#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4c n GLY 12 N 0.00 -1.81 3.52 -0.02 0.00 -1.26 -5.08 105.19 100.54 1r4c n GLY 12 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 1r4c n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r4c n PRO 13 N -2.83 0.28 -3.20 1.61 -0.02 -1.26 -4.84 135.00 124.74 1r4c n PRO 13 Ca 0.00 -0.28 -0.36 0.00 -2.02 0.00 0.00 63.50 60.84 1r4c n PRO 13 Cb 0.00 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 1r4c n PRO 13 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1r4c s MET 14 N 8.02 4.14 0.99 -0.52 1.75 -1.25 -4.94 119.30 127.49 1r4c s MET 14 Ca 1.17 0.72 -0.16 0.00 -1.25 0.00 0.00 55.69 56.16 1r4c s MET 14 Cb -0.61 -2.88 -0.05 0.00 2.84 0.00 0.00 34.83 34.13 1r4c s MET 14 CO 0.37 0.42 -0.29 -0.25 -0.65 0.00 0.00 175.02 174.61 1r4c n ASP 15 N 0.72 -3.74 -3.69 1.11 9.92 -1.26 -2.52 116.55 117.09 1r4c n ASP 15 Ca -0.03 0.19 -0.11 0.00 -0.53 0.00 0.00 54.79 54.31 1r4c n ASP 15 Cb 0.51 -0.94 -0.10 0.00 -0.64 0.00 0.00 41.12 39.95 1r4c n ASP 15 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r4c s ALA 16 N -2.19 -1.18 0.14 2.24 0.00 -1.05 -4.32 121.76 115.41 1r4c s ALA 16 Ca 0.48 1.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.71 1r4c s ALA 16 Cb -0.16 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.93 1r4c s ALA 16 CO 0.73 -0.27 1.46 -1.12 0.00 0.00 0.00 175.76 176.56 1r4c s SER 17 N 1.11 6.73 0.41 0.00 0.01 -1.26 -4.51 113.70 116.19 1r4c s SER 17 Ca -0.07 2.45 0.35 0.00 1.31 0.00 0.00 55.95 59.99 1r4c s SER 17 Cb -0.07 -2.59 1.34 0.00 0.21 0.00 0.00 66.02 64.91 1r4c s SER 17 CO -0.10 -0.72 1.27 0.52 0.41 0.00 0.00 173.24 174.63 1r4c n VAL 18 N 3.86 -0.09 -2.88 3.43 0.31 -1.26 -1.19 118.33 120.51 1r4c n VAL 18 Ca 0.12 1.32 -0.17 0.00 -0.01 0.00 0.00 64.34 65.61 1r4c n VAL 18 Cb 0.41 -2.19 -0.00 0.00 -0.91 0.00 0.00 33.84 31.14 1r4c n VAL 18 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1r4c n GLU 19 N -3.89 1.60 -1.77 5.55 0.28 -1.26 -4.74 120.64 116.41 1r4c n GLU 19 Ca 0.35 -3.64 -0.30 0.00 -0.16 0.00 0.00 57.16 53.40 1r4c n GLU 19 Cb 1.50 -1.66 0.04 0.00 1.43 0.00 0.00 31.44 32.75 1r4c n GLU 19 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1r4c s GLU 20 N -2.95 2.94 0.05 3.44 2.12 -0.33 -4.84 118.70 119.13 1r4c s GLU 20 Ca 0.37 0.65 -0.12 0.00 0.36 0.00 0.00 54.97 56.23 1r4c s GLU 20 Cb 0.39 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 1r4c s GLU 20 CO -0.05 -1.02 1.21 0.93 -0.54 0.00 0.00 175.26 175.78 1r4c h GLU 21 N -0.65 -0.12 -0.57 4.30 5.08 -1.98 -0.88 114.58 119.76 1r4c h GLU 21 Ca -0.45 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1r4c h GLU 21 Cb 1.23 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1r4c h GLU 21 CO 0.61 -0.08 0.38 0.78 -1.00 0.00 0.00 179.01 179.70 1r4c h GLY 22 N -0.13 0.66 0.93 -3.84 0.00 -1.98 -1.68 103.07 97.03 1r4c h GLY 22 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1r4c h GLY 22 CO -0.25 0.16 0.13 -2.08 0.00 0.00 0.00 176.54 174.51 1r4c h VAL 23 N 0.52 1.17 -0.60 4.60 2.07 -1.67 0.27 116.25 122.61 1r4c h VAL 23 Ca 0.25 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1r4c h VAL 23 Cb 0.31 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1r4c h VAL 23 CO -0.07 0.18 0.29 0.03 0.02 0.00 0.00 177.57 178.02 1r4c h ARG 24 N 0.35 0.87 -0.52 1.57 2.47 -0.31 0.34 114.38 119.16 1r4c h ARG 24 Ca 0.10 -0.13 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 1r4c h ARG 24 Cb 0.15 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1r4c h ARG 24 CO -0.01 0.70 -0.02 0.00 0.56 0.00 0.00 179.97 181.19 1r4c h ARG 25 N 0.82 0.93 -0.54 0.04 3.08 -1.18 -1.12 114.38 116.41 1r4c h