#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 1.32 3.10 -0.02 0.00 -1.26 -4.91 105.19 103.42 1r4c n GLY 12 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.00 -3.90 1.61 -0.02 -1.26 -4.90 135.00 126.53 1r4c n PRO 13 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1r4c n PRO 13 Cb 0.00 -1.36 -0.04 0.00 -0.02 0.00 0.00 33.50 32.08 1r4c n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r4c s MET 14 N 7.34 3.45 0.51 -0.52 0.23 -0.67 -4.85 119.30 124.80 1r4c s MET 14 Ca 1.19 -0.43 -0.23 0.00 -1.03 0.00 0.00 55.69 55.20 1r4c s MET 14 Cb -1.21 -3.01 -0.06 0.00 -1.53 0.00 0.00 34.83 29.02 1r4c s MET 14 CO 0.49 0.59 1.33 0.16 -2.03 0.00 0.00 175.02 175.55 1r4c s ASP 15 N -2.59 5.56 0.03 -1.18 -4.77 -1.26 -0.51 116.67 111.95 1r4c s ASP 15 Ca 0.35 2.69 0.02 0.00 -3.30 0.00 0.00 52.55 52.32 1r4c s ASP 15 Cb -0.13 -2.63 -0.02 0.00 -1.09 0.00 0.00 42.92 39.05 1r4c s ASP 15 CO 0.28 -1.36 -0.08 0.00 0.70 0.00 0.00 175.17 174.71 1r4c s ALA 16 N -1.34 0.61 0.20 2.11 0.00 -1.05 -4.77 121.76 117.51 1r4c s ALA 16 Ca 0.68 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1r4c s ALA 16 Cb -0.38 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 1r4c s ALA 16 CO 0.46 0.06 1.00 0.45 0.00 0.00 0.00 175.76 177.73 1r4c s SER 17 N -1.01 7.49 0.00 0.00 0.15 -1.26 -4.69 113.70 114.38 1r4c s SER 17 Ca -0.04 1.97 0.08 0.00 0.70 0.00 0.00 55.95 58.66 1r4c s SER 17 Cb -0.07 -2.60 0.36 0.00 -1.71 0.00 0.00 66.02 61.99 1r4c s SER 17 CO 0.00 -0.02 1.24 1.33 1.20 0.00 0.00 173.24 177.00 1r4c n VAL 18 N 2.00 1.36 1.09 4.45 0.24 -1.26 -1.08 118.33 125.13 1r4c n VAL 18 Ca 0.00 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.76 1r4c n VAL 18 Cb 0.47 -1.20 0.17 0.00 -1.47 0.00 0.00 33.84 31.81 1r4c n VAL 18 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r4c n GLU 19 N -1.47 0.68 -1.80 7.34 -0.58 -1.26 -4.18 120.64 119.36 1r4c n GLU 19 Ca 0.02 -0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 55.87 1r4c n GLU 19 Cb 0.09 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1r4c n GLU 19 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1r4c s GLU 20 N -2.66 4.11 0.34 3.49 2.02 -0.24 -4.83 118.70 120.94 1r4c s GLU 20 Ca 0.18 2.57 0.05 0.00 0.02 0.00 0.00 54.97 57.79 1r4c s GLU 20 Cb 0.18 -2.97 0.61 0.00 0.10 0.00 0.00 34.13 32.06 1r4c s GLU 20 CO 0.62 -0.53 1.87 1.05 0.02 0.00 0.00 175.26 178.29 1r4c h GLU 21 N 3.03 0.48 -0.70 1.61 4.11 -1.91 -0.61 114.58 120.59 1r4c h GLU 21 Ca -0.51 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 58.82 1r4c h GLU 21 Cb 1.24 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1r4c h GLU 21 CO 0.64 0.54 0.45 0.78 0.07 0.00 0.00 179.01 181.49 1r4c h GLY 22 N 0.83 0.99 0.84 1.06 0.00 -1.95 -0.92 103.07 103.93 1r4c h GLY 22 Ca 0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1r4c h GLY 22 CO 0.01 0.38 -0.16 -2.08 0.00 0.00 0.00 176.54 174.69 1r4c h VAL 23 N 0.95 1.31 -0.76 4.60 2.07 -1.57 -1.80 116.25 121.05 1r4c h VAL 23 Ca 0.25 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1r4c h VAL 23 Cb -0.09 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1r4c h VAL 23 CO -0.05 0.39 0.36 0.03 0.02 0.00 0.00 177.57 178.32 1r4c h ARG 24 N 0.20 1.10 -0.26 1.57 3.08 -1.04 0.91 114.38 119.94 1r4c h ARG 24 Ca 0.04 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 1r4c h ARG 24 Cb 0.68 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1r4c h ARG 24 CO 0.04 0.85 -0.57 0.00 -1.07 0.00 0.00 179.97 179.22 1r4c h ARG 25 N 1.09 0.81 -0.49 0.04 3.08 -1.13 -1.65 114.38 116.14 1r4c h ARG 25 Ca 0.26 -0.53 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 