#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 -1.80 3.04 -0.02 0.00 -1.26 -5.08 105.19 100.07 1r4c n GLY 12 Ca 0.00 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.94 1.61 -0.02 -1.26 -4.56 135.00 125.82 1r4c n PRO 13 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1r4c n PRO 13 Cb 0.00 -1.32 -0.17 0.00 -0.02 0.00 0.00 33.50 31.99 1r4c n PRO 13 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1r4c s MET 14 N 7.39 2.25 0.91 -0.52 -1.94 -1.14 -4.97 119.30 121.28 1r4c s MET 14 Ca 1.17 -0.68 -0.12 0.00 -1.71 0.00 0.00 55.69 54.36 1r4c s MET 14 Cb -1.16 -1.82 0.09 0.00 2.01 0.00 0.00 34.83 33.95 1r4c s MET 14 CO 0.46 0.18 0.83 -0.25 -0.01 0.00 0.00 175.02 176.24 1r4c n ASP 15 N 3.41 -0.62 -3.71 3.03 8.00 -1.26 -1.21 116.55 124.19 1r4c n ASP 15 Ca -0.20 0.41 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 1r4c n ASP 15 Cb 0.52 -1.36 -0.09 0.00 -0.02 0.00 0.00 41.12 40.18 1r4c n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r4c s ALA 16 N -2.46 -1.05 0.35 2.24 0.00 -1.20 -4.68 121.76 114.95 1r4c s ALA 16 Ca 0.63 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 1r4c s ALA 16 Cb -0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1r4c s ALA 16 CO 0.61 -0.26 0.60 -1.54 0.00 0.00 0.00 175.76 175.18 1r4c s SER 17 N -0.75 6.36 0.00 0.00 1.04 -1.26 -4.69 113.70 114.40 1r4c s SER 17 Ca -0.08 0.67 0.25 0.00 0.48 0.00 0.00 55.95 57.27 1r4c s SER 17 Cb -0.04 -2.13 1.13 0.00 0.10 0.00 0.00 66.02 65.08 1r4c s SER 17 CO 0.04 -0.31 1.81 0.52 0.98 0.00 0.00 173.24 176.28 1r4c n VAL 18 N -1.52 0.27 0.06 5.02 0.31 -1.26 -2.44 118.33 118.77 1r4c n VAL 18 Ca -0.02 0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 1r4c n VAL 18 Cb 0.55 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.80 1r4c n VAL 18 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1r4c h GLU 19 N 0.00 0.42 -6.16 5.55 4.39 -1.98 -3.36 114.58 113.45 1r4c h GLU 19 Ca 0.00 -0.43 -0.74 0.00 0.34 0.00 0.00 59.36 58.53 1r4c h GLU 19 Cb 0.36 0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1r4c h GLU 19 CO 0.00 1.09 0.72 -1.91 -1.16 0.00 0.00 179.01 177.75 1r4c n GLU 20 N -3.77 0.99 -0.28 2.33 2.13 -1.02 -4.80 120.64 116.22 1r4c n GLU 20 Ca -0.06 0.36 0.08 0.00 0.66 0.00 0.00 57.16 58.20 1r4c n GLU 20 Cb 0.81 -2.01 0.23 0.00 0.27 0.00 0.00 31.44 30.74 1r4c n GLU 20 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1r4c h GLU 21 N 6.11 0.43 -0.69 5.31 4.81 -1.89 -1.49 114.58 127.17 1r4c h GLU 21 Ca -0.47 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1r4c h GLU 21 Cb 1.33 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1r4c h GLU 21 CO 0.90 0.28 0.44 0.78 -0.73 0.00 0.00 179.01 180.68 1r4c h GLY 22 N 0.44 0.99 0.91 1.92 0.00 -1.94 0.01 103.07 105.40 1r4c h GLY 22 Ca 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1r4c h GLY 22 CO -0.45 0.29 0.11 -2.08 0.00 0.00 0.00 176.54 174.42 1r4c h VAL 23 N 0.86 1.17 -0.50 4.60 2.07 -1.55 0.79 116.25 123.69 1r4c h VAL 23 Ca 0.27 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1r4c h VAL 23 Cb -0.01 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1r4c h VAL 23 CO -0.10 0.17 0.00 -0.09 0.02 0.00 0.00 177.57 177.58 1r4c h ARG 24 N 0.29 0.83 -0.55 1.57 9.65 -0.94 0.27 114.38 125.50 1r4c h ARG 24 Ca 0.09 -0.23 -0.11 0.00 -1.10 0.00 0.00 59.98 58.63 1r4c h ARG 24 Cb 0.17 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1r4c h ARG 24 CO -0.01 0.83 -0.10 0.00 2.80 0.00 0.00 179.97 183.49 1r4c h ARG 25 N 0.77 1.03 -0.53 0.20 3.08 -0.83 0.34 114.38 118.44 1r4c h ARG 25 Ca 0.15 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1r4c