#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 0.95 3.66 -0.02 0.00 -1.26 -5.00 105.19 103.52 1r4c n GLY 12 Ca 0.00 -1.08 -0.46 0.00 0.00 0.00 0.00 46.02 44.48 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 2.98 2.06 -4.17 1.61 -0.02 -1.26 -4.81 135.00 131.39 1r4c n PRO 13 Ca 0.00 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 1r4c n PRO 13 Cb 0.00 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 30.92 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 0.67 2.53 0.33 -0.52 0.23 0.68 -4.84 119.30 118.39 1r4c s MET 14 Ca 0.77 -1.03 -0.28 0.00 -1.03 0.00 0.00 55.69 54.13 1r4c s MET 14 Cb -0.69 -2.44 -0.13 0.00 -1.53 0.00 0.00 34.83 30.04 1r4c s MET 14 CO 0.40 0.47 1.23 -0.25 -2.03 0.00 0.00 175.02 174.84 1r4c n ASP 15 N -0.12 2.46 -3.75 -1.18 9.92 -1.26 -0.68 116.55 121.93 1r4c n ASP 15 Ca -0.09 1.20 -0.13 0.00 -0.53 0.00 0.00 54.79 55.23 1r4c n ASP 15 Cb 0.55 -1.44 -0.07 0.00 -0.64 0.00 0.00 41.12 39.51 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 -1.08 0.86 0.16 2.24 0.00 -0.44 -4.73 121.76 118.77 1r4c s ALA 16 Ca 0.56 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 1r4c s ALA 16 Cb -0.60 1.27 0.04 0.00 0.00 0.00 0.00 23.12 23.83 1r4c s ALA 16 CO 0.62 -0.72 0.50 -1.54 0.00 0.00 0.00 175.76 174.62 1r4c s SER 17 N -3.19 -0.32 0.21 0.00 1.04 -1.26 -4.38 113.70 105.80 1r4c s SER 17 Ca 0.33 -0.31 0.13 0.00 0.48 0.00 0.00 55.95 56.58 1r4c s SER 17 Cb 0.02 0.55 0.73 0.00 0.10 0.00 0.00 66.02 67.42 1r4c s SER 17 CO 0.16 -0.97 1.38 1.33 0.98 0.00 0.00 173.24 176.13 1r4c n VAL 18 N -0.31 1.26 0.32 5.02 0.24 -1.26 -0.43 118.33 123.16 1r4c n VAL 18 Ca -0.14 0.66 0.14 0.00 -2.04 0.00 0.00 64.34 62.96 1r4c n VAL 18 Cb 0.63 -1.66 0.63 0.00 -1.47 0.00 0.00 33.84 31.97 1r4c n VAL 18 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1r4c h GLU 19 N 0.00 0.00 -5.73 7.34 5.08 -1.99 -3.42 114.58 115.86 1r4c h GLU 19 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1r4c h GLU 19 Cb 0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1r4c h GLU 19 CO 0.00 0.00 -0.50 -1.21 -1.00 0.00 0.00 179.01 176.30 1r4c s GLU 20 N -3.52 3.38 0.10 2.33 2.02 0.43 -5.04 118.70 118.41 1r4c s GLU 20 Ca 0.01 -0.22 -0.34 0.00 0.02 0.00 0.00 54.97 54.44 1r4c s GLU 20 Cb 0.09 -3.12 -0.14 0.00 0.10 0.00 0.00 34.13 31.06 1r4c s GLU 20 CO 0.39 0.74 1.56 1.49 0.02 0.00 0.00 175.26 179.46 1r4c h GLU 21 N 4.62 -0.74 -0.87 1.61 4.22 -1.87 -1.37 114.58 120.18 1r4c h GLU 21 Ca -0.53 0.05 0.16 0.00 0.08 0.00 0.00 59.36 59.12 1r4c h GLU 21 Cb 1.21 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 30.53 1r4c h GLU 21 CO 0.61 -0.49 0.45 0.78 -2.18 0.00 0.00 179.01 178.18 1r4c h GLY 22 N -0.77 1.45 0.85 1.92 0.00 -1.96 -1.49 103.07 103.07 1r4c h GLY 22 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1r4c h GLY 22 CO -0.26 -0.07 -0.15 -2.08 0.00 0.00 0.00 176.54 173.98 1r4c h VAL 23 N 0.61 1.31 -0.72 4.60 2.07 -1.70 -0.72 116.25 121.70 1r4c h VAL 23 Ca 0.49 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1r4c h VAL 23 Cb 0.73 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1r4c h VAL 23 CO -0.39 0.39 0.22 0.03 0.02 0.00 0.00 177.57 177.84 1r4c h ARG 24 N 0.22 1.13 -0.60 1.57 3.08 -0.87 0.11 114.38 119.02 1r4c h ARG 24 Ca 0.05 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1r4c h ARG 24 Cb 0.67 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1r4c h ARG 24 CO 0.04 0.97 0.08 0.00 -1.07 0.00 0.00 179.97 179.99 1r4c h ARG 25 N 1.07 0.99 -0.31 0.04 3.08 -1.21 -0.54 114.38 117.49 1r4c h ARG 25 Ca 0.23 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1r4c