1r4c h ARG 25 Cb 0.12 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1r4c h ARG 25 CO -0.03 1.16 0.01 0.00 -1.07 0.00 0.00 179.97 180.03 1r4c h ALA 26 N 0.73 1.09 0.41 0.04 0.00 -0.86 -0.80 119.26 119.86 1r4c h ALA 26 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1r4c h ALA 26 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1r4c h ALA 26 CO 0.12 0.58 -0.20 1.25 0.00 0.00 0.00 179.25 181.00 1r4c h LEU 27 N 0.76 -0.47 -0.86 0.00 5.85 -0.70 0.13 115.31 120.02 1r4c h LEU 27 Ca 0.15 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1r4c h LEU 27 Cb 0.45 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1r4c h LEU 27 CO 0.02 -0.22 0.50 0.44 -0.34 0.00 0.00 178.44 178.83 1r4c h ASP 28 N -0.70 0.70 -0.57 1.25 3.45 -1.26 -0.88 116.42 118.42 1r4c h ASP 28 Ca -0.06 0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.37 1r4c h ASP 28 Cb 0.50 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 1r4c h ASP 28 CO 0.09 0.39 0.03 0.15 -1.57 0.00 0.00 179.24 178.33 1r4c h PHE 29 N 0.81 1.06 -0.21 4.55 3.57 -0.94 -0.28 116.94 125.50 1r4c h PHE 29 Ca 0.42 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1r4c h PHE 29 Cb 0.41 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1r4c h PHE 29 CO -0.05 0.95 -0.04 0.00 -2.23 0.00 0.00 178.31 176.94 1r4c h ALA 30 N 0.98 0.29 -0.58 2.41 0.00 -0.11 0.49 119.26 122.74 1r4c h ALA 30 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1r4c h ALA 30 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1r4c h ALA 30 CO 0.02 0.06 0.33 0.28 0.00 0.00 0.00 179.25 179.95 1r4c h VAL 31 N 0.14 1.18 -0.27 0.00 2.07 -1.10 0.33 116.25 118.60 1r4c h VAL 31 Ca 0.06 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1r4c h VAL 31 Cb 0.48 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1r4c h VAL 31 CO 0.02 0.19 -0.12 1.23 0.02 0.00 0.00 177.57 178.91 1r4c h GLY 32 N 0.78 0.12 1.05 2.17 0.00 -0.79 -1.38 103.07 105.02 1r4c h GLY 32 Ca 0.21 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1r4c h GLY 32 CO -0.04 -0.14 0.05 0.83 0.00 0.00 0.00 176.54 177.24 1r4c h GLU 33 N -0.07 1.01 -0.22 4.80 4.39 -0.09 -2.40 114.58 122.00 1r4c h GLU 33 Ca 0.14 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1r4c h GLU 33 Cb 0.28 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1r4c h GLU 33 CO -0.32 0.97 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.54 1r4c h TYR 34 N 0.90 -0.10 -1.00 4.33 3.20 0.05 -1.28 116.97 123.08 1r4c h TYR 34 Ca 0.17 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1r4c h TYR 34 Cb 0.49 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1r4c h TYR 34 CO 0.04 -0.08 0.65 -0.91 -1.64 0.00 0.00 178.16 176.21 1r4c h ASN 35 N 0.01 1.09 -0.42 -2.11 2.35 -1.04 -1.47 115.58 113.99 1r4c h ASN 35 Ca 0.11 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1r4c h ASN 35 Cb 0.16 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1r4c h ASN 35 CO -0.22 0.74 -0.14 0.11 -1.65 0.00 0.00 177.43 176.28 1r4c h LYS 36 N 1.26 0.83 0.00 0.81 1.57 -1.05 -3.21 116.57 116.78 1r4c h LYS 36 Ca 0.40 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1r4c h LYS 36 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1r4c h LYS 36 CO -0.12 0.96 -0.52 0.00 -0.57 0.00 0.00 179.45 179.20 1r4c h ALA 37 N 0.84 0.72 -2.18 3.86 0.00 -0.92 -3.45 119.26 118.13 1r4c h ALA 37 Ca 0.10 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 54.08 1r4c h ALA 37 Cb 0.68 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1r4c h ALA 37 CO 0.05 0.65 0.36 -1.54 0.00 0.00 0.00 179.25 178.77 1r4c s SER 38 N -6.47 6.61 -0.12 0.00 1.04 -0.58 -4.95 113.70 109.23 1r4c s SER 38 Ca 0.03 1.69 0.17 0.00 0.48 0.00 0.00 55.95 58.31 1r4c s SER 38 Cb 0.09 -2.53 0.70 0.00 0.10 0.00 0.00 66.02 64.38 1r4c s SER 38 CO 0.74 -0.59 1.60 0.59 0.98 0.00 0.00 173.24 176.55 1r4c n ASN 39 N -1.20 4.65 -4.77 7.02 3.02 -1.26 -4.94 115.26 117.78 1r4c n ASN 39 Ca 0.07 -2.47 -0.39 0.00 -0.03 0.00 0.00 54.58 51.77 1r4c n ASN 39 Cb 0.54 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1r4c n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r4c s ASP 40 N -0.86 6.77 0.15 6.41 3.68 -1.26 -4.93 116.67 126.63 1r4c s ASP 40 Ca 0.49 2.30 0.26 0.00 2.13 0.00 0.00 52.55 57.73 1r4c s ASP 40 Cb 0.32 -2.61 0.94 0.00 -1.45 0.00 0.00 42.92 40.11 1r4c s ASP 40 CO 0.23 -0.50 1.79 1.15 0.13 0.00 0.00 175.17 177.97 1r4c n MET 41 N 0.38 0.17 -3.88 4.34 0.00 -1.26 -4.83 117.12 112.04 1r4c n MET 41 Ca 0.03 0.18 -0.32 0.00 0.00 0.00 0.00 57.70 57.59 1r4c n MET 41 Cb 0.46 -1.71 -0.04 0.00 0.00 0.00 0.00 33.22 31.92 1r4c n MET 41 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1r4c s TYR 42 N -3.09 3.54 0.16 3.17 2.02 -1.26 -5.07 117.35 116.81 1r4c s TYR 42 Ca 0.11 0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.85 1r4c s TYR 42 Cb 0.14 -1.83 -0.07 0.00 -0.40 0.00 0.00 41.96 39.80 1r4c s TYR 42 CO 0.53 0.61 1.14 -1.58 -1.57 0.00 0.00 175.55 174.68 1r4c s HIS 43 N -1.42 3.53 0.08 2.71 5.65 -1.26 -5.05 115.29 119.53 1r4c s HIS 43 Ca 0.31 1.51 0.04 0.00 0.25 0.00 0.00 55.06 57.18 1r4c s HIS 43 Cb -0.13 -3.33 -0.04 0.00 -1.18 0.00 0.00 32.58 27.90 1r4c s HIS 43 CO 0.23 -0.85 0.02 -1.12 -0.65 0.00 0.00 174.74 172.36 1r4c s SER 44 N 0.14 5.14 0.14 9.88 0.01 -1.26 -5.14 113.70 122.61 1r4c s SER 44 Ca 0.52 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.71 1r4c s SER 44 Cb -0.30 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.61 1r4c s SER 44 CO 0.34 0.19 -0.12 -0.13 0.41 0.00 0.00 173.24 173.93 1r4c s ARG 45 N -2.23 1.05 0.09 12.44 0.52 -1.26 -4.93 118.95 124.63 1r4c s ARG 45 Ca 0.26 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 53.80 1r4c s ARG 45 Cb -0.12 -0.75 -0.07 0.00 0.52 0.00 0.00 34.95 34.53 1r4c s ARG 45 CO 0.18 0.12 1.35 0.00 0.02 0.00 0.00 175.30 176.97 1r4c s ALA 46 N -2.81 3.55 -0.02 2.13 0.00 -1.26 -4.93 121.76 118.41 1r4c s ALA 46 Ca 0.13 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 1r4c s ALA 46 Cb -0.01 -3.52 -0.33 0.00 0.00 0.00 0.00 23.12 19.26 1r4c s ALA 46 CO 0.02 -0.60 0.84 -0.07 0.00 0.00 0.00 175.76 175.95 1r4c h LEU 47 N 6.95 0.66 -7.00 0.00 3.38 -2.06 -3.49 115.31 113.74 1r4c h LEU 47 Ca -0.42 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 56.72 1r4c h LEU 47 Cb 1.21 -0.21 -0.20 0.00 0.09 0.00 0.00 40.66 41.54 1r4c h LEU 47 CO 0.86 1.65 0.52 0.00 0.09 0.00 0.00 178.44 181.56 1r4c s GLN 48 N -2.54 0.67 -0.41 1.13 -2.07 -1.26 -5.12 119.66 110.07 1r4c s GLN 48 Ca -0.13 0.01 -0.23 0.00 -1.82 0.00 0.00 55.36 53.20 1r4c s GLN 48 Cb 0.04 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1r4c s GLN 48 CO 0.88 -0.24 0.76 0.08 -1.32 0.00 0.00 175.29 175.44 1r4c s VAL 49 N -1.75 4.72 -0.01 3.63 1.01 -1.26 -4.92 120.40 121.82 1r4c s VAL 49 Ca 0.00 0.59 0.12 0.00 0.00 0.00 0.00 61.98 62.70 1r4c s VAL 49 Cb -0.01 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1r4c s VAL 49 CO -0.01 -0.55 1.41 -0.37 0.00 0.00 0.00 175.10 175.58 1r4c h VAL 50 N 5.85 1.20 -1.80 2.92 -1.51 -2.06 -3.46 116.25 117.39 1r4c h VAL 50 Ca -0.25 -2.61 0.01 0.00 -1.23 0.00 0.00 66.70 62.62 1r4c h VAL 50 Cb 1.09 2.53 -0.23 0.00 -2.13 0.00 0.00 31.29 32.55 1r4c h VAL 50 CO 0.92 0.67 0.29 -0.60 -1.23 0.00 0.00 177.57 177.62 1r4c s