h ARG 25 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1r4c h ARG 25 CO 0.02 1.07 0.30 0.00 -1.07 0.00 0.00 179.97 180.29 1r4c h ALA 26 N 0.93 0.68 0.15 0.04 0.00 -0.25 -1.17 119.26 119.64 1r4c h ALA 26 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1r4c h ALA 26 Cb 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r4c h ALA 26 CO 0.05 0.19 -0.07 1.25 0.00 0.00 0.00 179.25 180.67 1r4c h LEU 27 N 0.71 -0.17 -0.88 0.00 5.85 -0.11 -0.55 115.31 120.16 1r4c h LEU 27 Ca 0.19 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1r4c h LEU 27 Cb 0.04 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1r4c h LEU 27 CO -0.03 0.00 0.57 0.44 -0.34 0.00 0.00 178.44 179.08 1r4c h ASP 28 N -0.34 0.97 -0.21 1.25 3.45 -0.86 -0.49 116.42 120.18 1r4c h ASP 28 Ca -0.02 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1r4c h ASP 28 Cb 0.27 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1r4c h ASP 28 CO 0.03 0.68 0.14 0.15 -1.57 0.00 0.00 179.24 178.67 1r4c h PHE 29 N 1.14 0.26 -0.41 4.55 3.57 -1.01 -0.18 116.94 124.87 1r4c h PHE 29 Ca 0.34 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 1r4c h PHE 29 Cb -0.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1r4c h PHE 29 CO -0.01 0.16 0.15 0.00 -2.23 0.00 0.00 178.31 176.38 1r4c h ALA 30 N 1.08 0.54 -0.54 2.41 0.00 -0.19 -0.43 119.26 122.13 1r4c h ALA 30 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1r4c h ALA 30 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1r4c h ALA 30 CO -0.02 0.15 0.31 0.28 0.00 0.00 0.00 179.25 179.98 1r4c h VAL 31 N 0.52 1.17 -0.74 0.00 2.07 -1.04 -0.02 116.25 118.20 1r4c h VAL 31 Ca 0.14 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1r4c h VAL 31 Cb 0.21 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1r4c h VAL 31 CO -0.01 0.17 0.36 1.23 0.02 0.00 0.00 177.57 179.35 1r4c h GLY 32 N 0.72 1.14 1.19 2.17 0.00 -0.69 -1.13 103.07 106.46 1r4c h GLY 32 Ca 0.19 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.13 1r4c h GLY 32 CO -0.03 0.02 -0.52 0.83 0.00 0.00 0.00 176.54 176.84 1r4c h GLU 33 N 0.59 0.85 -0.09 4.80 4.39 -0.36 -2.32 114.58 122.45 1r4c h GLU 33 Ca 0.38 -0.52 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1r4c h GLU 33 Cb 0.46 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1r4c h GLU 33 CO -0.31 1.16 0.03 -0.92 -1.16 0.00 0.00 179.01 177.81 1r4c h TYR 34 N 0.66 0.06 -0.52 4.33 3.20 -0.46 -2.06 116.97 122.18 1r4c h TYR 34 Ca 0.02 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1r4c h TYR 34 Cb 1.12 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1r4c h TYR 34 CO 0.07 0.03 0.33 -0.91 -1.64 0.00 0.00 178.16 176.04 1r4c h ASN 35 N 0.07 0.56 -0.47 -2.11 2.35 -1.17 -1.66 115.58 113.16 1r4c h ASN 35 Ca 0.04 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1r4c h ASN 35 Cb 0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1r4c h ASN 35 CO -0.04 0.40 0.31 0.11 -1.65 0.00 0.00 177.43 176.57 1r4c h LYS 36 N 0.67 0.55 0.00 0.81 1.57 -1.22 -2.91 116.57 116.04 1r4c h LYS 36 Ca 0.20 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 1r4c h LYS 36 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1r4c h LYS 36 CO -0.06 0.36 -1.03 0.00 -0.57 0.00 0.00 179.45 178.15 1r4c h ALA 37 N 1.72 0.65 -2.19 3.86 0.00 -0.90 -3.47 119.26 118.92 1r4c h ALA 37 Ca 0.18 -0.67 -0.47 0.00 0.00 0.00 0.00 54.91 53.95 1r4c h ALA 37 Cb 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1r4c h ALA 37 CO -0.04 0.79 0.29 -1.54 0.00 0.00 0.00 179.25 178.75 1r4c s SER 38 N -6.07 6.71 0.00 0.00 1.04 -0.67 -4.94 113.70 109.77 1r4c s