h ARG 25 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1r4c h ARG 25 CO -0.01 0.92 -0.19 0.00 -1.07 0.00 0.00 179.97 179.62 1r4c h ALA 26 N 1.15 0.45 -0.09 0.04 0.00 -0.46 -1.28 119.26 119.08 1r4c h ALA 26 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1r4c h ALA 26 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1r4c h ALA 26 CO 0.01 0.39 0.05 1.25 0.00 0.00 0.00 179.25 180.95 1r4c h LEU 27 N 0.45 0.09 -0.96 0.00 5.85 -0.50 0.88 115.31 121.11 1r4c h LEU 27 Ca 0.06 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1r4c h LEU 27 Cb 0.74 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1r4c h LEU 27 CO 0.05 0.06 0.29 0.44 -0.34 0.00 0.00 178.44 178.95 1r4c h ASP 28 N 0.11 0.95 -0.24 1.25 3.32 -1.07 0.01 116.42 120.75 1r4c h ASP 28 Ca 0.03 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1r4c h ASP 28 Cb -0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1r4c h ASP 28 CO -0.01 0.84 0.13 0.15 -1.72 0.00 0.00 179.24 178.63 1r4c h PHE 29 N 1.02 0.32 0.09 4.55 3.57 -0.97 -0.53 116.94 124.99 1r4c h PHE 29 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1r4c h PHE 29 Cb 0.18 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1r4c h PHE 29 CO 0.02 0.28 -0.04 0.00 -2.23 0.00 0.00 178.31 176.34 1r4c h ALA 30 N 1.01 -0.12 -0.66 2.41 0.00 -0.13 0.02 119.26 121.81 1r4c h ALA 30 Ca 0.08 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1r4c h ALA 30 Cb 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1r4c h ALA 30 CO -0.01 -0.52 0.35 0.28 0.00 0.00 0.00 179.25 179.34 1r4c h VAL 31 N -0.21 0.93 -0.38 0.00 2.07 -1.02 -0.47 116.25 117.17 1r4c h VAL 31 Ca -0.01 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1r4c h VAL 31 Cb 0.17 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1r4c h VAL 31 CO 0.02 0.12 0.20 1.23 0.02 0.00 0.00 177.57 179.16 1r4c h GLY 32 N 0.63 0.52 1.17 2.17 0.00 -0.72 -0.76 103.07 106.08 1r4c h GLY 32 Ca 0.30 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 1r4c h GLY 32 CO -0.21 0.11 -0.11 0.83 0.00 0.00 0.00 176.54 177.16 1r4c h GLU 33 N 0.41 0.97 -0.36 4.80 4.39 -0.55 -1.26 114.58 122.98 1r4c h GLU 33 Ca 0.16 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.53 1r4c h GLU 33 Cb 0.05 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1r4c h GLU 33 CO -0.10 1.03 0.17 -0.92 -1.16 0.00 0.00 179.01 178.03 1r4c h TYR 34 N 0.87 0.32 -0.06 4.33 3.20 -0.80 -0.41 116.97 124.42 1r4c h TYR 34 Ca 0.14 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1r4c h TYR 34 Cb 0.67 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1r4c h TYR 34 CO 0.04 0.17 -0.35 -0.91 -1.64 0.00 0.00 178.16 175.47 1r4c h ASN 35 N 0.36 0.12 -0.03 -2.11 2.35 -0.94 -2.49 115.58 112.84 1r4c h ASN 35 Ca 0.15 -0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 1r4c h ASN 35 Cb 0.06 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1r4c h ASN 35 CO -0.11 0.47 -0.48 0.50 -1.65 0.00 0.00 177.43 176.16 1r4c h LYS 36 N 0.10 0.59 0.00 0.81 3.64 -0.82 -3.21 116.57 117.68 1r4c h LYS 36 Ca 0.01 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1r4c h LYS 36 Cb 0.68 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1r4c h LYS 36 CO 0.05 0.94 -0.47 0.00 -2.27 0.00 0.00 179.45 177.70 1r4c h ALA 37 N 1.00 0.73 -2.26 5.00 0.00 -0.88 -3.47 119.26 119.38 1r4c h ALA 37 Ca 0.02 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.45 1r4c h ALA 37 Cb 1.02 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.84 1r4c h ALA 37 CO 0.09 0.00 0.37 -1.54 0.00 0.00 0.00 179.25 178.17 1r4c s SER 38 N -5.08 6.47 0.00 