ARG 51 N -2.94 0.68 -0.03 5.19 3.52 -1.26 -5.16 118.95 118.95 1r4c s ARG 51 Ca 0.02 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 1r4c s ARG 51 Cb 0.09 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 1r4c s ARG 51 CO 0.77 -0.09 0.00 0.00 -0.81 0.00 0.00 175.30 175.17 1r4c s ALA 52 N 0.24 0.30 0.05 6.12 0.00 -1.26 -5.13 121.76 122.08 1r4c s ALA 52 Ca 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1r4c s ALA 52 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1r4c s ALA 52 CO -0.02 -0.08 -0.00 1.03 0.00 0.00 0.00 175.76 176.69 1r4c s ARG 53 N 1.03 0.62 0.01 0.00 1.81 -1.26 -2.54 118.95 118.61 1r4c s ARG 53 Ca -0.10 -1.14 -0.07 0.00 -1.72 0.00 0.00 55.73 52.70 1r4c s ARG 53 Cb -0.13 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 1r4c s ARG 53 CO -0.02 -0.13 0.13 -1.59 -0.68 0.00 0.00 175.30 173.02 1r4c s LYS 54 N -3.75 0.50 -0.12 3.54 -2.85 0.33 -4.86 119.74 112.54 1r4c s LYS 54 Ca 0.05 -0.44 -0.11 0.00 -1.00 0.00 0.00 55.97 54.47 1r4c s LYS 54 Cb 0.06 0.21 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1r4c s LYS 54 CO -0.09 -0.12 0.32 -1.14 0.10 0.00 0.00 175.35 174.41 1r4c s GLN 55 N -1.54 0.37 0.41 1.78 0.74 -1.26 -1.66 119.66 118.49 1r4c s GLN 55 Ca -0.14 0.45 -0.23 0.00 0.05 0.00 0.00 55.36 55.49 1r4c s GLN 55 Cb -0.07 0.17 -0.09 0.00 1.10 0.00 0.00 33.01 34.12 1r4c s GLN 55 CO 0.01 -0.05 1.03 0.96 -0.55 0.00 0.00 175.29 176.68 1r4c s ILE 56 N 0.23 3.86 -0.10 -2.34 -4.36 -1.26 -5.03 121.20 112.20 1r4c s ILE 56 Ca -0.00 1.35 0.04 0.00 -0.26 0.00 0.00 60.65 61.78 1r4c s ILE 56 Cb -0.03 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.02 1r4c s ILE 56 CO -0.00 -0.06 -0.23 0.54 0.24 0.00 0.00 174.94 175.43 1r4c s VAL 57 N -1.77 2.02 -0.06 8.37 0.11 -1.26 -5.11 120.40 122.70 1r4c s VAL 57 Ca 0.59 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1r4c s VAL 57 Cb -0.19 -1.75 0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1r4c s VAL 57 CO 0.24 0.55 0.11 0.00 -3.33 0.00 0.00 175.10 172.68 1r4c s ALA 58 N 0.39 -0.03 0.00 1.54 0.00 -1.26 -5.12 121.76 117.28 1r4c s ALA 58 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1r4c s ALA 58 Cb -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1r4c s ALA 58 CO 0.08 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1r4c n GLY 59 N 5.02 1.33 2.95 0.00 0.00 -1.26 -4.79 105.19 108.43 1r4c n GLY 59 Ca -0.10 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.91 0.29 -0.14 1.61 1.01 0.27 -4.99 120.40 116.54 1r4c s VAL 60 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1r4c s VAL 60 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1r4c s VAL 60 CO 0.00 -0.01 0.03 0.20 0.00 0.00 0.00 175.10 175.31 1r4c s ASN 61 N -0.35 5.38 -0.18 3.32 0.01 -1.26 -0.08 114.94 121.79 1r4c s ASN 61 Ca -0.01 0.10 -0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1r4c s ASN 61 Cb -0.03 -1.75 -0.03 0.00 0.41 0.00 0.00 41.25 39.85 1r4c s ASN 61 CO -0.00 0.27 -0.00 -0.31 -1.51 0.00 0.00 177.10 175.54 1r4c s TYR 62 N -0.22 3.07 -0.38 2.20 1.51 0.35 -4.94 117.35 118.94 1r4c s TYR 62 Ca 0.06 -0.28 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1r4c s TYR 62 Cb -0.12 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.76 1r4c s TYR 62 CO 0.02 -0.07 0.17 -0.06 -1.11 0.00 0.00 175.55 174.50 1r4c s PHE 63 N 0.59 3.32 -0.18 2.71 0.08 -1.26 -0.58 117.98 122.67 1r4c s PHE 63 Ca -0.01 -1.55 0.01 0.00 0.12 0.00 0.00 56.93 55.50 1r4c s PHE 63 Cb -0.14 -2.63 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 1r4c s PHE 63 CO 0.02 -0.80 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.64 1r4c s LEU 64 