#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 2.05 3.41 -0.02 0.00 -1.26 -5.09 105.19 104.29 1r4c n GLY 12 Ca 0.00 0.15 -0.53 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.11 0.85 -3.34 1.61 -0.02 -1.26 -4.89 135.00 127.84 1r4c n PRO 13 Ca 0.00 0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 61.33 1r4c n PRO 13 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 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 6.06 4.22 0.44 -0.52 -1.94 -0.91 -4.87 119.30 121.79 1r4c s MET 14 Ca 1.11 0.52 -0.25 0.00 -1.71 0.00 0.00 55.69 55.35 1r4c s MET 14 Cb -1.00 -3.35 -0.08 0.00 2.01 0.00 0.00 34.83 32.40 1r4c s MET 14 CO 0.53 0.37 1.39 0.16 -0.01 0.00 0.00 175.02 177.46 1r4c s ASP 15 N -0.08 6.00 0.38 3.03 -4.77 -1.26 -0.35 116.67 119.61 1r4c s ASP 15 Ca 0.27 2.85 0.04 0.00 -3.30 0.00 0.00 52.55 52.40 1r4c s ASP 15 Cb -0.16 -2.65 -0.03 0.00 -1.09 0.00 0.00 42.92 38.98 1r4c s ASP 15 CO 0.13 -1.09 0.12 0.00 0.70 0.00 0.00 175.17 175.04 1r4c s ALA 16 N -1.22 2.65 0.06 2.11 0.00 -0.96 -4.75 121.76 119.66 1r4c s ALA 16 Ca 0.60 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1r4c s ALA 16 Cb -0.42 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1r4c s ALA 16 CO 0.54 -0.37 -0.07 -1.54 0.00 0.00 0.00 175.76 174.33 1r4c s SER 17 N -3.54 0.95 0.60 0.00 1.04 -1.26 -4.58 113.70 106.90 1r4c s SER 17 Ca 0.28 -0.73 0.36 0.00 0.48 0.00 0.00 55.95 56.35 1r4c s SER 17 Cb 0.04 0.06 1.92 0.00 0.10 0.00 0.00 66.02 68.14 1r4c s SER 17 CO 0.15 -0.31 2.21 0.58 0.98 0.00 0.00 173.24 176.86 1r4c h VAL 18 N 3.90 0.22 -0.03 5.02 2.07 -1.96 -1.58 116.25 123.89 1r4c h VAL 18 Ca -0.36 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1r4c h VAL 18 Cb 1.19 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1r4c h VAL 18 CO 0.50 0.03 0.02 -0.33 0.02 0.00 0.00 177.57 177.81 1r4c h GLU 19 N 0.00 0.00 -7.07 1.57 5.08 -1.99 -3.37 114.58 108.80 1r4c h GLU 19 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1r4c h GLU 19 Cb 0.18 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.56 1r4c h GLU 19 CO 0.00 0.00 0.55 -1.21 -1.00 0.00 0.00 179.01 177.36 1r4c s GLU 20 N -4.92 3.03 0.20 2.33 2.02 -0.60 -4.94 118.70 115.82 1r4c s GLU 20 Ca -0.05 2.08 -0.06 0.00 0.02 0.00 0.00 54.97 56.96 1r4c s GLU 20 Cb 0.16 -2.12 0.13 0.00 0.10 0.00 0.00 34.13 32.40 1r4c s GLU 20 CO 0.63 -1.23 1.60 1.05 0.02 0.00 0.00 175.26 177.34 1r4c h GLU 21 N 1.21 0.85 -0.45 1.61 4.11 -1.89 -2.54 114.58 117.48 1r4c h GLU 21 Ca -0.51 -0.35 -0.10 0.00 0.07 0.00 0.00 59.36 58.47 1r4c h GLU 21 Cb 1.