ARG 25 Ca 0.21 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 1r4c h ARG 25 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1r4c h ARG 25 CO -0.03 0.96 -0.03 0.00 -1.07 0.00 0.00 179.97 179.81 1r4c h ALA 26 N 0.93 0.93 0.33 0.04 0.00 0.13 -1.97 119.26 119.66 1r4c h ALA 26 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1r4c h ALA 26 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r4c h ALA 26 CO 0.03 0.64 -0.18 1.25 0.00 0.00 0.00 179.25 180.99 1r4c h LEU 27 N 0.87 -0.44 -0.59 0.00 5.85 -0.10 -0.96 115.31 119.93 1r4c h LEU 27 Ca 0.15 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1r4c h LEU 27 Cb 0.55 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1r4c h LEU 27 CO 0.03 -0.30 0.24 0.44 -0.34 0.00 0.00 178.44 178.52 1r4c h ASP 28 N -0.48 0.28 -0.22 1.25 3.45 -1.19 0.49 116.42 120.00 1r4c h ASP 28 Ca -0.04 0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.51 1r4c h ASP 28 Cb 0.38 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 1r4c h ASP 28 CO 0.05 0.17 0.08 0.15 -1.57 0.00 0.00 179.24 178.13 1r4c h PHE 29 N 0.45 0.15 -0.40 4.55 3.57 -1.19 -0.23 116.94 123.84 1r4c h PHE 29 Ca 0.29 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1r4c h PHE 29 Cb 0.31 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1r4c h PHE 29 CO -0.15 0.08 0.11 0.00 -2.23 0.00 0.00 178.31 176.12 1r4c h ALA 30 N 1.13 0.53 -0.68 2.41 0.00 -0.24 -1.38 119.26 121.03 1r4c h ALA 30 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r4c h ALA 30 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1r4c h ALA 30 CO -0.09 0.19 0.44 0.28 0.00 0.00 0.00 179.25 180.07 1r4c h VAL 31 N 0.50 1.13 -0.63 0.00 2.07 -0.82 0.34 116.25 118.84 1r4c h VAL 31 Ca 0.13 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1r4c h VAL 31 Cb 0.29 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 1r4c h VAL 31 CO -0.00 0.16 0.26 1.23 0.02 0.00 0.00 177.57 179.24 1r4c h GLY 32 N 0.87 0.90 1.52 2.17 0.00 -0.60 -0.79 103.07 107.15 1r4c h GLY 32 Ca 0.26 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 1r4c h GLY 32 CO -0.08 -0.00 -0.59 0.83 0.00 0.00 0.00 176.54 176.70 1r4c h GLU 33 N 0.45 0.49 -0.31 4.80 4.39 -0.81 -1.76 114.58 121.83 1r4c h GLU 33 Ca 0.32 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r4c h GLU 33 Cb 0.38 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1r4c h GLU 33 CO -0.30 0.94 0.19 -0.92 -1.16 0.00 0.00 179.01 177.76 1r4c h TYR 34 N 0.37 0.41 -0.36 4.33 3.20 -0.45 -1.69 116.97 122.78 1r4c h TYR 34 Ca -0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1r4c h TYR 34 Cb 1.13 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1r4c h TYR 34 CO 0.04 0.29 -0.18 -0.91 -1.64 0.00 0.00 178.16 175.76 1r4c h ASN 35 N 0.40 0.68 -0.74 -2.11 2.35 -1.07 -1.19 115.58 113.91 1r4c h ASN 35 Ca 0.11 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1r4c h ASN 35 Cb 0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1r4c h ASN 35 CO -0.02 0.87 0.35 0.50 -1.65 0.00 0.00 177.43 177.47 1r4c h LYS 36 N 0.61 1.08 0.00 0.81 3.64 -1.13 -3.10 116.57 118.48 1r4c h LYS 36 Ca 0.09 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1r4c h LYS 36 Cb 0.65 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1r4c h LYS 36 CO 0.05 0.84 -0.81 0.00 -2.27 0.00 0.00 179.45 177.26 1r4c h ALA 37 N 1.31 0.68 -2.39 5.00 0.00 -1.06 -3.47 119.26 119.33 1r4c h ALA 37 Ca 0.26 -0.36 -0.51 0.00 0.00 0.00 0.00 54.91 54.30 1r4c h ALA 37 Cb 0.13 0.06 0.07 0.00 0.00 0.00 0.00 17.79 18.05 1r4c h ALA 37 CO -0.03 0.42 0.41 -1.54 0.00 0.00 0.00 179.25 178.52 1r4c s SER 38 N -5.92 5.96 0.00 0.00 1.04 -0.47 -4.95 113.70 109.36 1r4c s SER 38 Ca 