0.00 1.04 -0.95 -4.95 113.70 110.22 1r4c s SER 38 Ca 0.05 1.47 0.14 0.00 0.48 0.00 0.00 55.95 58.10 1r4c s SER 38 Cb 0.10 -2.48 0.44 0.00 0.10 0.00 0.00 66.02 64.18 1r4c s SER 38 CO 0.71 -0.68 1.35 0.59 0.98 0.00 0.00 173.24 176.19 1r4c n ASN 39 N -2.00 2.01 -4.74 7.02 3.02 -1.26 -4.93 115.26 114.38 1r4c n ASN 39 Ca 0.06 -1.93 -0.40 0.00 -0.03 0.00 0.00 54.58 52.27 1r4c n ASN 39 Cb 0.54 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.14 7.57 0.29 6.41 -1.08 -1.26 -4.94 116.67 122.51 1r4c s ASP 40 Ca 0.28 1.90 0.25 0.00 -0.52 0.00 0.00 52.55 54.46 1r4c s ASP 40 Cb 0.15 -2.60 0.69 0.00 -1.46 0.00 0.00 42.92 39.69 1r4c s ASP 40 CO 0.20 0.05 1.73 0.00 0.52 0.00 0.00 175.17 177.67 1r4c h MET 41 N 4.75 0.00 -6.36 4.34 -0.00 -1.99 -3.45 114.93 112.22 1r4c h MET 41 Ca -0.44 0.00 -0.55 0.00 -0.00 0.00 0.00 59.70 58.71 1r4c h MET 41 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.77 1r4c h MET 41 CO 0.70 0.00 -0.13 0.71 -0.00 0.00 0.00 176.91 178.19 1r4c s TYR 42 N -3.15 3.50 0.01 -0.10 2.02 -1.26 -5.08 117.35 113.28 1r4c s TYR 42 Ca 0.09 0.91 -0.28 0.00 -0.37 0.00 0.00 57.07 57.42 1r4c s TYR 42 Cb 0.10 -2.27 -0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1r4c s TYR 42 CO 0.61 0.35 0.89 -1.58 -1.57 0.00 0.00 175.55 174.25 1r4c s HIS 43 N -1.66 3.67 0.08 2.71 5.65 -1.26 -5.07 115.29 119.41 1r4c s HIS 43 Ca 0.43 1.60 0.00 0.00 0.25 0.00 0.00 55.06 57.33 1r4c s HIS 43 Cb -0.13 -3.01 -0.04 0.00 -1.18 0.00 0.00 32.58 28.22 1r4c s HIS 43 CO 0.20 0.08 0.23 -1.12 -0.65 0.00 0.00 174.74 173.48 1r4c s SER 44 N 0.69 6.36 0.08 9.88 0.01 -1.26 -5.12 113.70 124.34 1r4c s SER 44 Ca 0.47 0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 1r4c s SER 44 Cb -0.21 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 1r4c s SER 44 CO 0.26 0.15 0.03 0.00 0.41 0.00 0.00 173.24 174.08 1r4c s ARG 45 N -2.61 0.73 -0.05 12.44 1.70 -1.26 -4.94 118.95 124.95 1r4c s ARG 45 Ca 0.35 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 1r4c s ARG 45 Cb -0.13 0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 1r4c s ARG 45 CO 0.28 -0.17 1.47 0.00 -1.08 0.00 0.00 175.30 175.79 1r4c s ALA 46 N -3.94 3.62 -0.16 7.88 0.00 -1.26 -4.89 121.76 123.01 1r4c s ALA 46 Ca 0.11 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.68 1r4c s ALA 46 Cb 0.07 -3.66 -0.23 0.00 0.00 0.00 0.00 23.12 19.31 1r4c s ALA 46 CO -0.07 -1.14 0.42 1.25 0.00 0.00 0.00 175.76 176.22 1r4c h LEU 47 N 9.29 0.13 -7.00 0.00 5.85 -2.06 -3.49 115.31 118.03 1r4c h LEU 47 Ca -0.36 -0.72 -0.06 0.00 0.84 0.00 0.00 57.88 57.58 1r4c h LEU 47 Cb 1.16 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 41.96 1r4c h LEU 47 CO 0.94 1.46 0.19 -1.58 -0.34 0.00 0.00 178.44 179.10 1r4c s GLN 48 N -2.38 1.03 -0.42 1.25 0.74 -1.26 -5.12 119.66 113.50 1r4c s GLN 48 Ca -0.24 0.34 -0.18 0.00 0.05 0.00 0.00 55.36 55.33 1r4c s GLN 48 Cb 0.04 0.49 0.02 0.00 1.10 0.00 0.00 33.01 34.66 1r4c s GLN 48 CO 0.67 -0.30 0.47 0.08 -0.55 0.00 0.00 175.29 175.65 1r4c s VAL 49 N -1.02 5.05 -0.20 1.34 1.01 -1.26 -4.94 120.40 120.38 1r4c s VAL 49 Ca -0.10 -0.28 0.19 0.00 0.00 0.00 0.00 61.98 61.79 1r4c s VAL 49 Cb -0.01 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.48 1r4c s VAL 49 CO 0.09 -0.45 1.55 -0.37 0.00 0.00 0.00 175.10 175.92 1r4c h VAL 50 N 5.75 0.55 -1.73 2.92 -1.51 -2.04 -3.46 116.25 116.74 1r4c h VAL 50 Ca -0.26 -1.69 0.03 0.00 -1.23 0.00 0.00 66.70 63.55 1r4c h VAL 50 Cb 1.11 2.20 -0.24 0.00 -2.13 0.00 0.00 31.29 32.22 1r4c h VAL 50 CO 0.81 0.30 0.35 -0.60 -1.23 0.00 0.00 177.57 177.21 1r4c s ARG 51 N -3.14 0.63 -0.08 