N 1.39 2.19 -0.25 -0.37 1.43 0.17 -4.98 118.68 118.26 1r4c s LEU 64 Ca 0.01 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 1r4c s LEU 64 Cb -0.21 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1r4c s LEU 64 CO 0.02 0.01 0.30 -1.81 0.23 0.00 0.00 176.35 175.10 1r4c s ASP 65 N 1.22 6.23 -0.01 2.29 1.01 -1.26 -0.69 116.67 125.46 1r4c s ASP 65 Ca 0.03 0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.56 1r4c s ASP 65 Cb -0.14 -2.18 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 1r4c s ASP 65 CO -0.10 -0.08 -0.06 -0.69 0.21 0.00 0.00 175.17 174.45 1r4c s VAL 66 N 1.59 0.47 -0.23 -1.27 1.01 0.13 -5.00 120.40 117.09 1r4c s VAL 66 Ca 0.13 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1r4c s VAL 66 Cb -0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1r4c s VAL 66 CO 0.08 0.14 0.23 -0.70 0.00 0.00 0.00 175.10 174.86 1r4c s GLU 67 N 0.02 4.09 0.07 2.72 2.12 -1.26 -0.53 118.70 125.93 1r4c s GLU 67 Ca 0.00 -0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.23 1r4c s GLU 67 Cb -0.04 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1r4c s GLU 67 CO -0.00 0.01 0.02 -0.51 -0.54 0.00 0.00 175.26 174.24 1r4c s LEU 68 N 1.19 3.55 0.02 2.70 1.43 0.84 -4.97 118.68 123.44 1r4c s LEU 68 Ca 0.11 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1r4c s LEU 68 Cb -0.14 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1r4c s LEU 68 CO 0.06 0.20 -0.13 -0.83 0.23 0.00 0.00 176.35 175.88 1r4c s GLY 69 N -2.18 0.68 0.21 -3.19 0.00 -1.26 -1.00 107.32 100.58 1r4c s GLY 69 Ca 0.25 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1r4c s GLY 69 CO 0.18 -0.64 0.97 1.09 0.00 0.00 0.00 173.10 174.70 1r4c s ARG 70 N -0.78 4.78 0.56 2.90 1.70 -0.66 -4.97 118.95 122.47 1r4c s ARG 70 Ca 0.02 1.52 0.08 0.00 -0.47 0.00 0.00 55.73 56.88 1r4c s ARG 70 Cb -0.06 -3.30 0.06 0.00 -0.57 0.00 0.00 34.95 31.08 1r4c s ARG 70 CO 0.00 0.38 0.61 0.95 -1.08 0.00 0.00 175.30 176.16 1r4c s THR 71 N -0.80 1.93 -1.16 4.99 -4.23 -1.26 -1.27 115.64 113.84 1r4c s THR 71 Ca 0.43 -1.23 0.26 0.00 -1.18 0.00 0.00 61.69 59.98 1r4c s THR 71 Cb -0.26 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 71.55 1r4c s THR 71 CO 0.32 0.00 1.59 0.35 -0.54 0.00 0.00 174.62 176.34 1r4c n THR 72 N -2.01 0.00 -2.60 3.99 -2.24 -0.56 -4.64 114.28 106.22 1r4c n THR 72 Ca 0.07 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 1r4c n THR 72 Cb 0.63 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.96 4.80 0.44 0.00 -4.23 -1.26 -4.98 115.64 109.45 1r4c s THR 74 Ca 0.44 0.62 0.27 0.00 -1.18 0.00 0.00 61.69 61.84 1r4c s THR 74 Cb -0.29 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.14 1r4c s THR 74 CO 0.36 -0.41 2.09 0.11 -0.54 0.00 0.00 174.62 176.23 1r4c h LYS 75 N 1.57 0.00 0.00 3.99 1.57 -1.99 -3.17 116.57 118.54 1r4c h LYS 75 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1r4c h LYS 75 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1r4c h LYS 75 CO 0.65 0.11 0.00 0.25 -0.57 0.00 0.00 179.45 179.88 1r4c n THR 76 N -3.72 0.00 -5.16 -0.16 -2.24 -1.26 -4.77 114.28 96.96 1r4c n THR 76 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1r4c n THR 76 Cb 0.22 -0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 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 2.76 0.10 -0.78 -2.07 -1.20 -5.02 119.66 111.45 1r4c s GLN 77 Ca 0.10 -0.85 -0.21 0.00 -1.82 0.00 0.00 55.36 52.57 1r4c s GLN 77 Cb 0.05 -2.27 -0.05 0.00 -1.09 0.00 0.00 33.01 29.64 1r4c s GLN 77 CO 0.08 0.34 1.36 -1.35 -1.32 0.00 0.00 175.29 174.40 1r4c h PRO 78 N 6.22 -0.06 -5.13 9.60 0.11 -1.92 -3.40 132.00 137.42 1r4c h