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1r4c h GLU 21 CO 0.56 0.99 -0.13 0.78 0.07 0.00 0.00 179.01 181.28 1r4c h GLY 22 N 0.94 0.95 0.73 1.06 0.00 -1.94 -1.85 103.07 102.96 1r4c h GLY 22 Ca 0.10 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 1r4c h GLY 22 CO 0.06 0.72 -0.05 -2.08 0.00 0.00 0.00 176.54 175.19 1r4c h VAL 23 N 0.71 1.31 -0.80 4.60 2.07 -1.82 0.53 116.25 122.84 1r4c h VAL 23 Ca 0.11 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1r4c h VAL 23 Cb 0.67 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1r4c h VAL 23 CO 0.05 0.31 0.42 0.03 0.02 0.00 0.00 177.57 178.39 1r4c h ARG 24 N -0.06 1.13 -0.61 1.57 3.08 -1.49 0.20 114.38 118.20 1r4c h ARG 24 Ca 0.03 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1r4c h ARG 24 Cb 0.50 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1r4c h ARG 24 CO 0.02 0.85 0.07 0.00 -1.07 0.00 0.00 179.97 179.83 1r4c h ARG 25 N 1.12 1.02 -0.63 0.04 3.08 -1.22 -1.57 114.38 116.22 1r4c h ARG 25 Ca 0.28 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1r4c h ARG 25 Cb 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1r4c h ARG 25 CO -0.04 0.96 0.12 0.00 -1.07 0.00 0.00 179.97 179.94 1r4c h ALA 26 N 1.11 0.84 0.11 0.04 0.00 -0.11 -1.17 119.26 120.08 1r4c h ALA 26 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1r4c h ALA 26 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r4c h ALA 26 CO 0.02 0.58 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 1r4c h LEU 27 N 0.95 -0.13 -0.85 0.00 5.85 -0.41 0.16 115.31 120.88 1r4c h LEU 27 Ca 0.19 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1r4c h LEU 27 Cb 0.41 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1r4c h LEU 27 CO 0.01 0.08 0.54 0.44 -0.34 0.00 0.00 178.44 179.16 1r4c h ASP 28 N -0.34 0.86 0.18 1.25 3.45 -1.22 0.32 116.42 120.93 1r4c h ASP 28 Ca -0.02 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 1r4c h ASP 28 Cb 0.28 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1r4c h ASP 28 CO 0.03 0.57 -0.09 0.15 -1.57 0.00 0.00 179.24 178.33 1r4c h PHE 29 N 1.01 -0.23 -0.47 4.55 3.57 -0.94 -0.28 116.94 124.14 1r4c h PHE 29 Ca 0.36 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.88 1r4c h PHE 29 Cb 0.10 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1r4c h PHE 29 CO -0.03 0.02 0.27 0.00 -2.23 0.00 0.00 178.31 176.34 1r4c h ALA 30 N 0.31 0.59 -0.58 2.41 0.00 0.15 -0.91 119.26 121.23 1r4c h ALA 30 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r4c h ALA 30 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1r4c h ALA 30 CO 0.04 -0.05 0.35 0.28 0.00 0.00 0.00 179.25 179.87 1r4c h VAL 31 N 0.54 1.17 -0.56 0.00 2.07 -0.32 0.88 116.25 120.03 1r4c h VAL 31 Ca 0.19 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.41 1r4c h VAL 31 Cb 0.04 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 1r4c h VAL 31 CO -0.10 0.18 0.19 1.23 0.02 0.00 0.00 177.57 179.09 1r4c h GLY 32 N 0.79 0.76 1.46 2.17 0.00 -0.59 -1.37 103.07 106.28 1r4c h GLY 32 Ca 0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 1r4c h GLY 32 CO -0.04 -0.02 -0.40 0.83 0.00 0.00 0.00 176.54 176.91 1r4c h GLU 33 N 0.36 0.60 -0.46 4.80 4.39 -0.42 -1.85 114.58 121.99 1r4c h GLU 33 Ca 0.28 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1r4c