SER 38 Ca 0.00 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.03 1r4c s SER 38 Cb 0.08 -2.47 0.32 0.00 0.10 0.00 0.00 66.02 64.05 1r4c s SER 38 CO 0.79 -0.45 1.25 0.59 0.98 0.00 0.00 173.24 176.40 1r4c n ASN 39 N -1.14 1.50 -4.75 7.02 3.02 -1.26 -4.91 115.26 114.73 1r4c n ASN 39 Ca 0.06 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 1r4c n ASN 39 Cb 0.54 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.07 7.10 0.48 6.41 3.68 -1.26 -4.92 116.67 127.08 1r4c s ASP 40 Ca 0.21 2.35 0.27 0.00 2.13 0.00 0.00 52.55 57.50 1r4c s ASP 40 Cb 0.11 -2.62 0.69 0.00 -1.45 0.00 0.00 42.92 39.64 1r4c s ASP 40 CO 0.14 -0.30 1.74 0.00 0.13 0.00 0.00 175.17 176.88 1r4c h MET 41 N 4.24 0.00 -6.52 4.34 -0.00 -1.99 -3.45 114.93 111.54 1r4c h MET 41 Ca -0.46 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 58.71 1r4c h MET 41 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.78 1r4c h MET 41 CO 0.69 0.00 0.01 0.71 -0.00 0.00 0.00 176.91 178.32 1r4c s TYR 42 N -3.36 3.51 0.10 -0.10 2.02 -1.26 -5.07 117.35 113.19 1r4c s TYR 42 Ca 0.05 1.14 -0.29 0.00 -0.37 0.00 0.00 57.07 57.60 1r4c s TYR 42 Cb 0.06 -2.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 1r4c s TYR 42 CO 0.63 0.27 0.94 -1.58 -1.57 0.00 0.00 175.55 174.24 1r4c s HIS 43 N -1.71 3.80 0.17 2.71 5.65 -1.26 -5.06 115.29 119.59 1r4c s HIS 43 Ca 0.46 1.76 0.05 0.00 0.25 0.00 0.00 55.06 57.57 1r4c s HIS 43 Cb -0.13 -3.02 -0.04 0.00 -1.18 0.00 0.00 32.58 28.21 1r4c s HIS 43 CO 0.19 0.21 0.16 -1.12 -0.65 0.00 0.00 174.74 173.54 1r4c s SER 44 N -0.00 5.65 0.15 9.88 0.01 -1.26 -5.13 113.70 122.99 1r4c s SER 44 Ca 0.46 -0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 1r4c s SER 44 Cb -0.23 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 1r4c s SER 44 CO 0.29 0.06 0.21 0.00 0.41 0.00 0.00 173.24 174.21 1r4c s ARG 45 N -3.16 1.07 0.00 12.44 1.70 -1.26 -4.93 118.95 124.82 1r4c s ARG 45 Ca 0.32 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.04 1r4c s ARG 45 Cb -0.10 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 1r4c s ARG 45 CO 0.24 -0.37 1.61 0.00 -1.08 0.00 0.00 175.30 175.71 1r4c s ALA 46 N -3.98 3.64 -0.06 7.88 0.00 -1.26 -4.89 121.76 123.09 1r4c s ALA 46 Ca 0.18 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1r4c s ALA 46 Cb 0.05 -3.70 -0.30 0.00 0.00 0.00 0.00 23.12 19.16 1r4c s ALA 46 CO -0.00 -1.21 0.75 -0.07 0.00 0.00 0.00 175.76 175.23 1r4c h LEU 47 N 9.29 0.51 -7.00 0.00 3.38 -2.06 -3.48 115.31 115.94 1r4c h LEU 47 Ca -0.40 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 56.65 1r4c h LEU 47 Cb 1.19 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.55 1r4c h LEU 47 CO 0.94 1.58 0.29 -1.58 0.09 0.00 0.00 178.44 179.75 1r4c s GLN 48 N -2.49 0.80 -0.46 1.13 0.74 -1.26 -5.12 119.66 113.01 1r4c s GLN 48 Ca -0.16 0.54 -0.17 0.00 0.05 0.00 0.00 55.36 55.62 1r4c s GLN 48 Cb 0.03 0.38 0.05 0.00 1.10 0.00 0.00 33.01 34.57 1r4c s GLN 48 CO 0.83 -0.18 0.45 0.08 -0.55 0.00 0.00 175.29 175.92 1r4c s VAL 49 N -0.41 5.11 0.07 1.34 1.01 -1.26 -4.95 120.40 121.32 1r4c s VAL 49 Ca -0.03 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1r4c s VAL 49 Cb -0.03 -4.12 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 1r4c s VAL 49 CO 0.03 -0.56 1.19 1.62 0.00 0.00 0.00 175.10 177.38 1r4c h VAL 50 N 5.76 1.51 -2.16 2.92 3.04 -2.05 -3.46 116.25 121.81 1r4c h VAL 50 Ca -0.27 -3.22 -0.04 0.00 -1.01 0.00 0.00 66.70 62.16 1r4c h VAL 50 Cb 1.11 2.74 -0.22 0.00 -2.01 0.00 0.00 31.29 32.91 1r4c h VAL 50 CO 0.86 0.86 0.00 -0.60 -1.01 0.00 0.00 177.57 177.68 1r4c s ARG 51 N -2.71 0.70 -0.04 4.17 