PRO 78 Ca -0.30 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 1r4c h PRO 78 Cb 1.19 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1r4c h PRO 78 CO 0.48 -0.04 0.99 -1.71 -0.21 0.00 0.00 178.00 177.52 1r4c n ASN 79 N -4.50 -0.09 -0.01 -2.05 2.85 -1.26 -4.80 115.26 105.40 1r4c n ASN 79 Ca 0.00 -1.18 -0.02 0.00 -0.11 0.00 0.00 54.58 53.27 1r4c n ASN 79 Cb 0.19 -1.06 -0.01 0.00 1.24 0.00 0.00 39.78 40.13 1r4c n ASN 79 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1r4c n LEU 80 N 11.55 2.15 -0.31 1.20 4.77 -1.26 -4.88 117.00 130.21 1r4c n LEU 80 Ca 0.50 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.67 1r4c n LEU 80 Cb 0.32 -0.10 0.36 0.00 -2.33 0.00 0.00 43.42 41.67 1r4c n LEU 80 CO 0.78 0.40 0.82 0.47 -1.33 0.00 0.00 177.39 178.53 1r4c n ASP 81 N -2.75 0.03 -4.06 -1.43 9.92 -1.26 -3.59 116.55 113.41 1r4c n ASP 81 Ca -0.05 1.57 -0.35 0.00 -0.53 0.00 0.00 54.79 55.43 1r4c n ASP 81 Cb 0.55 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 1r4c n ASP 81 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1r4c s ASN 82 N -4.86 5.02 -0.08 -2.24 3.84 -1.26 -5.06 114.94 110.30 1r4c s ASN 82 Ca -0.11 -2.71 0.01 0.00 0.21 0.00 0.00 52.86 50.26 1r4c s ASN 82 Cb 0.29 -1.79 0.02 0.00 -0.55 0.00 0.00 41.25 39.21 1r4c s ASN 82 CO 0.73 -0.37 -0.09 0.00 -2.79 0.00 0.00 177.10 174.58 1r4c s PRO 84 N 1.13 4.35 0.43 0.00 0.02 -1.26 -4.85 135.00 134.83 1r4c s PRO 84 Ca -0.06 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 62.64 1r4c s PRO 84 Cb -0.14 -2.97 -0.08 0.00 0.02 0.00 0.00 34.50 31.33 1r4c s PRO 84 CO -0.01 -0.09 1.17 -0.06 -0.33 0.00 0.00 177.00 177.68 1r4c s PHE 85 N -1.25 2.96 0.59 6.54 0.08 -1.26 -1.49 117.98 124.13 1r4c s PHE 85 Ca 0.50 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 58.89 1r4c s PHE 85 Cb -0.33 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 1r4c s PHE 85 CO 0.43 -1.42 1.30 0.72 -0.10 0.00 0.00 175.22 176.15 1r4c n HIS 86 N -0.26 2.03 -0.05 0.36 8.25 -0.39 -4.75 115.22 120.41 1r4c n HIS 86 Ca 0.06 0.43 -0.09 0.00 -0.26 0.00 0.00 57.72 57.86 1r4c n HIS 86 Cb 0.47 -2.31 -0.04 0.00 1.12 0.00 0.00 29.99 29.23 1r4c n HIS 86 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1r4c n ASP 87 N -1.29 1.88 -4.66 0.41 5.75 -1.26 -4.69 116.55 112.68 1r4c n ASP 87 Ca 0.13 0.05 -0.64 0.00 -0.01 0.00 0.00 54.79 54.31 1r4c n ASP 87 Cb 0.46 -0.24 -0.09 0.00 -1.03 0.00 0.00 41.12 40.22 1r4c n ASP 87 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r4c n GLN 88 N -3.16 0.11 -0.32 0.11 6.02 -1.26 -4.68 117.38 114.20 1r4c n GLN 88 Ca -0.19 0.04 0.19 0.00 -0.01 0.00 0.00 57.00 57.03 1r4c n GLN 88 Cb 0.66 -1.56 0.37 0.00 1.02 0.00 0.00 30.24 30.74 1r4c n GLN 88 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1r4c h PRO 89 N 4.49 0.12 -0.02 -1.09 0.11 -1.95 0.81 132.00 134.48 1r4c h PRO 89 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r4c h PRO 89 Cb 1.38 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1r4c h PRO 89 CO 0.87 0.08 -0.15 0.72 -0.21 0.00 0.00 178.00 179.31 1r4c n HIS 90 N -5.29 0.00 -0.02 0.65 8.25 -1.26 -3.74 115.22 113.82 1r4c n HIS 90 Ca 0.27 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 1r4c n HIS 90 Cb 0.86 -0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.78 1r4c n HIS 90 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r4c n LEU 91 N 0.18 0.06 -4.72 2.41 4.32 0.08 -4.95 117.00 114.37 1r4c n LEU 91 Ca 0.14 0.02 -0.43 0.00 -0.02 0.00 0.00 56.01 55.73 1r4c n LEU 91 Cb 0.43 0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.29 1r4c n LEU 91 CO 0.21 0.08 1.14 1.17 -1.22 0.00 0.00 177.39 