5.19 6.06 -1.26 -5.17 118.95 121.18 1r4c s ARG 51 Ca 0.04 0.69 -0.06 0.00 -2.50 0.00 0.00 55.73 53.90 1r4c s ARG 51 Cb 0.07 0.31 0.03 0.00 0.06 0.00 0.00 34.95 35.41 1r4c s ARG 51 CO 0.71 -0.09 0.20 0.00 -2.50 0.00 0.00 175.30 173.62 1r4c s ALA 52 N 0.17 -0.48 0.04 6.12 0.00 -1.26 -5.10 121.76 121.25 1r4c s ALA 52 Ca 0.02 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 1r4c s ALA 52 Cb -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1r4c s ALA 52 CO -0.03 -0.12 0.18 1.03 0.00 0.00 0.00 175.76 176.82 1r4c s ARG 53 N 0.46 0.70 -0.00 0.00 0.52 -1.26 -1.33 118.95 118.04 1r4c s ARG 53 Ca -0.03 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.46 1r4c s ARG 53 Cb -0.04 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.71 1r4c s ARG 53 CO -0.02 -0.20 0.08 -1.59 0.02 0.00 0.00 175.30 173.59 1r4c s LYS 54 N -2.69 0.36 -0.17 3.54 -2.85 0.14 -4.84 119.74 113.23 1r4c s LYS 54 Ca -0.04 -0.35 -0.08 0.00 -1.00 0.00 0.00 55.97 54.50 1r4c s LYS 54 Cb -0.00 0.15 0.07 0.00 -2.06 0.00 0.00 37.83 35.98 1r4c s LYS 54 CO -0.05 -0.08 0.39 -1.14 0.10 0.00 0.00 175.35 174.58 1r4c s GLN 55 N -1.12 0.34 0.02 1.78 0.74 -1.26 -0.23 119.66 119.93 1r4c s GLN 55 Ca -0.12 0.85 -0.30 0.00 0.05 0.00 0.00 55.36 55.84 1r4c s GLN 55 Cb -0.07 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 1r4c s GLN 55 CO 0.01 -0.20 1.08 0.42 -0.55 0.00 0.00 175.29 176.05 1r4c s ILE 56 N 1.87 4.48 0.15 -2.34 1.01 -1.26 -5.03 121.20 120.07 1r4c s ILE 56 Ca -0.06 1.78 0.06 0.00 0.00 0.00 0.00 60.65 62.42 1r4c s ILE 56 Cb -0.10 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1r4c s ILE 56 CO -0.12 0.13 -0.13 0.68 0.00 0.00 0.00 174.94 175.50 1r4c s VAL 57 N 1.08 1.35 0.04 2.92 -7.23 -1.26 -3.98 120.40 113.33 1r4c s VAL 57 Ca 0.55 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1r4c s VAL 57 Cb -0.25 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1r4c s VAL 57 CO 0.28 -0.57 -0.06 0.00 -0.31 0.00 0.00 175.10 174.44 1r4c s ALA 58 N -2.72 0.48 0.36 1.32 0.00 -1.26 -5.15 121.76 114.79 1r4c s ALA 58 Ca 0.14 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1r4c s ALA 58 Cb -0.01 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1r4c s ALA 58 CO 0.03 -0.11 0.65 0.20 0.00 0.00 0.00 175.76 176.52 1r4c s GLY 59 N -1.81 0.82 -0.14 0.00 0.00 -1.26 -4.81 107.32 100.12 1r4c s GLY 59 Ca -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1r4c s GLY 59 CO -0.01 -0.60 -0.12 0.14 0.00 0.00 0.00 173.10 172.51 1r4c s VAL 60 N -2.74 1.44 -0.06 1.40 1.01 0.46 -4.96 120.40 116.95 1r4c s VAL 60 Ca 0.22 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1r4c s VAL 60 Cb -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1r4c s VAL 60 CO 0.15 0.41 0.69 0.20 0.00 0.00 0.00 175.10 176.55 1r4c s ASN 61 N 1.54 6.99 -0.19 3.32 0.01 -1.26 -0.58 114.94 124.77 1r4c s ASN 61 Ca 0.04 1.19 -0.03 0.00 -0.71 0.00 0.00 52.86 53.35 1r4c s ASN 61 Cb -0.13 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 1r4c s ASN 61 CO -0.10 -0.09 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.04 1r4c s TYR 62 N 0.69 2.97 -0.37 2.20 2.02 0.32 -4.96 117.35 120.22 1r4c s TYR 62 Ca 0.37 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1r4c s TYR 62 Cb -0.18 -2.03 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 1r4c s TYR 62 CO 0.18 -0.30 0.18 -0.06 -1.57 0.00 0.00 175.55 173.97 1r4c s PHE 63 N 0.93 3.28 -0.14 2.71 0.08 -1.26 -0.96 117.98 122.62 1r4c s PHE 63 Ca -0.00 -1.34 0.01 0.00 0.12 0.00 0.00 56.93 55.72 1r4c s PHE 63 Cb -0.15 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1r4c s PHE 63 