3.52 -1.26 -5.15 118.95 118.17 1r4c s ARG 51 Ca 0.00 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.62 1r4c s ARG 51 Cb 0.10 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.75 1r4c s ARG 51 CO 0.82 -0.12 -0.06 0.00 -0.81 0.00 0.00 175.30 175.13 1r4c s ALA 52 N 0.91 0.76 0.06 6.12 0.00 -1.26 -5.14 121.76 123.22 1r4c s ALA 52 Ca -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1r4c s ALA 52 Cb -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1r4c s ALA 52 CO -0.08 0.03 -0.04 1.03 0.00 0.00 0.00 175.76 176.70 1r4c s ARG 53 N 0.78 0.67 -0.03 0.00 1.81 -1.26 -3.25 118.95 117.67 1r4c s ARG 53 Ca -0.11 -1.22 -0.03 0.00 -1.72 0.00 0.00 55.73 52.65 1r4c s ARG 53 Cb -0.14 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.44 1r4c s ARG 53 CO 0.01 -0.07 0.08 0.21 -0.68 0.00 0.00 175.30 174.85 1r4c s LYS 54 N -3.75 0.08 -0.01 3.54 2.20 -0.35 -4.92 119.74 116.53 1r4c s LYS 54 Ca 0.07 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1r4c s LYS 54 Cb 0.06 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1r4c s LYS 54 CO -0.08 -0.05 -0.00 -0.65 -0.36 0.00 0.00 175.35 174.21 1r4c s GLN 55 N 0.29 0.07 0.40 4.03 -0.21 -1.26 -2.88 119.66 120.11 1r4c s GLN 55 Ca -0.02 0.02 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 1r4c s GLN 55 Cb -0.03 -0.14 -0.08 0.00 1.00 0.00 0.00 33.01 33.75 1r4c s GLN 55 CO -0.01 -0.03 1.18 0.96 -2.12 0.00 0.00 175.29 175.27 1r4c s ILE 56 N 0.27 3.12 -0.15 1.08 -0.00 -1.26 -5.02 121.20 119.24 1r4c s ILE 56 Ca -0.02 0.94 0.01 0.00 -0.00 0.00 0.00 60.65 61.57 1r4c s ILE 56 Cb -0.04 -3.52 0.00 0.00 -0.00 0.00 0.00 42.46 38.90 1r4c s ILE 56 CO -0.01 0.08 -0.17 0.54 -0.00 0.00 0.00 174.94 175.38 1r4c s VAL 57 N -1.42 2.47 -0.07 8.37 0.11 -1.26 -5.09 120.40 123.51 1r4c s VAL 57 Ca 0.58 -0.84 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 1r4c s VAL 57 Cb -0.31 -2.02 0.04 0.00 -1.53 0.00 0.00 36.38 32.56 1r4c s VAL 57 CO 0.39 0.53 0.13 0.00 -3.33 0.00 0.00 175.10 172.81 1r4c s ALA 58 N 0.81 -0.11 0.00 1.54 0.00 -1.26 -5.13 121.76 117.61 1r4c s ALA 58 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1r4c s ALA 58 Cb -0.15 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1r4c s ALA 58 CO -0.01 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1r4c n GLY 59 N 4.93 1.17 3.01 0.00 0.00 -1.26 -4.82 105.19 108.22 1r4c n GLY 59 Ca -0.12 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.26 0.77 -0.20 1.61 1.01 0.41 -5.00 120.40 116.74 1r4c s VAL 60 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1r4c s VAL 60 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1r4c s VAL 60 CO 0.00 0.23 0.09 0.20 0.00 0.00 0.00 175.10 175.63 1r4c s ASN 61 N 0.03 5.85 -0.20 3.32 0.01 -1.26 -0.70 114.94 121.98 1r4c s ASN 61 Ca -0.00 0.12 -0.08 0.00 -0.71 0.00 0.00 52.86 52.18 1r4c s ASN 61 Cb -0.07 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1r4c s ASN 61 CO 0.00 0.16 0.09 -0.31 -1.51 0.00 0.00 177.10 175.53 1r4c s TYR 62 N 0.49 3.27 -0.34 2.20 1.51 0.73 -4.96 117.35 120.26 1r4c s TYR 62 Ca 0.05 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.17 1r4c s TYR 62 Cb -0.12 -2.14 0.05 0.00 -0.11 0.00 0.00 41.96 39.64 1r4c s TYR 62 CO 0.00 0.11 0.08 -0.06 -1.11 0.00 0.00 175.55 174.58 1r4c s PHE 63 N 0.60 3.31 -0.15 2.71 0.40 -1.26 -0.73 117.98 122.87 1r4c s PHE 63 Ca 0.05 -1.74 0.01 0.00 -0.60 0.00 0.00 56.93 54.64 1r4c s PHE 63 Cb -0.13 -2.37 -0.00 0.00 0.51 0.00 0.00 43.02 41.04 1r4c s PHE 63 CO 0.01 -0.80 -0.17 -0.51 0.70 0.00 0.00 175.22 174.45 1r4c s LEU 64 N 1.31 2.39 -0.29 -0.37 1.43 0.12 -4.98 118.68 118.29 1r4c