0.01 1.36 0.24 0.00 0.48 0.00 0.00 55.95 58.04 1r4c s SER 38 Cb 0.08 -2.33 0.55 0.00 0.10 0.00 0.00 66.02 64.42 1r4c s SER 38 CO 0.76 -1.04 1.46 0.59 0.98 0.00 0.00 173.24 175.99 1r4c n ASN 39 N -2.85 2.55 -4.76 7.02 5.03 -1.26 -4.95 115.26 116.05 1r4c n ASN 39 Ca 0.06 -1.84 -0.37 0.00 0.87 0.00 0.00 54.58 53.30 1r4c n ASN 39 Cb 0.55 -0.10 0.02 0.00 -1.02 0.00 0.00 39.78 39.23 1r4c n ASN 39 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1r4c s ASP 40 N -1.75 5.67 0.32 6.41 -1.08 -1.26 -4.93 116.67 120.06 1r4c s ASP 40 Ca 0.34 2.46 0.22 0.00 -0.52 0.00 0.00 52.55 55.05 1r4c s ASP 40 Cb 0.20 -2.61 0.17 0.00 -1.46 0.00 0.00 42.92 39.22 1r4c s ASP 40 CO 0.30 -1.27 1.36 0.00 0.52 0.00 0.00 175.17 176.08 1r4c h MET 41 N 1.60 0.00 -6.52 4.34 -0.00 -1.99 -3.46 114.93 108.90 1r4c h MET 41 Ca -0.50 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 58.68 1r4c h MET 41 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.87 1r4c h MET 41 CO 0.58 0.06 -0.11 0.71 -0.00 0.00 0.00 176.91 178.15 1r4c s TYR 42 N -3.22 3.48 0.00 -0.10 2.02 -1.26 -5.08 117.35 113.19 1r4c s TYR 42 Ca 0.04 0.68 -0.23 0.00 -0.37 0.00 0.00 57.07 57.18 1r4c s TYR 42 Cb 0.07 -2.14 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1r4c s TYR 42 CO 0.73 0.14 0.71 -1.58 -1.57 0.00 0.00 175.55 173.98 1r4c s HIS 43 N -2.11 3.68 0.05 2.71 5.65 -1.26 -5.07 115.29 118.94 1r4c s HIS 43 Ca 0.45 1.35 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1r4c s HIS 43 Cb -0.11 -2.77 -0.04 0.00 -1.18 0.00 0.00 32.58 28.49 1r4c s HIS 43 CO 0.30 0.24 0.19 -1.12 -0.65 0.00 0.00 174.74 173.70 1r4c s SER 44 N 0.16 6.25 0.12 9.88 0.01 -1.26 -5.12 113.70 123.73 1r4c s SER 44 Ca 0.37 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.89 1r4c s SER 44 Cb -0.19 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1r4c s SER 44 CO 0.20 0.18 -0.05 0.00 0.41 0.00 0.00 173.24 173.99 1r4c s ARG 45 N -2.41 0.93 0.02 12.44 1.70 -1.26 -4.92 118.95 125.45 1r4c s ARG 45 Ca 0.33 -1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 53.89 1r4c s ARG 45 Cb -0.13 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 33.96 1r4c s ARG 45 CO 0.26 -0.05 1.23 0.00 -1.08 0.00 0.00 175.30 175.66 1r4c s ALA 46 N -3.62 3.45 -0.03 7.88 0.00 -1.26 -4.90 121.76 123.28 1r4c s ALA 46 Ca 0.16 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 1r4c s ALA 46 Cb 0.05 -3.49 -0.30 0.00 0.00 0.00 0.00 23.12 19.38 1r4c s ALA 46 CO -0.02 -0.60 0.75 1.25 0.00 0.00 0.00 175.76 177.15 1r4c h LEU 47 N 7.42 0.58 -7.00 0.00 5.85 -2.06 -3.48 115.31 116.62 1r4c h LEU 47 Ca -0.39 -0.83 -0.02 0.00 0.84 0.00 0.00 57.88 57.49 1r4c h LEU 47 Cb 1.19 -0.19 -0.22 0.00 0.37 0.00 0.00 40.66 41.81 1r4c h LEU 47 CO 0.84 1.69 0.19 -1.58 -0.34 0.00 0.00 178.44 179.25 1r4c s GLN 48 N -2.59 0.77 -0.48 1.25 0.74 -1.26 -5.10 119.66 112.99 1r4c s GLN 48 Ca -0.13 0.92 -0.26 0.00 0.05 0.00 0.00 55.36 55.94 1r4c s GLN 48 Cb 0.06 0.37 0.03 0.00 1.10 0.00 0.00 33.01 34.56 1r4c s GLN 48 CO 0.86 -0.09 0.96 0.08 -0.55 0.00 0.00 175.29 176.55 1r4c s VAL 49 N 0.38 4.42 0.11 1.34 1.01 -1.26 -4.91 120.40 121.49 1r4c s VAL 49 Ca 0.00 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.84 1r4c s VAL 49 Cb -0.05 -4.48 -0.13 0.00 0.00 0.00 0.00 36.38 31.73 1r4c s VAL 49 CO -0.01 -0.90 1.38 -0.37 0.00 0.00 0.00 175.10 175.20 1r4c h VAL 50 N 6.10 1.52 -2.26 2.92 -1.51 -1.98 -3.46 116.25 117.58 1r4c h VAL 50 Ca -0.24 -2.96 -0.07 0.00 -1.23 0.00 0.00 66.70 62.20 1r4c h VAL 50 Cb 1.07 2.63 -0.22 0.00 -2.13 0.00 0.00 31.29 32.64 1r4c h VAL 50 CO 1.05 0.82 -0.01 -0.60 -1.23 0.00 0.00 177.57 177.61 1r4c s ARG 51 N -2.94 0.71 -0.02 5.19 3.52 -1.26 -5.12 