CO 0.01 -0.74 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.70 1r4c s LEU 64 N 1.45 2.35 -0.24 -0.37 1.43 0.54 -4.99 118.68 118.85 1r4c s LEU 64 Ca 0.01 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1r4c s LEU 64 Cb -0.20 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1r4c s LEU 64 CO 0.04 0.10 0.04 -1.81 0.23 0.00 0.00 176.35 174.94 1r4c s ASP 65 N 0.73 4.88 -0.02 2.29 1.01 -1.26 -0.34 116.67 123.97 1r4c s ASP 65 Ca -0.08 -0.26 -0.00 0.00 0.71 0.00 0.00 52.55 52.92 1r4c s ASP 65 Cb -0.16 -1.87 0.02 0.00 1.01 0.00 0.00 42.92 41.93 1r4c s ASP 65 CO 0.01 -0.03 0.03 -0.69 0.21 0.00 0.00 175.17 174.70 1r4c s VAL 66 N 1.55 -0.04 -0.11 -1.27 1.01 0.93 -4.98 120.40 117.48 1r4c s VAL 66 Ca 0.06 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1r4c s VAL 66 Cb -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1r4c s VAL 66 CO 0.02 0.06 0.68 -0.70 0.00 0.00 0.00 175.10 175.16 1r4c s GLU 67 N 0.70 4.36 0.01 2.72 2.12 -1.26 0.16 118.70 127.51 1r4c s GLU 67 Ca -0.06 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.08 1r4c s GLU 67 Cb -0.08 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1r4c s GLU 67 CO -0.02 -0.05 0.05 -0.51 -0.54 0.00 0.00 175.26 174.19 1r4c s LEU 68 N 1.21 3.72 0.08 2.70 1.43 0.18 -4.96 118.68 123.04 1r4c s LEU 68 Ca 0.35 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1r4c s LEU 68 Cb -0.17 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 1r4c s LEU 68 CO 0.15 0.26 -0.23 -0.83 0.23 0.00 0.00 176.35 175.93 1r4c s GLY 69 N -1.76 1.30 -0.06 -3.19 0.00 -1.26 -0.97 107.32 101.37 1r4c s GLY 69 Ca 0.22 -1.23 -0.27 0.00 0.00 0.00 0.00 44.72 43.44 1r4c s GLY 69 CO 0.14 -1.18 0.88 -1.60 0.00 0.00 0.00 173.10 171.34 1r4c s ARG 70 N -1.56 4.46 0.42 2.90 3.52 -0.33 -5.00 118.95 123.36 1r4c s ARG 70 Ca 0.09 1.20 0.04 0.00 -0.13 0.00 0.00 55.73 56.93 1r4c s ARG 70 Cb -0.10 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1r4c s ARG 70 CO 0.03 -0.10 0.59 0.95 -0.81 0.00 0.00 175.30 175.96 1r4c s THR 71 N 1.29 3.62 -1.74 4.11 -4.23 -1.26 -1.24 115.64 116.18 1r4c s THR 71 Ca 0.45 -0.81 0.30 0.00 -1.18 0.00 0.00 61.69 60.45 1r4c s THR 71 Cb -0.19 -3.28 0.62 0.00 1.34 0.00 0.00 72.50 70.99 1r4c s THR 71 CO 0.21 -0.15 2.02 0.35 -0.54 0.00 0.00 174.62 176.51 1r4c n THR 72 N -1.91 0.00 -3.33 3.99 -2.24 -0.31 -4.65 114.28 105.84 1r4c n THR 72 Ca 0.03 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 1r4c n THR 72 Cb 0.58 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.80 4.26 -0.08 0.00 -4.23 -1.26 -4.94 115.64 108.59 1r4c s THR 74 Ca 0.28 0.67 0.28 0.00 -1.18 0.00 0.00 61.69 61.74 1r4c s THR 74 Cb -0.18 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.23 1r4c s THR 74 CO 0.16 -0.93 1.85 0.11 -0.54 0.00 0.00 174.62 175.28 1r4c h LYS 75 N -0.40 0.00 -0.35 3.99 1.57 -1.99 -2.83 116.57 116.56 1r4c h LYS 75 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1r4c h LYS 75 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1r4c h LYS 75 CO 0.63 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 1r4c n THR 76 N -2.52 0.43 -4.24 -0.16 -2.24 -1.26 -4.93 114.28 99.36 1r4c n THR 76 Ca -0.00 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1r4c n THR 76 Cb 0.14 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.66 1.02 1.16 -0.78 -2.07 -1.07 -5.15 119.66 111.12 1r4c s GLN 77 Ca 0.17 -1.29 -0.13 0.00 -1.82 0.00 0.00 55.36 52.29 1r4c s GLN 77 Cb 0.10 -0.79 0.28 0.00 -1.09 0.00 0.00 33.01 31.51 1r4c s GLN 77 CO 0.10 0.14 1.03 -2.14 -1.32 0.00 0.00 175.29 173.10 1r4c s PRO 78 N -2.98 -0.92 -1.37 9.60 0.02 -1.26 -4.53 135.00 133.55 1r4c s PRO 78 Ca 0.11 0.84 -0.02 0.00 0.02 0.00 0.00 61.00 61.95 1r4c s PRO 78 Cb -0.03 -1.55 0.02 0.00 0.02 0.00 0.00 34.50 32.96 1r4c s PRO 78 CO 0.02 -3.72 0.66 0.09 -0.33 0.00 0.00 177.00 173.72 1r4c n ASN 79 N -4.92 -1.45 0.17 2.53 5.03 -1.26 -4.92 115.26 110.45 1r4c n ASN 79 Ca 0.03 -0.87 0.05 0.00 0.87 0.00 0.00 54.58 54.66 1r4c n ASN 79 Cb 0.54 -3.72 0.23 0.00 -1.02 0.00 0.00 39.78 35.80 1r4c n ASN 79 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1r4c h LEU 80 N -1.88 0.00 -1.39 3.41 3.38 -1.98 -3.19 115.31 113.66 1r4c h LEU 80 Ca -0.61 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.30 1r4c h LEU 80 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1r4c h LEU 80 CO 0.60 0.41 -0.26 0.44 0.09 0.00 0.00 178.44 179.72 1r4c h ASP 81 N 0.00 0.00 -0.06 -0.43 3.32 -1.97 -2.85 116.42 114.43 1r4c h ASP 81 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r4c h ASP 81 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1r4c h ASP 81 CO 0.05 0.26 0.00 -0.46 -1.72 0.00 0.00 179.24 177.37 1r4c n ASN 82 N -3.69 2.49 -4.75 6.45 6.94 -1.24 -5.05 115.26 116.40 1r4c n ASN 82 Ca -0.01 -2.69 -0.41 0.00 -0.02 0.00 0.00 54.58 51.45 1r4c n ASN 82 Cb 0.37 -0.31 -0.02 0.00 -2.36 0.00 0.00 39.78 37.47 1r4c n ASN 82 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r4c n PRO 84 N 1.98 1.12 -2.98 0.00 -0.02 -1.26 -4.79 135.00 129.05 1r4c n PRO 84 Ca 0.07 0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 61.62 1r4c n PRO 84 Cb 0.39 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 1r4c n PRO 84 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1r4c s PHE 85 N -1.41 3.63 0.36 6.00 0.08 -1.26 -1.16 117.98 124.23 1r4c s PHE 85 Ca 0.79 1.52 -0.27 0.00 0.12 0.00 0.00 56.93 59.10 1r4c s PHE 85 Cb -0.40 -2.73 -0.12 0.00 -0.57 0.00 0.00 43.02 39.21 1r4c s PHE 85 CO 0.43 0.26 1.28 0.72 -0.10 0.00 0.00 175.22 177.81 1r4c n HIS 86 N 0.53 2.23 -0.10 0.36 8.25 -0.37 -4.73 115.22 121.38 1r4c n HIS 86 Ca -0.00 0.54 -0.14 0.00 -0.26 0.00 0.00 57.72 57.86 1r4c n HIS 86 Cb 0.51 -2.40 -0.09 0.00 1.12 0.00 0.00 29.99 29.12 1r4c n HIS 86 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1r4c n ASP 87 N 0.62 2.40 -4.77 0.41 2.03 -1.26 -4.65 116.55 111.34 1r4c n ASP 87 Ca 0.05 -0.10 -0.40 0.00 0.52 0.00 0.00 54.79 54.86 1r4c n ASP 87 Cb 0.37 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 1r4c n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1r4c s GLN 88 N -2.40 4.27 0.22 -0.67 -1.52 -1.26 -4.84 119.66 113.46 1r4c s GLN 88 Ca -0.26 2.10 -0.19 0.00 -1.95 0.00 0.00 55.36 55.06 1r4c s GLN 88 Cb 0.07 -2.96 0.21 0.00 -0.22 0.00 0.00 33.01 30.10 1r4c s GLN 88 CO 0.47 -0.22 1.54 -2.30 -0.25 0.00 0.00 175.29 174.52 1r4c n PRO 89 N 0.60 -0.25 0.00 2.91 -0.02 -1.26 -1.61 135.00 135.37 1r4c n PRO 89 Ca 0.01 1.52 0.12 0.00 -2.02 0.00 0.00 63.50 63.14 1r4c n PRO 89 Cb 0.43 -2.26 0.30 0.00 -0.02 0.00 0.00 33.50 31.95 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 -5.44 0.00 0.01 6.00 8.25 -1.26 -3.95 115.22 118.84 1r4c n HIS 90 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.58 1r4c n HIS 90 Cb 0.38 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.97 0.55 -4.71 2.41 4.32 -0.63 -4.91 117.00 113.06 1r4c n LEU 91 Ca 0.09 0.24 -0.42 0.00 -0.02 0.00 0.00 56.01 55.90 1r4c n LEU 91 Cb 0.35 0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 42.22 1r4c n LEU 91 CO 0.30 0.12 1.26 -0.75 -1.22 0.00 0.00 177.39 177.10 1r4c s LYS 92 N -3.04 4.21 -0.04 3.23 2.20 -0.67 -4.88 119.74 120.75 1r4c s LYS 92 Ca -0.05 2.36 -0.01 0.00 -0.36 0.00 0.00 55.97 57.91 1r4c s LYS 92 Cb 0.09 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1r4c s LYS 92 CO 0.83 -0.64 0.08 1.03 -0.36 0.00 0.00 175.35 176.29 1r4c s ARG 93 N 1.50 0.02 0.09 4.03 0.52 -1.26 -5.03 118.95 118.82 1r4c s ARG 93 Ca 0.71 0.24 0.06 0.00 -0.52 0.00 0.00 55.73 56.22 1r4c s ARG 93 Cb -0.43 -0.18 -0.03 0.00 0.52 0.00 0.00 34.95 34.82 1r4c s ARG 93 CO 0.32 -0.15 -0.16 0.15 0.02 0.00 0.00 175.30 175.48 1r4c s LYS 94 N 0.97 0.92 -0.08 3.54 1.02 -1.26 -1.19 119.74 123.65 1r4c s LYS 94 Ca -0.08 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 1r4c s LYS 94 Cb -0.11 -0.96 0.03 0.00 -0.52 0.00 0.00 37.83 36.27 1r4c s LYS 94 CO -0.04 0.21 0.31 0.00 -0.92 0.00 0.00 175.35 174.91 1r4c s ALA 95 N -1.38 -0.77 -0.28 5.17 0.00 -0.15 -2.49 121.76 121.88 1r4c s ALA 95 Ca 0.01 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1r4c s ALA 95 Cb -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1r4c s ALA 95 CO 0.03 -0.19 0.18 -0.06 0.00 0.00 0.00 175.76 175.72 1r4c s PHE 96 N -0.33 3.21 0.15 0.00 0.08 0.76 0.52 117.98 122.37 1r4c s PHE 96 Ca -0.05 0.08 0.11 0.00 0.12 0.00 0.00 56.93 57.19 1r4c s PHE 96 Cb -0.03 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1r4c s PHE 96 CO 0.02 -0.16 -0.24 0.00 -0.10 0.00 0.00 175.22 174.73 1r4c s SER 98 N -2.32 3.13 -0.05 0.00 0.01 -0.31 -0.05 113.70 114.10 1r4c s SER 98 Ca 0.16 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.75 1r4c s SER 98 Cb -0.09 -1.22 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 1r4c s SER 98 CO 0.07 -0.11 -0.25 -0.36 0.41 0.00 0.00 173.24 173.00 1r4c s PHE 99 N 1.42 2.42 -0.24 2.43 0.08 0.54 -2.33 117.98 122.30 1r4c s PHE 99 Ca 0.01 -0.64 -0.02 0.00 0.12 0.00 0.00 56.93 56.41 1r4c s PHE 99 Cb -0.15 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1r4c s PHE 99 CO -0.09 -0.16 -0.06 -1.14 -0.10 0.00 0.00 175.22 173.66 1r4c s GLN 100 N -0.29 2.92 -0.19 0.44 0.74 -0.10 -0.34 119.66 122.84 1r4c s GLN 100 Ca 0.00 -0.92 -0.04 0.00 0.05 0.00 0.00 55.36 54.45 1r4c s GLN 100 Cb -0.13 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 1r4c s GLN 100 CO 0.02 -0.36 -0.03 0.42 -0.55 0.00 0.00 175.29 174.79 1r4c s ILE 101 N 1.35 3.67 -0.40 -2.34 1.09 -0.14 -0.46 121.20 123.98 1r4c s ILE 101 Ca 0.01 -0.41 -0.16 0.00 -1.10 0.00 0.00 60.65 58.99 1r4c s ILE 101 Cb -0.16 -2.65 0.01 0.00 -1.06 0.00 0.00 42.46 38.61 1r4c s ILE 101 CO -0.05 0.45 0.36 -0.47 -0.10 0.00 0.00 174.94 175.12 1r4c s TYR 102 N 0.99 3.21 -0.13 3.97 5.04 0.21 -0.52 117.35 130.11 1r4c s TYR 102 Ca 0.01 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.18 1r4c s TYR 102 Cb -0.15 -2.71 -0.04 0.00 0.35 0.00 0.00 41.96 39.42 1r4c s TYR 102 CO 0.01 -0.59 0.07 0.00 -1.34 0.00 0.00 175.55 173.70 1r4c s ALA 103 N 1.90 3.53 -0.51 3.97 0.00 0.25 -1.20 121.76 129.72 1r4c s ALA 103 Ca 0.09 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1r4c s ALA 103 Cb -0.18 -1.79 0.13 0.00 0.00 0.00 0.00 23.12 21.28 1r4c s ALA 103 CO 0.12 0.47 0.26 0.08 0.00 0.00 0.00 175.76 176.69 1r4c s VAL 104 N -0.53 2.28 0.46 0.00 1.01 -0.70 -0.40 120.40 122.51 1r4c s VAL 104 Ca 0.11 -3.16 0.13 0.00 0.00 0.00 0.00 61.98 59.05 1r4c s VAL 104 Cb -0.12 -2.58 0.30 0.00 0.00 0.00 0.00 36.38 33.98 1r4c s VAL 104 CO 0.02 -0.84 2.06 -0.65 0.00 0.00 0.00 175.10 175.69 1r4c h PRO 105 N 6.50 0.31 -0.46 2.72 0.11 -1.90 -0.97 132.00 138.32 1r4c h PRO 105 Ca -0.05 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.08 1r4c h PRO 105 Cb 0.89 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1r4c h PRO 105 CO 0.64 0.20 0.31 -1.49 -0.21 