s LEU 64 Ca -0.02 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1r4c s LEU 64 Cb -0.20 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1r4c s LEU 64 CO 0.00 0.09 0.10 -1.81 0.23 0.00 0.00 176.35 174.97 1r4c s ASP 65 N 0.75 5.29 -0.03 2.29 1.01 -1.26 0.41 116.67 125.14 1r4c s ASP 65 Ca -0.07 -0.47 0.03 0.00 0.71 0.00 0.00 52.55 52.75 1r4c s ASP 65 Cb -0.16 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1r4c s ASP 65 CO 0.01 -0.14 -0.11 -0.69 0.21 0.00 0.00 175.17 174.44 1r4c s VAL 66 N 1.58 0.96 -0.22 -1.27 1.01 0.95 -4.97 120.40 118.44 1r4c s VAL 66 Ca 0.05 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1r4c s VAL 66 Cb -0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1r4c s VAL 66 CO 0.04 0.29 0.37 -0.70 0.00 0.00 0.00 175.10 175.10 1r4c s GLU 67 N 0.20 4.12 0.09 2.72 2.12 -1.26 0.36 118.70 127.05 1r4c s GLU 67 Ca -0.04 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.47 1r4c s GLU 67 Cb -0.10 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1r4c s GLU 67 CO 0.01 -0.09 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.01 1r4c s LEU 68 N 1.47 2.93 0.03 2.70 1.43 0.13 -4.97 118.68 122.40 1r4c s LEU 68 Ca 0.17 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1r4c s LEU 68 Cb -0.15 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1r4c s LEU 68 CO 0.08 0.20 -0.13 -0.83 0.23 0.00 0.00 176.35 175.90 1r4c s GLY 69 N -1.99 0.74 0.13 -3.19 0.00 -1.26 -0.78 107.32 100.97 1r4c s GLY 69 Ca 0.19 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 1r4c s GLY 69 CO 0.11 -0.74 1.15 -1.60 0.00 0.00 0.00 173.10 172.02 1r4c s ARG 70 N -1.02 4.51 0.46 2.90 3.52 -1.08 -4.96 118.95 123.28 1r4c s ARG 70 Ca 0.02 1.76 0.08 0.00 -0.13 0.00 0.00 55.73 57.46 1r4c s ARG 70 Cb -0.07 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1r4c s ARG 70 CO 0.01 -0.09 0.61 0.95 -0.81 0.00 0.00 175.30 175.97 1r4c s THR 71 N 0.33 2.75 -1.93 4.11 -4.23 -1.26 -0.71 115.64 114.69 1r4c s THR 71 Ca 0.54 -1.02 0.31 0.00 -1.18 0.00 0.00 61.69 60.33 1r4c s THR 71 Cb -0.30 -2.78 0.71 0.00 1.34 0.00 0.00 72.50 71.48 1r4c s THR 71 CO 0.33 0.00 2.06 0.35 -0.54 0.00 0.00 174.62 176.82 1r4c n THR 72 N -1.93 0.00 -3.33 3.99 -2.24 -0.49 -4.61 114.28 105.67 1r4c n THR 72 Ca 0.10 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1r4c n THR 72 Cb 0.60 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.12 4.56 0.38 0.00 -4.23 -1.26 -4.96 115.64 110.25 1r4c s THR 74 Ca 0.26 1.05 0.21 0.00 -1.18 0.00 0.00 61.69 62.03 1r4c s THR 74 Cb -0.16 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 70.13 1r4c s THR 74 CO 0.12 -0.87 1.96 0.11 -0.54 0.00 0.00 174.62 175.40 1r4c h LYS 75 N 0.36 0.00 0.00 3.99 1.57 -1.99 -2.82 116.57 117.68 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 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1r4c h LYS 75 CO 0.61 0.22 0.00 0.25 -0.57 0.00 0.00 179.45 179.96 1r4c n THR 76 N -3.85 0.50 -4.26 -0.16 -2.24 -1.26 -4.80 114.28 98.20 1r4c n THR 76 Ca -0.02 0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.57 1r4c n THR 76 Cb 0.31 -0.86 -0.09 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.54 2.75 0.13 -0.78 -2.07 -1.07 -5.10 119.66 110.99 1r4c s GLN 77 Ca 0.16 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 52.75 1r4c s GLN 77 Cb 0.11 -2.65 -0.09 0.00 -1.09 0.00 0.00 33.01 29.29 1r4c s GLN 77 CO 0.24 0.61 1.51 -1.35 -1.32 0.00 0.00 175.29 174.99 1r4c h PRO 78 N 4.20 -0.24 -1.10 9.60 0.11 -1.89 -3.39 132.00 139.29 1r4c h PRO 78 Ca -0.49 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1r4c h PRO 78 Cb 1.17 