178.77 1r4c n LYS 92 N -2.38 2.47 -3.71 3.23 4.81 -0.05 -4.92 118.16 117.61 1r4c n LYS 92 Ca -0.09 0.88 -0.12 0.00 -0.87 0.00 0.00 58.31 58.11 1r4c n LYS 92 Cb 0.68 -2.60 -0.10 0.00 0.02 0.00 0.00 35.03 33.02 1r4c n LYS 92 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1r4c s ARG 93 N -0.73 0.44 0.09 1.64 3.52 -1.26 -5.03 118.95 117.62 1r4c s ARG 93 Ca 0.63 0.69 0.05 0.00 -0.13 0.00 0.00 55.73 56.98 1r4c s ARG 93 Cb -0.54 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1r4c s ARG 93 CO 0.51 -0.11 -0.13 -1.59 -0.81 0.00 0.00 175.30 173.18 1r4c s LYS 94 N 0.85 0.87 -0.00 5.12 -2.85 -1.26 -1.65 119.74 120.82 1r4c s LYS 94 Ca -0.05 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 1r4c s LYS 94 Cb -0.06 -0.73 -0.00 0.00 -2.06 0.00 0.00 37.83 34.98 1r4c s LYS 94 CO -0.07 0.14 -0.01 0.00 0.10 0.00 0.00 175.35 175.51 1r4c s ALA 95 N -1.86 0.12 -0.28 0.59 0.00 -0.17 -2.50 121.76 117.65 1r4c s ALA 95 Ca 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 1r4c s ALA 95 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1r4c s ALA 95 CO 0.02 0.03 0.12 0.12 0.00 0.00 0.00 175.76 176.04 1r4c s PHE 96 N -0.05 3.14 0.18 0.00 5.36 0.37 -0.11 117.98 126.86 1r4c s PHE 96 Ca 0.00 -0.44 0.11 0.00 -0.96 0.00 0.00 56.93 55.64 1r4c s PHE 96 Cb -0.01 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1r4c s PHE 96 CO -0.00 -0.38 -0.22 0.00 -1.46 0.00 0.00 175.22 173.16 1r4c s SER 98 N -2.58 2.80 -0.09 0.00 0.01 0.37 -0.69 113.70 113.51 1r4c s SER 98 Ca 0.20 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1r4c s SER 98 Cb -0.08 -1.19 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 1r4c s SER 98 CO 0.10 -0.07 -0.18 -0.36 0.41 0.00 0.00 173.24 173.14 1r4c s PHE 99 N 1.47 2.66 -0.26 2.43 0.08 0.14 -1.84 117.98 122.66 1r4c s PHE 99 Ca 0.04 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 1r4c s PHE 99 Cb -0.13 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 1r4c s PHE 99 CO -0.10 -0.13 -0.04 -1.14 -0.10 0.00 0.00 175.22 173.71 1r4c s GLN 100 N -0.07 2.87 -0.20 0.44 0.74 -0.57 -0.65 119.66 122.22 1r4c s GLN 100 Ca -0.04 -0.96 -0.02 0.00 0.05 0.00 0.00 55.36 54.39 1r4c s GLN 100 Cb -0.14 -3.05 -0.00 0.00 1.10 0.00 0.00 33.01 30.91 1r4c s GLN 100 CO 0.04 -0.41 -0.09 0.42 -0.55 0.00 0.00 175.29 174.71 1r4c s ILE 101 N 1.35 3.10 -0.28 -2.34 1.09 0.26 -0.39 121.20 123.99 1r4c s ILE 101 Ca 0.00 -0.60 -0.15 0.00 -1.10 0.00 0.00 60.65 58.80 1r4c s ILE 101 Cb -0.17 -2.38 -0.03 0.00 -1.06 0.00 0.00 42.46 38.82 1r4c s ILE 101 CO -0.03 0.46 0.39 -0.47 -0.10 0.00 0.00 174.94 175.19 1r4c s TYR 102 N 1.22 3.24 0.03 3.97 5.04 -0.20 -0.50 117.35 130.16 1r4c s TYR 102 Ca 0.02 0.37 0.09 0.00 -2.44 0.00 0.00 57.07 55.11 1r4c s TYR 102 Cb -0.14 -2.61 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 1r4c s TYR 102 CO -0.03 -0.27 -0.26 0.00 -1.34 0.00 0.00 175.55 173.65 1r4c s ALA 103 N 2.10 2.26 -0.54 3.97 0.00 0.89 -1.21 121.76 129.23 1r4c s ALA 103 Ca 0.15 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1r4c s ALA 103 Cb -0.16 -0.50 0.14 0.00 0.00 0.00 0.00 23.12 22.60 1r4c s ALA 103 CO 0.10 0.54 0.30 0.08 0.00 0.00 0.00 175.76 176.78 1r4c s VAL 104 N -0.78 2.88 0.24 0.00 1.01 -0.93 -0.57 120.40 122.24 1r4c s VAL 104 Ca 0.12 -3.18 -0.06 0.00 0.00 0.00 0.00 61.98 58.86 1r4c s VAL 104 Cb -0.10 -2.96 0.20 0.00 0.00 0.00 0.00 36.38 33.51 1r4c s VAL 104 CO 0.02 -0.81 1.74 -0.65 0.00 0.00 0.00 175.10 175.40 1r4c h PRO 105 N 6.69 0.46 0.00 2.72 0.11 -1.92 -0.26 132.00 139.80 1r4c h PRO 105 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1r4c h PRO 105 Cb 0.91 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1r4c h PRO 105 CO 0.69 0.31 0.00 -2.67 -0.21 0.00 0.00 178.00 176.11 1r4c n TRP 106 N -4.97 0.76 0.62 0.65 2.14 -1.26 -0.99 117.44 114.39 1r4c n TRP 106 Ca 0.13 0.31 0.07 0.00 2.07 0.00 0.00 57.50 60.08 1r4c n TRP 106 Cb 0.36 -1.01 0.04 0.00 -0.81 0.00 0.00 31.31 29.90 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 -2.21 1.32 -1.21 -2.67 6.02 -0.26 -5.00 117.38 113.37 1r4c n GLN 107 Ca 0.01 -1.17 -0.07 0.00 -0.01 0.00 0.00 57.00 55.77 1r4c n GLN 107 Cb 0.19 -1.