h GLU 33 Cb 0.34 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1r4c h GLU 33 CO -0.30 0.90 0.28 -0.92 -1.16 0.00 0.00 179.01 177.80 1r4c h TYR 34 N 0.49 0.52 -0.30 4.33 3.20 -0.44 -1.50 116.97 123.27 1r4c h TYR 34 Ca 0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1r4c h TYR 34 Cb 0.91 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1r4c h TYR 34 CO 0.04 0.30 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.79 1r4c h ASN 35 N 0.55 0.51 -0.21 -2.11 2.35 -0.92 -0.54 115.58 115.21 1r4c h ASN 35 Ca 0.18 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1r4c h ASN 35 Cb 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1r4c h ASN 35 CO -0.08 0.69 0.01 0.50 -1.65 0.00 0.00 177.43 176.90 1r4c h LYS 36 N 0.47 0.36 0.00 0.81 3.64 -1.04 -3.25 116.57 117.56 1r4c h LYS 36 Ca 0.08 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 1r4c h LYS 36 Cb 0.55 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1r4c h LYS 36 CO 0.04 0.54 -0.67 0.00 -2.27 0.00 0.00 179.45 177.08 1r4c h ALA 37 N 0.81 0.73 -2.49 5.00 0.00 -1.16 -3.46 119.26 118.69 1r4c h ALA 37 Ca 0.06 -0.61 -0.52 0.00 0.00 0.00 0.00 54.91 53.84 1r4c h ALA 37 Cb 0.37 -0.11 0.14 0.00 0.00 0.00 0.00 17.79 18.20 1r4c h ALA 37 CO 0.01 0.84 0.35 0.45 0.00 0.00 0.00 179.25 180.90 1r4c s SER 38 N -6.66 4.30 0.00 0.00 0.15 -0.22 -4.93 113.70 106.35 1r4c s SER 38 Ca 0.01 2.13 0.21 0.00 0.70 0.00 0.00 55.95 59.00 1r4c s SER 38 Cb 0.11 -2.56 0.52 0.00 -1.71 0.00 0.00 66.02 62.38 1r4c s SER 38 CO 0.76 -2.18 1.44 0.59 1.20 0.00 0.00 173.24 175.06 1r4c n ASN 39 N -3.02 3.64 -4.79 5.45 3.02 -1.26 -4.96 115.26 113.34 1r4c n ASN 39 Ca 0.11 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.33 1r4c n ASN 39 Cb 0.52 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.15 6.54 0.22 6.41 2.15 -1.26 -4.94 116.67 124.64 1r4c s ASP 40 Ca 0.42 1.98 0.25 0.00 0.43 0.00 0.00 52.55 55.63 1r4c s ASP 40 Cb 0.23 -2.57 0.61 0.00 -0.30 0.00 0.00 42.92 40.88 1r4c s ASP 40 CO 0.30 -0.64 1.62 0.00 -0.17 0.00 0.00 175.17 176.28 1r4c h MET 41 N 2.00 0.00 -5.87 4.34 -0.00 -2.00 -3.46 114.93 109.96 1r4c h MET 41 Ca -0.49 0.00 -0.63 0.00 -0.00 0.00 0.00 59.70 58.58 1r4c h MET 41 Cb 1.22 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.76 1r4c h MET 41 CO 0.61 0.00 -0.35 0.71 -0.00 0.00 0.00 176.91 177.87 1r4c s TYR 42 N -3.14 3.63 0.13 -0.10 2.02 -1.26 -5.06 117.35 113.57 1r4c s TYR 42 Ca 0.09 0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 57.18 1r4c s TYR 42 Cb 0.12 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.53 1r4c s TYR 42 CO 0.64 0.66 1.26 -1.58 -1.57 0.00 0.00 175.55 174.96 1r4c s HIS 43 N -1.16 3.36 0.20 2.71 5.65 -1.26 -5.04 115.29 119.75 1r4c s HIS 43 Ca 0.23 1.24 0.06 0.00 0.25 0.00 0.00 55.06 56.84 1r4c s HIS 43 Cb -0.14 -3.52 -0.04 0.00 -1.18 0.00 0.00 32.58 27.71 1r4c s HIS 43 CO 0.12 -1.62 0.13 -1.12 -0.65 