0.00 0.00 178.00 177.45 1r4c h TRP 106 N 0.32 0.47 -0.28 0.65 6.55 -1.93 -2.74 115.95 118.99 1r4c h TRP 106 Ca 0.16 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.01 1r4c h TRP 106 Cb 0.22 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.36 1r4c h TRP 106 CO -0.00 0.27 0.00 1.04 -1.05 0.00 0.00 178.44 178.70 1r4c n GLN 107 N -4.48 2.11 -1.48 0.49 6.02 -0.48 -4.99 117.38 114.58 1r4c n GLN 107 Ca 0.05 -1.88 -0.16 0.00 -0.01 0.00 0.00 57.00 55.00 1r4c n GLN 107 Cb 0.17 -1.32 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 0.82 1.63 3.78 1.08 0.00 -0.55 -5.00 105.19 106.96 1r4c n GLY 108 Ca 0.12 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.57 3.23 0.00 2.61 -4.23 -1.14 -5.00 115.64 108.54 1r4c s THR 109 Ca 0.00 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1r4c s THR 109 Cb 0.00 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1r4c s THR 109 CO 0.00 -0.18 0.02 -0.04 -0.54 0.00 0.00 174.62 173.88 1r4c s MET 110 N -3.91 0.18 -0.02 3.99 -1.94 -1.26 -1.71 119.30 114.63 1r4c s MET 110 Ca 0.39 -0.25 0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1r4c s MET 110 Cb -0.04 0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.88 1r4c s MET 110 CO 0.24 -0.03 -0.06 0.99 -0.01 0.00 0.00 175.02 176.15 1r4c s THR 111 N -0.68 0.53 -0.59 2.05 2.01 -0.34 -4.97 115.64 113.65 1r4c s THR 111 Ca -0.07 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.47 1r4c s THR 111 Cb -0.05 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1r4c s THR 111 CO -0.00 0.18 1.00 -0.22 -0.69 0.00 0.00 174.62 174.89 1r4c s LEU 112 N 0.31 4.00 0.07 4.42 2.96 -1.26 -0.62 118.68 128.55 1r4c s LEU 112 Ca -0.04 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1r4c s LEU 112 Cb -0.08 -2.77 -0.28 0.00 0.50 0.00 0.00 46.19 43.56 1r4c s LEU 112 CO -0.00 -1.35 1.13 0.28 -1.32 0.00 0.00 176.35 175.09 1r4c h SER 113 N 9.44 0.53 -4.26 3.68 0.02 -1.13 -3.47 113.55 118.36 1r4c h SER 113 Ca -0.27 -0.55 -0.15 0.00 -0.84 0.00 0.00 61.79 59.99 1r4c h SER 113 Cb 1.07 -0.17 -0.23 0.00 0.14 0.00 0.00 62.40 63.20 1r4c h SER 113 CO 1.13 1.42 -0.38 -0.54 -1.14 0.00 0.00 176.83 177.32 1r4c s LYS 114 N -2.72 0.43 -0.24 3.45 1.02 -1.15 -4.99 119.74 115.54 1r4c s LYS 114 Ca -0.05 0.14 -0.08 0.00 0.02 0.00 0.00 55.97 55.99 1r4c s LYS 114 Cb 0.07 0.20 0.11 0.00 -0.52 0.00 0.00 37.83 37.68 1r4c s LYS 114 CO 0.90 -0.08 0.52 0.45 -0.92 0.00 0.00 175.35 176.22 1r4c s SER 115 N -0.41 -0.66 0.03 2.83 0.15 -1.25 -0.92 113.70 113.47 1r4c s SER 115 Ca -0.05 1.26 0.01 0.00 0.70 0.00 0.00 55.95 57.87 1r4c s SER 115 Cb -0.04 1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 66.03 1r4c s SER 115 CO 0.01 -0.23 -0.05 0.42 1.20 0.00 0.00 173.24 174.59 1r4c s THR 116 N 2.72 0.33 0.01 6.45 -4.23 -0.98 -5.01 115.64 114.94 1r4c s THR 116 Ca -0.04 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1r4c s THR 116 Cb -0.12 -0.43 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1r4c s THR 116 CO -0.16 -0.42 -0.04 0.00 -0.54 0.00 0.00 174.62 173.46 1r4c s GLN 118 N -0.73 0.96 0.78 0.00 -2.07 0.15 -4.97 119.66 113.77 1r4c s GLN 118 Ca -0.05 -0.76 -0.14 0.00 -1.82 0.00 0.00 55.36 52.59 1r4c s GLN 118 Cb -0.05 -0.97 0.07 0.00 -1.09 0.00 0.00 33.01 30.97 1r4c s GLN 118 CO -0.00 0.24 1.21 -0.51 -1.32 0.00 0.00 175.29 174.91 1r4c s ASP 119 N -1.12 3.78 0.00 12.60 -0.00 -1.26 -0.17 116.67 130.51 1r4c s ASP 119 Ca 0.02 2.37 0.10 0.00 -0.00 0.00 0.00 52.55 55.04 1r4c s ASP 119 Cb -0.08 -2.59 0.57 0.00 -0.00 0.00 0.00 42.92 40.82 1r4c s ASP 119 CO 0.01 -2.54 1.02 0.00 -0.00 0.00 0.00 175.17 173.66