1k3b s GLU 85 Cb -0.16 -3.93 0.44 0.00 0.10 0.00 0.00 34.13 30.58 1k3b s GLU 85 CO 0.03 -1.01 2.02 -1.91 0.02 0.00 0.00 175.26 174.41 1k3b n GLU 86 N 5.02 2.53 -1.74 1.61 2.13 -0.41 -4.90 120.64 124.89 1k3b n GLU 86 Ca -0.11 -3.03 -0.01 0.00 0.66 0.00 0.00 57.16 54.68 1k3b n GLU 86 Cb 0.43 -2.19 -0.01 0.00 0.27 0.00 0.00 31.44 29.94 1k3b n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k3b n GLY 87 N -0.77 -3.38 4.43 8.31 0.00 -1.26 -4.37 105.19 108.15 1k3b n GLY 87 Ca 0.58 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1k3b n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k3b n SER 88 N 0.31 0.00 -4.56 1.61 7.64 -1.26 -4.90 113.62 112.45 1k3b n SER 88 Ca -0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 1k3b n SER 88 Cb 0.11 -0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.23 1k3b n SER 88 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k3b s LYS 89 N 0.00 3.68 -0.13 1.43 2.20 -1.26 -5.06 119.74 120.59 1k3b s LYS 89 Ca 0.00 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1k3b s LYS 89 Cb 0.00 -3.79 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1k3b s LYS 89 CO 0.00 -0.61 -0.05 0.08 -0.36 0.00 0.00 175.35 174.41 1k3b s VAL 90 N 2.39 3.76 -0.08 4.02 1.01 -1.26 -1.29 120.40 128.95 1k3b s VAL 90 Ca 0.19 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1k3b s VAL 90 Cb -0.15 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1k3b s VAL 90 CO 0.13 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.70 1k3b s THR 91 N 0.12 1.41 0.01 3.92 2.01 -0.71 -4.95 115.64 117.45 1k3b s THR 91 Ca -0.02 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 1k3b s THR 91 Cb -0.14 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1k3b s THR 91 CO 0.03 0.42 0.11 -0.89 -0.69 0.00 0.00 174.62 173.59 1k3b s THR 92 N 0.64 4.86 -0.30 -0.82 2.01 -1.26 -0.24 115.64 120.54 1k3b s THR 92 Ca -0.14 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1k3b s THR 92 Cb -0.16 -3.26 0.09 0.00 0.01 0.00 0.00 72.50 69.18 1k3b s THR 92 CO 0.04 0.30 0.09 -0.31 -0.69 0.00 0.00 174.62 174.05 1k3b s TYR 93 N -1.26 1.62 -1.38 4.92 2.02 0.10 -4.95 117.35 118.42 1k3b s TYR 93 Ca 0.25 -1.63 0.27 0.00 -0.37 0.00 0.00 57.07 55.59 1k3b s TYR 93 Cb -0.12 -1.62 1.32 0.00 -0.40 0.00 0.00 41.96 41.14 1k3b s TYR 93 CO 0.17 -0.85 1.90 0.00 -1.57 0.00 0.00 175.55 175.20 1k3b n ASN 95 N -1.31 3.38 -4.08 0.00 6.94 -1.26 -4.74 115.26 114.19 1k3b n ASN 95 Ca 0.12 -1.97 -0.10 0.00 -0.02 0.00 0.00 54.58 52.60 1k3b n ASN 95 Cb 0.22 -0.33 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 1k3b n ASN 95 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1k3b s GLU 96 N -1.34 1.09 0.25 -3.83 2.02 -1.09 -0.16 118.70 115.64 1k3b s GLU 96 Ca 0.41 -1.37 0.09 0.00 0.02 0.00 0.00 54.97 54.13 1k3b s GLU 96 Cb 0.23 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.71 1k3b s GLU 96 CO 0.31 -0.36 -0.15 0.95 0.02 0.00 0.00 