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1r4c h PRO 78 CO 0.58 -0.16 0.16 0.09 -0.21 0.00 0.00 178.00 178.45 1r4c n ASN 79 N -5.17 3.54 -0.34 -2.05 3.02 -1.26 -4.82 115.26 108.17 1r4c n ASN 79 Ca -0.02 -2.41 0.19 0.00 -0.03 0.00 0.00 54.58 52.31 1r4c n ASN 79 Cb 0.30 -0.65 0.41 0.00 -0.61 0.00 0.00 39.78 39.22 1r4c n ASN 79 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1r4c h LEU 80 N 1.24 0.64 -0.11 3.41 3.38 -1.96 -3.31 115.31 118.60 1r4c h LEU 80 Ca 0.14 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1r4c h LEU 80 Cb 1.36 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1r4c h LEU 80 CO 0.27 0.07 0.00 0.47 0.09 0.00 0.00 178.44 179.34 1r4c n ASP 81 N -4.89 0.17 -0.38 -0.43 9.92 -1.26 -2.81 116.55 116.87 1r4c n ASP 81 Ca 0.27 -1.75 0.06 0.00 -0.53 0.00 0.00 54.79 52.84 1r4c n ASP 81 Cb 0.79 -0.02 0.03 0.00 -0.64 0.00 0.00 41.12 41.28 1r4c n ASP 81 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1r4c n ASN 82 N -0.53 1.69 -4.76 -2.24 2.04 -1.25 -5.08 115.26 105.13 1r4c n ASN 82 Ca 0.07 -1.35 -0.41 0.00 -0.44 0.00 0.00 54.58 52.45 1r4c n ASN 82 Cb 0.06 0.21 -0.01 0.00 -2.53 0.00 0.00 39.78 37.50 1r4c n ASN 82 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1r4c s PRO 84 N -1.39 3.03 0.46 0.00 0.02 -1.26 -4.78 135.00 131.08 1r4c s PRO 84 Ca 0.55 1.65 -0.22 0.00 0.02 0.00 0.00 61.00 63.00 1r4c s PRO 84 Cb -0.44 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.05 1r4c s PRO 84 CO 0.54 -1.12 1.11 -0.06 -0.33 0.00 0.00 177.00 177.14 1r4c s PHE 85 N -1.84 2.95 0.46 6.54 0.08 -1.26 -1.39 117.98 123.52 1r4c s PHE 85 Ca 0.73 1.57 -0.25 0.00 0.12 0.00 0.00 56.93 59.11 1r4c s PHE 85 Cb -0.26 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 38.86 1r4c s PHE 85 CO 0.33 -1.20 1.37 -1.01 -0.10 0.00 0.00 175.22 174.61 1r4c s HIS 86 N -1.68 2.52 0.00 0.36 3.76 0.11 -4.68 115.29 115.68 1r4c s HIS 86 Ca 0.64 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.88 1r4c s HIS 86 Cb -0.24 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.63 1r4c s HIS 86 CO 0.29 -2.68 0.47 -0.40 -0.85 0.00 0.00 174.74 171.57 1r4c n ASP 87 N -0.31 0.76 -4.84 1.40 3.85 -1.26 -4.44 116.55 111.70 1r4c n ASP 87 Ca 0.06 -1.22 -0.32 0.00 -0.71 0.00 0.00 54.79 52.60 1r4c n ASP 87 Cb 0.43 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.16 1r4c n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1r4c s GLN 88 N -0.22 3.99 0.02 0.11 -1.52 -1.26 -4.84 119.66 115.95 1r4c s GLN 88 Ca 0.00 0.97 -0.05 0.00 -1.95 0.00 0.00 55.36 54.33 1r4c s GLN 88 Cb 0.00 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.63 1r4c s GLN 88 CO 0.00 -0.22 0.47 -2.30 -0.25 0.00 0.00 175.29 172.99 1r4c n PRO 89 N -1.40 -0.07 -0.05 2.91 -0.02 -1.26 -1.90 135.00 133.22 1r4c n PRO 89 Ca 0.06 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1r4c n PRO 89 Cb 0.54 -0.69 -0.16 0.00 -0.02 0.00 0.00 33.50 33.16 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 -3.20 0.01 -0.24 6.00 8.25 -1.26 -4.12 115.22 120.66 1r4c n HIS 90 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1r4c n HIS 90 Cb 0.04 -0.72 0.19 0.00 1.12 0.00 0.00 29.99 30.62 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 0.00 0.93 -8.83 2.41 3.38 -1.91 -3.36 115.31 107.92 1r4c h LEU 91 Ca -0.24 -0.06 -0.55 0.00 0.09 0.00 0.00 57.88 57.12 1r4c h LEU 91 Cb 1.