118.95 119.03 1r4c s ARG 51 Ca 0.01 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 56.48 1r4c s ARG 51 Cb 0.10 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1r4c s ARG 51 CO 0.79 -0.09 -0.03 0.00 -0.81 0.00 0.00 175.30 175.17 1r4c s ALA 52 N 0.40 0.40 0.03 6.12 0.00 -1.26 -5.08 121.76 122.36 1r4c s ALA 52 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1r4c s ALA 52 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1r4c s ALA 52 CO -0.00 0.03 0.00 1.03 0.00 0.00 0.00 175.76 176.82 1r4c s ARG 53 N 0.41 0.45 0.08 0.00 1.81 -1.26 -2.51 118.95 117.92 1r4c s ARG 53 Ca -0.04 -0.78 0.04 0.00 -1.72 0.00 0.00 55.73 53.23 1r4c s ARG 53 Cb -0.08 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.56 1r4c s ARG 53 CO -0.01 -0.09 -0.12 -1.59 -0.68 0.00 0.00 175.30 172.82 1r4c s LYS 54 N -2.30 0.79 0.03 3.54 -2.85 -1.05 -4.91 119.74 112.99 1r4c s LYS 54 Ca -0.08 -1.02 0.01 0.00 -1.00 0.00 0.00 55.97 53.88 1r4c s LYS 54 Cb -0.04 -0.63 -0.02 0.00 -2.06 0.00 0.00 37.83 35.08 1r4c s LYS 54 CO -0.04 0.12 -0.04 1.14 0.10 0.00 0.00 175.35 176.63 1r4c s GLN 55 N -2.18 0.39 0.22 1.78 -2.07 -1.26 -3.80 119.66 112.73 1r4c s GLN 55 Ca 0.00 -0.68 -0.30 0.00 -1.82 0.00 0.00 55.36 52.56 1r4c s GLN 55 Cb -0.07 -0.00 -0.08 0.00 -1.09 0.00 0.00 33.01 31.77 1r4c s GLN 55 CO 0.01 -0.02 1.04 0.42 -1.32 0.00 0.00 175.29 175.41 1r4c s ILE 56 N -1.55 3.90 -0.26 3.63 1.01 -1.26 -5.02 121.20 121.65 1r4c s ILE 56 Ca -0.13 1.77 -0.07 0.00 0.00 0.00 0.00 60.65 62.22 1r4c s ILE 56 Cb -0.09 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 1r4c s ILE 56 CO -0.01 0.37 0.05 -0.69 0.00 0.00 0.00 174.94 174.66 1r4c s VAL 57 N -0.73 4.05 -0.11 2.92 1.01 -1.26 -5.07 120.40 121.22 1r4c s VAL 57 Ca 0.45 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1r4c s VAL 57 Cb -0.28 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1r4c s VAL 57 CO 0.35 0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.83 1r4c s ALA 58 N 1.56 0.18 0.00 5.51 0.00 -1.26 -5.13 121.76 122.62 1r4c s ALA 58 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1r4c s ALA 58 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1r4c s ALA 58 CO 0.02 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1r4c n GLY 59 N 5.30 2.20 2.82 0.00 0.00 -1.26 -4.83 105.19 109.41 1r4c n GLY 59 Ca -0.05 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1r4c n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r4c s VAL 60 N -2.17 -0.04 -0.16 1.61 1.01 0.43 -5.00 120.40 116.08 1r4c s VAL 60 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1r4c s VAL 60 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 1r4c s VAL 60 CO 0.00 0.07 0.32 0.20 0.00 0.00 0.00 175.10 175.68 1r4c s ASN 61 N 0.83 6.47 -0.17 3.32 0.01 -1.26 -0.41 114.94 123.72 1r4c s ASN 61 Ca -0.07 0.55 -0.06 0.00 -0.71 0.00 0.00 52.86 52.57 1r4c s ASN 61 Cb -0.10 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1r4c s ASN 61 CO -0.03 0.09 0.03 -0.31 -1.51 0.00 0.00 177.10 175.37 1r4c s TYR 62 N 0.49 3.18 -0.36 2.20 2.02 0.62 -4.95 117.35 120.55 1r4c s TYR 62 Ca 0.18 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1r4c s TYR 62 Cb -0.13 -2.02 0.09 0.00 -0.40 0.00 0.00 41.96 39.50 1r4c s TYR 62 CO 0.05 0.12 0.10 -0.06 -1.57 0.00 0.00 175.55 174.19 1r4c s PHE 63 N 0.27 3.50 -0.16 2.71 0.08 -1.26 -0.14 117.98 122.99 1r4c s PHE 63 Ca 0.01 -2.33 0.00 0.00 0.12 0.00 0.00 56.93 54.73 1r4c s PHE 63 Cb -0.13 -2.77 -0.00 0.00 -0.57 0.00 0.00 43.02 39.55 1r4c s PHE 63 CO 0.01 -0.91 -0.15 -0.51 -0.10 0.00 0.00 175.22 173.57 1r4c s LEU 64 N 1.14 2.51 -0.29 -0.37 1.43 -0.00 -4.98 118.68 118.12 1r4c s LEU 64 Ca 0.04 