175.26 176.02 1k3b s THR 97 N -4.04 2.03 1.01 3.63 -4.23 -0.61 -1.27 115.64 112.16 1k3b s THR 97 Ca 0.24 -2.28 -0.17 0.00 -1.18 0.00 0.00 61.69 58.30 1k3b s THR 97 Cb 0.05 -2.22 0.23 0.00 1.34 0.00 0.00 72.50 71.91 1k3b s THR 97 CO 0.03 -0.47 1.35 -0.04 -0.54 0.00 0.00 174.62 174.95 1k3b s MET 98 N -3.60 0.24 0.12 3.99 1.00 0.16 -4.48 119.30 116.73 1k3b s MET 98 Ca 0.27 -0.51 -0.31 0.00 0.00 0.00 0.00 55.69 55.13 1k3b s MET 98 Cb -0.02 -1.81 -0.09 0.00 0.00 0.00 0.00 34.83 32.92 1k3b s MET 98 CO 0.11 -2.67 1.47 0.99 0.00 0.00 0.00 175.02 174.92 1k3b s THR 99 N -3.92 3.07 0.52 2.05 2.01 -1.26 -4.63 115.64 113.48 1k3b s THR 99 Ca 0.77 0.74 0.02 0.00 0.31 0.00 0.00 61.69 63.53 1k3b s THR 99 Cb -0.02 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.03 1k3b s THR 99 CO 0.54 0.05 0.15 0.61 -0.69 0.00 0.00 174.62 175.28 1k3b n GLY 100 N 3.63 3.26 3.35 4.40 0.00 0.49 -4.75 105.19 115.57 1k3b n GLY 100 Ca 0.13 -2.34 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1k3b n GLY 100 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k3b s TRP 101 N -2.77 2.70 -0.03 1.61 0.51 0.02 -1.79 118.94 119.18 1k3b s TRP 101 Ca 0.12 -0.64 0.03 0.00 -2.12 0.00 0.00 56.10 53.49 1k3b s TRP 101 Cb -0.01 -1.75 0.00 0.00 -0.81 0.00 0.00 33.47 30.90 1k3b s TRP 101 CO 0.07 -0.18 -0.11 0.54 -0.51 0.00 0.00 176.95 176.77 1k3b s VAL 102 N 0.09 0.96 0.07 4.03 0.11 -0.66 -1.38 120.40 123.62 1k3b s VAL 102 Ca -0.07 -0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 58.31 1k3b s VAL 102 Cb -0.15 -0.85 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1k3b s VAL 102 CO 0.05 0.29 0.52 -1.38 -3.33 0.00 0.00 175.10 171.25 1k3b s HIS 103 N 0.23 -0.41 0.88 1.54 -3.43 -0.99 -1.23 115.29 111.88 1k3b s HIS 103 Ca -0.05 0.37 -0.11 0.00 -0.80 0.00 0.00 55.06 54.48 1k3b s HIS 103 Cb -0.10 0.36 0.12 0.00 -1.43 0.00 0.00 32.58 31.53 1k3b s HIS 103 CO 0.01 -0.68 1.11 0.16 -2.00 0.00 0.00 174.74 173.34 1k3b s ASP 104 N -2.19 3.37 0.65 7.38 1.47 -0.91 -1.01 116.67 125.43 1k3b s ASP 104 Ca -0.03 1.93 0.35 0.00 1.18 0.00 0.00 52.55 55.97 1k3b s ASP 104 Cb -0.00 -2.48 1.92 0.00 -0.34 0.00 0.00 42.92 42.01 1k3b s ASP 104 CO -0.05 -2.77 2.12 -0.37 0.68 0.00 0.00 175.17 174.79 1k3b h VAL 105 N -1.64 0.13 0.00 2.11 -1.51 -0.97 0.40 116.25 114.77 1k3b h VAL 105 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1k3b h VAL 105 Cb 1.26 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1k3b h VAL 105 CO 0.47 0.00 -0.36 -0.07 -1.23 0.00 0.00 177.57 176.38 1k3b h LEU 106 N 0.00 0.00 0.00 4.19 3.38 -1.89 -3.48 115.31 117.51 1k3b h LEU 106 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k3b h LEU 106 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1k3b h LEU 106 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1k3b n GLY 107 N 1.13 0.59 0.02 0.83 0.00 0.13 -5.02 105.19 102.88 1k3b n GLY 107 Ca 0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 