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 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 0.91 0.74 3.94 1.08 0.00 -0.16 -4.99 105.19 106.71 1r4c n GLY 108 Ca 0.08 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.72 5.13 -0.08 2.61 -4.23 -1.13 -4.96 115.64 111.27 1r4c s THR 109 Ca 0.00 -0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 59.91 1r4c s THR 109 Cb 0.00 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1r4c s THR 109 CO 0.00 -0.47 0.26 -0.04 -0.54 0.00 0.00 174.62 173.83 1r4c s MET 110 N -4.12 0.39 0.02 3.99 -1.94 -1.26 -2.18 119.30 114.20 1r4c s MET 110 Ca 0.39 0.21 0.02 0.00 -1.71 0.00 0.00 55.69 54.60 1r4c s MET 110 Cb -0.10 0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 1r4c s MET 110 CO 0.34 -0.07 -0.06 0.95 -0.01 0.00 0.00 175.02 176.18 1r4c s THR 111 N -0.23 0.39 -0.50 2.05 -4.23 -0.35 -4.98 115.64 107.79 1r4c s THR 111 Ca -0.03 -0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1r4c s THR 111 Cb -0.03 -0.41 0.03 0.00 1.34 0.00 0.00 72.50 73.43 1r4c s THR 111 CO 0.01 -0.16 0.98 -0.22 -0.54 0.00 0.00 174.62 174.69 1r4c s LEU 112 N -0.84 3.94 -0.05 4.79 2.96 -1.26 -1.03 118.68 127.18 1r4c s LEU 112 Ca -0.05 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1r4c s LEU 112 Cb -0.06 -3.12 -0.31 0.00 0.50 0.00 0.00 46.19 43.21 1r4c s LEU 112 CO -0.00 -1.17 0.65 0.28 -1.32 0.00 0.00 176.35 174.79 1r4c h SER 113 N 9.22 0.61 -5.06 3.68 0.02 -1.09 -3.48 113.55 117.45 1r4c h SER 113 Ca -0.25 -0.94 -0.13 0.00 -0.84 0.00 0.00 61.79 59.64 1r4c h SER 113 Cb 1.07 -0.20 -0.18 0.00 0.14 0.00 0.00 62.40 63.23 1r4c h SER 113 CO 1.07 1.80 -0.50 -0.54 -1.14 0.00 0.00 176.83 177.52 1r4c s LYS 114 N -2.58 0.59 -0.29 3.45 1.02 -1.12 -4.98 119.74 115.83 1r4c s LYS 114 Ca -0.16 -0.67 -0.07 0.00 0.02 0.00 0.00 55.97 55.08 1r4c s LYS 114 Cb 0.05 0.23 0.14 0.00 -0.52 0.00 0.00 37.83 37.74 1r4c s LYS 114 CO 0.85 -0.15 0.61 0.45 -0.92 0.00 0.00 175.35 176.19 1r4c s SER 115 N -1.98 -1.09 -0.02 2.83 0.15 -1.25 -1.51 113.70 110.83 1r4c s SER 115 Ca -0.07 1.33 0.02 0.00 0.70 0.00 0.00 55.95 57.94 1r4c s SER 115 Cb -0.02 2.16 -0.00 0.00 -1.71 0.00 0.00 66.02 66.45 1r4c s SER 115 CO -0.03 -0.23 -0.08 0.42 1.20 0.00 0.00 173.24 174.52 1r4c s THR 116 N 2.86 0.63 0.03 6.45 -4.23 -0.77 -4.98 115.64 115.64 1r4c s THR 116 Ca 0.01 -0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1r4c s THR 116 Cb -0.13 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 1r4c s THR 116 CO -0.19 0.19 -0.13 0.00 -0.54 0.00 0.00 174.62 173.95 1r4c s GLN 118 N -1.07 1.81 -0.29 0.00 0.74 0.35 -4.97 119.66 116.24 1r4c s GLN 118 Ca 0.01 -0.44 -0.28 0.00 0.05 0.00 0.00 55.36 54.70 1r4c s GLN 118 Cb -0.08 -1.52 -0.06 0.00 1.10 0.00 0.00 33.01 32.45 1r4c s GLN 118 CO 0.01 -0.00 2.27 -0.25 -0.55 0.00 0.00 175.29 176.76 1r4c n ASP 119 N 3.95 2.97 -0.93 6.67 8.00 -1.26 -0.48 116.55 135.46 1r4c n ASP 119 Ca -0.21 0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.47 1r4c n ASP 119 Cb 0.52 -1.54 0.10 0.00 -0.02 0.00 0.00 41.12 40.17 1r4c n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81