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1r4c h LEU 91 CO 0.01 0.72 1.50 -1.59 0.09 0.00 0.00 178.44 179.18 1r4c s LYS 92 N -5.75 2.83 -0.08 1.13 -2.85 -0.80 -4.80 119.74 109.43 1r4c s LYS 92 Ca -0.11 1.69 0.04 0.00 -1.00 0.00 0.00 55.97 56.59 1r4c s LYS 92 Cb 0.17 -4.41 0.00 0.00 -2.06 0.00 0.00 37.83 31.53 1r4c s LYS 92 CO 0.80 -2.45 -0.21 1.03 0.10 0.00 0.00 175.35 174.62 1r4c s ARG 93 N 6.86 2.48 -0.04 1.78 0.52 -1.26 -4.99 118.95 124.30 1r4c s ARG 93 Ca 0.95 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 1r4c s ARG 93 Cb -0.26 -1.97 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 1r4c s ARG 93 CO 0.31 0.19 -0.25 0.15 0.02 0.00 0.00 175.30 175.72 1r4c s LYS 94 N 0.27 2.36 0.02 3.54 1.02 -1.26 -2.63 119.74 123.06 1r4c s LYS 94 Ca -0.13 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 54.96 1r4c s LYS 94 Cb -0.16 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1r4c s LYS 94 CO 0.06 0.46 -0.05 0.00 -0.92 0.00 0.00 175.35 174.89 1r4c s ALA 95 N -0.35 0.38 -0.27 5.17 0.00 0.03 -0.71 121.76 126.00 1r4c s ALA 95 Ca 0.02 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1r4c s ALA 95 Cb -0.12 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 1r4c s ALA 95 CO 0.02 -0.01 0.06 -0.06 0.00 0.00 0.00 175.76 175.77 1r4c s PHE 96 N -0.89 3.11 0.10 0.00 0.40 -0.36 0.19 117.98 120.53 1r4c s PHE 96 Ca -0.07 -0.84 0.07 0.00 -0.60 0.00 0.00 56.93 55.49 1r4c s PHE 96 Cb -0.07 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 1r4c s PHE 96 CO -0.00 -0.52 -0.09 0.00 0.70 0.00 0.00 175.22 175.31 1r4c s SER 98 N -2.23 4.16 -0.07 0.00 0.01 0.44 -0.04 113.70 115.97 1r4c s SER 98 Ca 0.22 -0.95 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1r4c s SER 98 Cb -0.11 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 1r4c s SER 98 CO 0.14 -0.12 -0.11 -0.36 0.41 0.00 0.00 173.24 173.20 1r4c s PHE 99 N 1.27 2.82 -0.22 2.43 0.08 0.17 -2.00 117.98 122.54 1r4c s PHE 99 Ca -0.01 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1r4c s PHE 99 Cb -0.17 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 1r4c s PHE 99 CO -0.06 0.18 -0.15 -1.14 -0.10 0.00 0.00 175.22 173.96 1r4c s GLN 100 N -0.58 2.53 -0.16 0.44 0.74 -0.72 0.15 119.66 122.06 1r4c s GLN 100 Ca 0.08 -1.08 0.00 0.00 0.05 0.00 0.00 55.36 54.42 1r4c s GLN 100 Cb -0.12 -2.71 -0.00 0.00 1.10 0.00 0.00 33.01 31.29 1r4c s GLN 100 CO 0.02 -0.41 -0.15 0.42 -0.55 0.00 0.00 175.29 174.62 1r4c s ILE 101 N 1.21 2.67 -0.24 -2.34 1.09 0.09 -0.82 121.20 122.86 1r4c s ILE 101 Ca -0.02 -0.77 -0.16 0.00 -1.10 0.00 0.00 60.65 58.60 1r4c s ILE 101 Cb -0.17 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.07 1r4c s ILE 101 CO -0.09 0.51 0.42 -0.47 -0.10 0.00 0.00 174.94 175.22 1r4c s TYR 102 N 0.85 3.30 -0.02 3.97 5.04 0.48 -0.19 117.35 130.78 1r4c s TYR 102 Ca -0.05 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.20 1r4c s TYR 102 Cb -0.15 -2.60 -0.02 0.00 0.35 0.00 0.00 41.96 39.54 1r4c s TYR 102 CO -0.01 -0.16 -0.20 0.00 -1.34 0.00 0.00 175.55 173.84 1r4c s ALA 103 N 1.86 1.65 -0.52 3.97 0.00 0.12 -0.83 121.76 128.00 1r4c s ALA 103 Ca 0.18 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1r4c s ALA 103 Cb -0.15 -0.42 0.14 0.00 0.00 0.00 0.00 23.12 22.68 1r4c s ALA 103 CO 0.09 0.40 0.30 0.08 0.00 0.00 0.00 175.76 176.63 1r4c s VAL 104 N -0.46 3.14 0.34 0.00 1.01 -1.02 -0.45 120.40 122.96 1r4c s VAL 104 Ca 0.07 -2.82 0.03 0.00 0.00 0.00 0.00 61.98 59.26 1r4c s VAL 104 Cb -0.08 -3.13 0.28 0.00 0.00 0.00 0.00 36.38 33.45 1r4c s VAL 104 CO -0.01 -0.79 1.97 -0.65 0.00 0.00 0.00 175.10 175.63 1r4c h PRO 105 N 7.14 0.86 0.00 2.72 0.11 -1.91 0.80 132.00 141.71 1r4c h PRO 105 Ca -0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1r4c h PRO 105 Cb 0.96 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1r4c h PRO 105 CO 0.68 0.57 0.00 -2.67 -0.21 0.00 