1k3b n GLY 107 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k3b h ARG 108 N 0.17 -0.02 -5.49 1.61 2.47 -1.93 -3.43 114.38 107.77 1k3b h ARG 108 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1k3b h ARG 108 Cb 0.00 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.22 1k3b h ARG 108 CO 0.00 -0.01 -0.29 -0.80 0.56 0.00 0.00 179.97 179.43 1k3b s ASN 109 N -3.65 6.45 0.30 7.04 0.01 -1.26 -4.41 114.94 119.42 1k3b s ASN 109 Ca -0.00 0.52 0.10 0.00 -0.71 0.00 0.00 52.86 52.77 1k3b s ASN 109 Cb 0.00 -2.20 -0.06 0.00 0.41 0.00 0.00 41.25 39.40 1k3b s ASN 109 CO 0.01 0.05 -0.14 0.26 -1.51 0.00 0.00 177.10 175.77 1k3b s TRP 110 N 0.67 2.23 0.08 2.20 0.52 0.18 -2.14 118.94 122.69 1k3b s TRP 110 Ca 0.18 -0.47 -0.26 0.00 0.02 0.00 0.00 56.10 55.57 1k3b s TRP 110 Cb -0.14 -1.14 0.08 0.00 -1.15 0.00 0.00 33.47 31.13 1k3b s TRP 110 CO 0.05 0.58 0.86 0.00 0.02 0.00 0.00 176.95 178.46 1k3b s ALA 111 N -2.66 -1.71 0.12 0.98 0.00 -0.37 -0.41 121.76 117.72 1k3b s ALA 111 Ca 0.30 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1k3b s ALA 111 Cb -0.01 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1k3b s ALA 111 CO 0.14 -0.83 0.02 0.00 0.00 0.00 0.00 175.76 175.09 1k3b s PHE 113 N -1.45 0.08 0.00 0.00 -0.71 -0.74 -0.20 117.98 114.97 1k3b s PHE 113 Ca 0.27 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 1k3b s PHE 113 Cb -0.11 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1k3b s PHE 113 CO 0.19 -0.71 -0.11 0.95 -1.34 0.00 0.00 175.22 174.21 1k3b s THR 114 N -3.88 0.83 0.08 -4.49 -4.23 -0.55 -0.38 115.64 103.03 1k3b s THR 114 Ca 0.09 -0.56 0.09 0.00 -1.18 0.00 0.00 61.69 60.13 1k3b s THR 114 Cb 0.03 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 1k3b s THR 114 CO -0.06 0.15 -0.22 -0.83 -0.54 0.00 0.00 174.62 173.11 1k3b s GLY 115 N -0.47 1.56 -0.04 3.99 0.00 -1.26 -1.06 107.32 110.05 1k3b s GLY 115 Ca 0.03 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.43 1k3b s GLY 115 CO -0.00 -1.26 -0.04 0.54 0.00 0.00 0.00 173.10 172.35 1k3b s LYS 116 N -1.72 0.67 -0.14 2.90 1.02 -0.67 -1.57 119.74 120.22 1k3b s LYS 116 Ca 0.15 -0.07 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 1k3b s LYS 116 Cb -0.10 -0.71 -0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1k3b s LYS 116 CO 0.06 -0.07 1.17 0.21 -0.92 0.00 0.00 175.35 175.80 1k3b s LYS 117 N 0.83 4.29 -0.60 1.68 2.20 0.77 -1.00 119.74 127.91 1k3b s LYS 117 Ca -0.10 1.57 -0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1k3b s LYS 117 Cb -0.13 -3.66 0.46 0.00 -1.51 0.00 0.00 37.83 32.98 1k3b s LYS 117 CO -0.00 -0.58 1.89 1.33 -0.36 0.00 0.00 175.35 177.63 1k3b n VAL 118 N 5.07 3.44 -0.26 4.02 0.24 0.43 -4.96 118.33 126.31 1k3b n VAL 118 Ca 0.12 -3.13 0.00 0.00 -2.04 0.00 0.00 64.34 59.29 1k3b n VAL 118 Cb 0.46 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1k3b n VAL 118 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30