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1r4c s LEU 64 Cb -0.21 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1r4c s LEU 64 CO -0.04 0.08 0.15 -1.81 0.23 0.00 0.00 176.35 174.96 1r4c s ASP 65 N 0.84 5.63 -0.03 2.29 1.01 -1.26 -0.33 116.67 124.82 1r4c s ASP 65 Ca -0.05 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 52.96 1r4c s ASP 65 Cb -0.15 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.76 1r4c s ASP 65 CO -0.00 -0.11 -0.05 -0.69 0.21 0.00 0.00 175.17 174.53 1r4c s VAL 66 N 1.67 0.51 -0.15 -1.27 1.01 0.02 -4.99 120.40 117.20 1r4c s VAL 66 Ca 0.06 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1r4c s VAL 66 Cb -0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1r4c s VAL 66 CO 0.07 0.20 0.69 -0.70 0.00 0.00 0.00 175.10 175.36 1r4c s GLU 67 N 0.67 4.31 0.13 2.72 2.12 -1.26 -1.02 118.70 126.37 1r4c s GLU 67 Ca -0.09 0.77 0.08 0.00 0.36 0.00 0.00 54.97 56.09 1r4c s GLU 67 Cb -0.12 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1r4c s GLU 67 CO 0.00 -0.14 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.99 1r4c s LEU 68 N 1.55 3.08 0.01 2.70 1.43 0.78 -4.98 118.68 123.25 1r4c s LEU 68 Ca 0.33 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1r4c s LEU 68 Cb -0.16 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1r4c s LEU 68 CO 0.13 0.14 -0.01 -0.83 0.23 0.00 0.00 176.35 176.01 1r4c s GLY 69 N -2.49 0.14 0.24 -3.19 0.00 -1.26 -1.00 107.32 99.75 1r4c s GLY 69 Ca 0.23 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 1r4c s GLY 69 CO 0.15 -0.38 1.12 0.50 0.00 0.00 0.00 173.10 174.49 1r4c s ARG 70 N -0.85 4.60 0.44 2.90 0.52 -0.16 -4.98 118.95 121.43 1r4c s ARG 70 Ca -0.09 1.80 0.08 0.00 -0.52 0.00 0.00 55.73 57.00 1r4c s ARG 70 Cb -0.06 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.20 1r4c s ARG 70 CO -0.01 0.13 0.52 0.95 0.02 0.00 0.00 175.30 176.91 1r4c s THR 71 N -0.76 2.74 -1.88 0.02 -4.23 -1.26 -1.91 115.64 108.35 1r4c s THR 71 Ca 0.47 -1.14 0.24 0.00 -1.18 0.00 0.00 61.69 60.08 1r4c s THR 71 Cb -0.32 -2.88 0.64 0.00 1.34 0.00 0.00 72.50 71.28 1r4c s THR 71 CO 0.39 0.00 1.81 0.35 -0.54 0.00 0.00 174.62 176.63 1r4c n THR 72 N -1.78 0.05 -3.17 3.99 -2.24 -0.77 -4.74 114.28 105.63 1r4c n THR 72 Ca 0.07 0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.47 1r4c n THR 72 Cb 0.60 -0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1r4c n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r4c s THR 74 N 0.15 4.78 0.52 0.00 -4.23 -1.26 -4.96 115.64 110.65 1r4c s THR 74 Ca 0.32 0.61 0.31 0.00 -1.18 0.00 0.00 61.69 61.76 1r4c s THR 74 Cb -0.18 -3.84 0.35 0.00 1.34 0.00 0.00 72.50 70.17 1r4c s THR 74 CO 0.17 -0.93 2.19 0.11 -0.54 0.00 0.00 174.62 175.62 1r4c h LYS 75 N 0.15 0.00 0.00 3.99 1.57 -1.98 -2.80 116.57 117.50 1r4c h LYS 75 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1r4c h LYS 75 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1r4c h LYS 75 CO 0.62 0.05 0.00 0.25 -0.57 0.00 0.00 179.45 179.80 1r4c n THR 76 N -3.62 0.00 -4.07 -0.16 -2.24 -1.26 -4.83 114.28 98.10 1r4c n THR 76 Ca -0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1r4c n THR 76 Cb 0.15 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1r4c n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r4c s GLN 77 N -2.00 3.29 0.06 -0.78 -2.07 -1.06 -5.00 119.66 112.09 1r4c s GLN 77 Ca 0.25 -0.24 -0.24 0.00 -1.82 0.00 0.00 55.36 53.32 1r4c s GLN 77 Cb 0.12 -3.04 -0.17 0.00 -1.09 0.00 0.00 33.01 28.83 1r4c s GLN 77 CO 0.19 0.74 1.59 -1.00 -1.32 0.00 0.00 175.29 175.50 1r4c h PRO 78 N 5.10 0.00 -4.94 9.60 0.13 -1.90 -3.41 132.00 136.57 1r4c h PRO 78 Ca -0.53 -0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.96 1r4c h PRO 78 Cb 1.21 -0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1r4c h PRO 78 CO 0.57 0.15 -0.56 -0.80 -0.23 0.00 0.00 178.00 177.13 1r4c s ASN 79 N -5.35 5.64 -0.30 1.44 0.01 -1.26 -4.95 114.94 110.18 1r4c s ASN 79 Ca -0.14 -0.08 0.08 0.00 -0.71 0.00 0.00 52.86 52.01 1r4c s ASN 79 Cb 0.05 -2.03 0.46 0.00 0.41 0.00 0.00 41.25 40.14 1r4c s ASN 79 CO 0.66 -0.03 1.36 0.18 -1.51 0.00 0.00 177.10 177.76 1r4c n LEU 80 N 4.90 4.21 0.09 0.60 4.77 -1.26 -4.72 117.00 125.60 1r4c n LEU 80 Ca -0.15 -4.14 -0.05 0.00 -0.03 0.00 0.00 56.01 51.63 1r4c n LEU 80 Cb 0.52 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1r4c n LEU 80 CO 0.32 1.57 0.29 -2.24 -1.33 0.00 0.00 177.39 176.00 1r4c h ASP 81 N 1.41 0.06 -3.85 -1.43 -0.00 -1.99 -3.39 116.42 107.23 1r4c h ASP 81 Ca 0.23 -0.05 -0.62 0.00 -0.00 0.00 0.00 57.03 56.59 1r4c h ASP 81 Cb 1.38 -0.02 -0.40 0.00 -0.00 0.00 0.00 39.33 40.28 1r4c h ASP 81 CO 0.47 0.87 -0.69 0.21 -0.00 0.00 0.00 179.24 180.10 1r4c s ASN 82 N -6.81 3.95 -0.52 4.15 2.47 -1.26 -5.04 114.94 111.87 1r4c s ASN 82 Ca -0.01 -2.75 0.03 0.00 0.42 0.00 0.00 52.86 50.56 1r4c s ASN 82 Cb 0.11 -1.28 0.14 0.00 -1.45 0.00 0.00 41.25 38.77 1r4c s ASN 82 CO 0.80 -0.26 0.29 0.00 -3.72 0.00 0.00 177.10 174.21 1r4c s PRO 84 N -0.23 3.33 0.66 0.00 0.02 -1.26 -4.75 135.00 132.76 1r4c s PRO 84 Ca 0.19 1.93 -0.17 0.00 0.02 0.00 0.00 61.00 62.97 1r4c s PRO 84 Cb -0.21 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.10 1r4c s PRO 84 CO -0.03 -0.95 1.18 -0.06 -0.33 0.00 0.00 177.00 176.81 1r4c s PHE 85 N -1.49 2.31 0.47 6.54 0.08 -1.26 -1.85 117.98 122.79 1r4c s PHE 85 Ca 0.70 1.56 -0.24 0.00 0.12 0.00 0.00 56.93 59.07 1r4c s PHE 85 Cb -0.33 -3.41 -0.07 0.00 -0.57 0.00 0.00 43.02 38.64 1r4c s PHE 85 CO 0.38 -2.24 1.36 -1.01 -0.10 0.00 0.00 175.22 173.61 1r4c s HIS 86 N -1.90 2.51 -0.08 0.36 3.76 -0.80 -4.68 115.29 114.45 1r4c s HIS 86 Ca 0.74 1.35 -0.03 0.00 -0.15 0.00 0.00 55.06 56.97 1r4c s HIS 86 Cb -0.28 -3.79 -0.01 0.00 1.11 0.00 0.00 32.58 29.62 1r4c s HIS 86 CO 0.39 -2.63 -0.06 0.38 -0.85 0.00 0.00 174.74 171.98 1r4c h ASP 87 N 2.10 0.00 -1.21 1.40 -0.00 -1.92 -3.40 116.42 113.38 1r4c h ASP 87 Ca -0.50 0.00 -0.80 0.00 -0.00 0.00 0.00 57.03 55.72 1r4c h ASP 87 Cb 1.27 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.63 1r4c h ASP 87 CO 0.60 0.43 0.58 0.00 -0.00 0.00 0.00 179.24 180.85 1r4c n GLN 88 N -3.91 0.42 0.00 4.15 6.02 -1.26 -4.81 117.38 118.00 1r4c n GLN 88 Ca -0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1r4c n GLN 88 Cb 0.09 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1r4c n GLN 88 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1r4c n PRO 89 N 3.65 0.00 -0.10 -1.09 -0.02 -1.26 0.30 135.00 136.48 1r4c n PRO 89 Ca 0.26 0.11 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 1r4c n PRO 89 Cb 0.04 -0.22 0.04 0.00 -0.02 0.00 0.00 33.50 33.35 1r4c n PRO 89 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1r4c n HIS 90 N -0.70 0.23 -0.01 6.00 8.25 -1.26 -3.68 115.22 124.05 1r4c n HIS 90 Ca 0.00 -0.12 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 1r4c n HIS 90 Cb 0.00 -0.16 -0.14 0.00 1.12 0.00 0.00 29.99 30.81 1r4c n HIS 90 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1r4c h LEU 91 N 0.47 0.06 -1.61 2.41 3.38 -0.47 -3.33 115.31 116.22 1r4c h LEU 91 Ca 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1r4c h LEU 91 Cb 0.70 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1r4c h LEU 91 CO 0.06 1.11 -0.01 0.50 0.09 0.00 0.00 178.44 180.18 1r4c h LYS 92 N 0.01 0.23 -6.83 1.13 3.64 -1.63 -3.43 116.57 109.69 1r4c h LYS 92 