0.00 178.00 176.37 1r4c n TRP 106 N -4.45 0.00 0.64 0.65 2.14 -1.26 -2.61 117.44 112.55 1r4c n TRP 106 Ca 0.09 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.73 1r4c n TRP 106 Cb 0.12 -0.48 -0.04 0.00 -0.81 0.00 0.00 31.31 30.11 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 -1.48 2.13 -1.52 -2.67 1.13 -0.29 -5.00 117.38 109.68 1r4c n GLN 107 Ca 0.07 -0.39 -0.18 0.00 -1.94 0.00 0.00 57.00 54.56 1r4c n GLN 107 Cb 0.30 -1.18 -0.08 0.00 0.11 0.00 0.00 30.24 29.39 1r4c n GLN 107 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r4c n GLY 108 N 1.20 1.74 3.94 1.08 0.00 0.12 -5.00 105.19 108.26 1r4c n GLY 108 Ca 0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.64 5.22 -0.05 2.61 -4.23 -1.08 -4.97 115.64 110.50 1r4c s THR 109 Ca 0.00 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.96 1r4c s THR 109 Cb 0.00 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1r4c s THR 109 CO 0.00 -0.22 0.15 -0.04 -0.54 0.00 0.00 174.62 173.96 1r4c s MET 110 N -3.50 0.18 -0.01 3.99 -1.94 -1.26 -2.44 119.30 114.32 1r4c s MET 110 Ca 0.37 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.56 1r4c s MET 110 Cb -0.11 0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.82 1r4c s MET 110 CO 0.30 -0.02 -0.05 0.99 -0.01 0.00 0.00 175.02 176.22 1r4c s THR 111 N 0.04 0.46 -0.45 2.05 2.01 -0.01 -4.98 115.64 114.75 1r4c s THR 111 Ca -0.00 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 1r4c s THR 111 Cb -0.01 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.10 1r4c s THR 111 CO 0.00 0.15 0.71 -0.22 -0.69 0.00 0.00 174.62 174.57 1r4c s LEU 112 N 0.17 4.43 -0.03 4.42 2.96 -1.26 -0.38 118.68 128.98 1r4c s LEU 112 Ca -0.02 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1r4c s LEU 112 Cb -0.06 -2.80 -0.25 0.00 0.50 0.00 0.00 46.19 43.58 1r4c s LEU 112 CO -0.00 -0.86 0.73 0.28 -1.32 0.00 0.00 176.35 175.18 1r4c h SER 113 N 8.94 0.22 -4.98 3.68 0.02 -1.35 -3.48 113.55 116.59 1r4c h SER 113 Ca -0.25 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.21 1r4c h SER 113 Cb 1.09 -0.07 -0.20 0.00 0.14 0.00 0.00 62.40 63.36 1r4c h SER 113 CO 0.93 1.33 -0.17 -0.54 -1.14 0.00 0.00 176.83 177.24 1r4c s LYS 114 N -2.61 0.76 -0.26 3.45 1.02 -1.16 -4.99 119.74 115.95 1r4c s LYS 114 Ca -0.09 -0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 1r4c s LYS 114 Cb 0.07 0.34 0.11 0.00 -0.52 0.00 0.00 37.83 37.84 1r4c s LYS 114 CO 0.82 -0.22 0.57 0.45 -0.92 0.00 0.00 175.35 176.06 1r4c s SER 115 N -1.29 -0.83 -0.04 2.83 0.15 -1.25 -1.75 113.70 111.53 1r4c s SER 115 Ca -0.13 1.36 -0.03 0.00 0.70 0.00 0.00 55.95 57.85 1r4c s SER 115 Cb -0.04 1.85 0.02 0.00 -1.71 0.00 0.00 66.02 66.14 1r4c s SER 115 CO 0.06 -0.22 0.10 0.42 1.20 0.00 0.00 173.24 174.79 1r4c s THR 116 N 2.62 -0.02 0.03 6.45 -4.23 -0.84 -4.99 115.64 114.66 1r4c s THR 116 Ca -0.05 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1r4c s THR 116 Cb -0.11 -0.16 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1r4c s THR 116 CO -0.17 0.02 -0.16 0.00 -0.54 0.00 0.00 174.62 173.77 1r4c s GLN 118 N -1.04 1.97 0.56 0.00 -2.07 -0.06 -4.98 119.66 114.04 1r4c s GLN 118 Ca 0.04 -0.62 -0.19 0.00 -1.82 0.00 0.00 55.36 52.77 1r4c s GLN 118 Cb -0.08 -1.65 -0.05 0.00 -1.09 0.00 0.00 33.01 30.15 1r4c s GLN 118 CO 0.01 0.20 1.17 -0.51 -1.32 0.00 0.00 175.29 174.84 1r4c s ASP 119 N 0.20 5.49 0.00 12.60 1.01 -1.26 -1.22 116.67 133.48 1r4c s ASP 119 Ca -0.08 2.30 0.31 0.00 0.71 0.00 0.00 52.55 55.78 1r4c s ASP 119 Cb -0.13 -2.59 1.63 0.00 1.01 0.00 0.00 42.92 42.83 1r4c s ASP 119 CO 0.03 -1.39 2.07 0.00 0.21 0.00 0.00 175.17 176.10