Ca -0.27 -0.03 -0.57 0.00 -1.27 0.00 0.00 60.65 58.50 1r4c h LYS 92 Cb 1.99 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.75 1r4c h LYS 92 CO 0.09 0.27 -0.99 -2.13 -2.27 0.00 0.00 179.45 174.41 1r4c n ARG 93 N -4.39 -0.61 -1.70 1.90 0.63 -1.25 -0.98 116.66 110.26 1r4c n ARG 93 Ca -0.01 0.15 -0.44 0.00 -0.92 0.00 0.00 57.85 56.63 1r4c n ARG 93 Cb 0.18 -2.98 -0.02 0.00 0.45 0.00 0.00 32.46 30.08 1r4c n ARG 93 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1r4c n LYS 94 N -4.85 2.29 -4.49 -0.14 5.02 -1.26 -4.58 118.16 110.14 1r4c n LYS 94 Ca -0.14 0.81 -0.21 0.00 -2.02 0.00 0.00 58.31 56.75 1r4c n LYS 94 Cb 0.59 -2.52 -0.14 0.00 -0.02 0.00 0.00 35.03 32.93 1r4c n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r4c s ALA 95 N 0.03 1.09 -0.29 7.82 0.00 -0.17 0.09 121.76 130.32 1r4c s ALA 95 Ca 0.67 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 1r4c s ALA 95 Cb -0.59 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1r4c s ALA 95 CO 0.48 0.24 0.09 -0.06 0.00 0.00 0.00 175.76 176.52 1r4c s PHE 96 N -0.50 3.15 0.14 0.00 0.08 -0.47 -0.15 117.98 120.22 1r4c s PHE 96 Ca 0.04 -0.86 0.07 0.00 0.12 0.00 0.00 56.93 56.30 1r4c s PHE 96 Cb -0.06 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.08 1r4c s PHE 96 CO 0.00 -0.54 -0.05 0.00 -0.10 0.00 0.00 175.22 174.53 1r4c s SER 98 N -2.58 3.16 -0.06 0.00 0.01 0.48 -0.80 113.70 113.90 1r4c s SER 98 Ca 0.25 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1r4c s SER 98 Cb -0.10 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.78 1r4c s SER 98 CO 0.16 -0.07 -0.19 -0.36 0.41 0.00 0.00 173.24 173.19 1r4c s PHE 99 N 1.36 2.59 -0.22 2.43 0.08 0.56 -1.91 117.98 122.86 1r4c s PHE 99 Ca 0.02 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.60 1r4c s PHE 99 Cb -0.14 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1r4c s PHE 99 CO -0.10 -0.06 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.67 1r4c s GLN 100 N -0.31 2.63 -0.19 0.44 0.74 -0.01 -0.82 119.66 122.15 1r4c s GLN 100 Ca 0.02 -1.08 -0.03 0.00 0.05 0.00 0.00 55.36 54.32 1r4c s GLN 100 Cb -0.13 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 1r4c s GLN 100 CO 0.02 -0.39 -0.07 0.42 -0.55 0.00 0.00 175.29 174.72 1r4c s ILE 101 N 1.21 3.35 -0.32 -2.34 1.09 0.80 -0.48 121.20 124.51 1r4c s ILE 101 Ca -0.02 -0.52 -0.19 0.00 -1.10 0.00 0.00 60.65 58.82 1r4c s ILE 101 Cb -0.17 -2.48 -0.01 0.00 -1.06 0.00 0.00 42.46 38.74 1r4c s ILE 101 CO -0.08 0.46 0.56 -0.47 -0.10 0.00 0.00 174.94 175.31 1r4c s TYR 102 N 1.00 3.20 0.07 3.97 5.04 0.27 -0.27 117.35 130.64 1r4c s TYR 102 Ca -0.00 0.42 0.08 0.00 -2.44 0.00 0.00 57.07 55.13 1r4c s TYR 102 Cb -0.15 -2.92 -0.03 0.00 0.35 0.00 0.00 41.96 39.21 1r4c s TYR 102 CO -0.00 -0.47 -0.22 0.00 -1.34 0.00 0.00 175.55 173.52 1r4c s ALA 103 N 2.48 1.89 -0.59 3.97 0.00 0.45 -0.78 121.76 129.16 1r4c s ALA 103 Ca 0.22 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1r4c s ALA 103 Cb -0.15 -0.32 0.15 0.00 0.00 0.00 0.00 23.12 22.80 1r4c s ALA 103 CO 0.12 0.41 0.37 0.08 0.00 0.00 0.00 175.76 176.74 1r4c s VAL 104 N -0.96 2.50 0.36 0.00 1.01 -0.64 -0.43 120.40 122.24 1r4c s VAL 104 Ca 0.08 -3.66 0.10 0.00 0.00 0.00 0.00 61.98 58.50 1r4c s VAL 104 Cb -0.09 -2.69 0.33 0.00 0.00 0.00 0.00 36.38 33.92 1r4c s VAL 104 CO 0.03 -0.93 1.87 -0.65 0.00 0.00 0.00 175.10 175.42 1r4c h PRO 105 N 5.96 0.64 0.00 2.72 0.11 -1.94 0.20 132.00 139.70 1r4c h PRO 105 Ca 0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1r4c h PRO 105 Cb 0.83 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1r4c h PRO 105 CO 0.67 0.43 0.00 -2.67 -0.21 0.00 0.00 178.00 176.21 1r4c n TRP 106 N -4.56 0.00 0.18 0.65 2.14 -1.26 -2.38 117.44 112.21 1r4c n TRP 106 Ca 0.17 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.77 1r4c n TRP 106 Cb 0.49 -0.38 0.03 0.00 -0.81 0.00 0.00 31.31 30.64 1r4c n TRP 106 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1r4c n GLN 107 N -1.38 0.37 -1.54 -2.67 6.02 0.63 -5.01 117.38 113.79 1r4c n GLN 107 Ca 0.08 -1.01 -0.14 0.00 -0.01 0.00 0.00 57.00 55.92 1r4c n GLN 107 Cb 0.21 -1.11 -0.05 0.00 1.02 0.00 0.00 30.24 30.30 1r4c n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4c n GLY 108 N 0.26 1.26 3.72 1.08 0.00 -0.66 -5.01 105.19 105.84 1r4c n GLY 108 Ca 0.04 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1r4c n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4c s THR 109 N -2.56 4.02 -0.10 2.61 -4.23 -1.19 -5.00 115.64 109.19 1r4c s THR 109 Ca 0.00 -1.28 -0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1r4c s THR 109 Cb 0.00 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.83 1r4c s THR 109 CO 0.00 -0.10 0.26 -0.04 -0.54 0.00 0.00 174.62 174.20 1r4c s MET 110 N -2.98 0.32 0.03 3.99 -1.94 -1.26 -1.62 119.30 115.85 1r4c s MET 110 Ca 0.29 0.34 0.02 0.00 -1.71 0.00 0.00 55.69 54.63 1r4c s MET 110 Cb -0.10 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.88 1r4c s MET 110 CO 0.20 -0.04 -0.07 0.95 -0.01 0.00 0.00 175.02 176.05 1r4c s THR 111 N 0.07 0.54 -0.40 2.05 -4.23 0.04 -4.99 115.64 108.71 1r4c s THR 111 Ca -0.01 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 1r4c s THR 111 Cb -0.02 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.28 1r4c s THR 111 CO 0.01 -0.21 0.62 -0.22 -0.54 0.00 0.00 174.62 174.27 1r4c s LEU 112 N -1.12 4.41 -0.01 4.79 2.96 -1.26 -0.56 118.68 127.89 1r4c s LEU 112 Ca -0.06 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1r4c s LEU 112 Cb -0.07 -2.72 -0.34 0.00 0.50 0.00 0.00 46.19 43.56 1r4c s LEU 112 CO 0.00 -0.68 0.85 0.28 -1.32 0.00 0.00 176.35 175.48 1r4c h SER 113 N 8.69 0.75 -5.01 3.68 0.02 -1.14 -3.48 113.55 117.05 1r4c h SER 113 Ca -0.26 -0.93 -0.10 0.00 -0.84 0.00 0.00 61.79 59.65 1r4c h SER 113 Cb 1.10 -0.24 -0.19 0.00 0.14 0.00 0.00 62.40 63.21 1r4c h SER 113 CO 0.86 1.75 -0.23 -0.54 -1.14 0.00 0.00 176.83 177.53 1r4c s LYS 114 N -2.59 0.75 -0.27 3.45 1.02 -0.90 -4.97 119.74 116.23 1r4c s LYS 114 Ca -0.12 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 1r4c s LYS 114 Cb 0.05 0.33 0.11 0.00 -0.52 0.00 0.00 37.83 37.80 1r4c s LYS 114 CO 0.91 -0.22 0.61 0.45 -0.92 0.00 0.00 175.35 176.17 1r4c s SER 115 N -1.55 -0.92 0.03 2.83 0.15 -1.25 -0.83 113.70 112.15 1r4c s SER 115 Ca -0.11 1.43 0.02 0.00 0.70 0.00 0.00 55.95 57.99 1r4c s SER 115 Cb -0.03 1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 66.13 1r4c s SER 115 CO 0.02 -0.22 -0.07 0.42 1.20 0.00 0.00 173.24 174.59 1r4c s THR 116 N 2.51 0.46 -0.03 6.45 -4.23 -0.80 -4.99 115.64 115.01 1r4c s THR 116 Ca -0.06 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 1r4c s THR 116 Cb -0.10 -0.50 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1r4c s THR 116 CO -0.18 -0.25 0.08 0.00 -0.54 0.00 0.00 174.62 173.74 1r4c s GLN 118 N -0.07 0.31 0.66 0.00 -0.21 -0.41 -4.97 119.66 114.97 1r4c s GLN 118 Ca -0.01 -0.05 -0.17 0.00 0.02 0.00 0.00 55.36 55.14 1r4c s GLN 118 Cb -0.01 -0.36 -0.02 0.00 1.00 0.00 0.00 33.01 33.62 1r4c s GLN 118 CO 0.00 -0.00 1.03 -0.25 -2.12 0.00 0.00 175.29 173.95 1r4c n ASP 119 N 3.42 0.90 0.00 5.90 8.00 -1.26 -1.37 116.55 132.14 1r4c n ASP 119 Ca -0.18 0.75 0.01 0.00 0.71 0.00 0.00 54.79 56.08 1r4c n ASP 119 Cb 0.56 -1.43 0.06 0.00 -0.02 0.00 0.00 41.12 40.29 1r4c n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81