0.00 0.00 174.74 171.60 1r4c s SER 44 N 0.69 5.37 0.04 9.88 0.01 -1.26 -5.14 113.70 123.30 1r4c s SER 44 Ca 0.58 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.56 1r4c s SER 44 Cb -0.33 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1r4c s SER 44 CO 0.33 0.03 0.09 -0.60 0.41 0.00 0.00 173.24 173.50 1r4c s ARG 45 N -3.35 0.60 0.07 12.44 3.52 -1.26 -4.95 118.95 126.03 1r4c s ARG 45 Ca 0.31 -0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 54.80 1r4c s ARG 45 Cb -0.09 0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 33.47 1r4c s ARG 45 CO 0.23 -0.15 1.31 0.00 -0.81 0.00 0.00 175.30 175.88 1r4c s ALA 46 N -2.78 3.51 -0.05 6.12 0.00 -1.26 -4.90 121.76 122.40 1r4c s ALA 46 Ca -0.04 0.97 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1r4c s ALA 46 Cb -0.00 -3.51 -0.24 0.00 0.00 0.00 0.00 23.12 19.37 1r4c s ALA 46 CO -0.05 -0.59 0.63 -0.07 0.00 0.00 0.00 175.76 175.68 1r4c h LEU 47 N 7.06 0.13 -7.00 0.00 3.38 -2.06 -3.49 115.31 113.33 1r4c h LEU 47 Ca -0.41 -0.27 0.20 0.00 0.09 0.00 0.00 57.88 57.49 1r4c h LEU 47 Cb 1.21 -0.04 -0.27 0.00 0.09 0.00 0.00 40.66 41.65 1r4c h LEU 47 CO 0.85 1.24 0.86 0.00 0.09 0.00 0.00 178.44 181.48 1r4c s GLN 48 N -2.59 0.18 -0.44 1.13 -2.07 -1.26 -5.11 119.66 109.50 1r4c s GLN 48 Ca -0.09 0.05 -0.20 0.00 -1.82 0.00 0.00 55.36 53.29 1r4c s GLN 48 Cb 0.08 0.09 0.03 0.00 -1.09 0.00 0.00 33.01 32.11 1r4c s GLN 48 CO 0.81 -0.06 0.63 0.08 -1.32 0.00 0.00 175.29 175.44 1r4c s VAL 49 N -1.02 4.84 -0.09 3.63 1.01 -1.26 -4.94 120.40 122.58 1r4c s VAL 49 Ca 0.06 0.04 0.14 0.00 0.00 0.00 0.00 61.98 62.23 1r4c s VAL 49 Cb -0.01 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1r4c s VAL 49 CO -0.06 -0.60 1.44 -0.37 0.00 0.00 0.00 175.10 175.51 1r4c h VAL 50 N 5.87 0.99 -2.17 2.92 -1.51 -2.05 -3.46 116.25 116.84 1r4c h VAL 50 Ca -0.26 -2.34 -0.04 0.00 -1.23 0.00 0.00 66.70 62.83 1r4c h VAL 50 Cb 1.10 2.45 -0.22 0.00 -2.13 0.00 0.00 31.29 32.49 1r4c h VAL 50 CO 0.89 0.55 0.00 -0.60 -1.23 0.00 0.00 177.57 177.19 1r4c s ARG 51 N -2.97 0.71 -0.01 5.19 3.52 -1.26 -5.16 118.95 118.96 1r4c s ARG 51 Ca 0.03 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1r4c s ARG 51 Cb 0.08 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 1r4c s ARG 51 CO 0.75 -0.11 -0.03 0.00 -0.81 0.00 0.00 175.30 175.09 1r4c s ALA 52 N 0.83 0.39 0.06 6.12 0.00 -1.26 -5.11 121.76 122.79 1r4c s ALA 52 Ca -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1r4c s ALA 52 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1r4c s ALA 52 CO -0.07 0.05 0.15 1.03 0.00 0.00 0.00 175.76 176.92 1r4c s ARG 53 N 0.24 0.73 0.03 0.00 0.52 -1.26 -2.26 118.95 116.95 1r4c s ARG 53 Ca -0.02 -0.86 -0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1r4c s ARG 53 Cb -0.06 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.68 1r4c s ARG 53 CO -0.00 -0.21 -0.03 -1.59 0.02 0.00 0.00 175.30 173.49 1r4c s LYS 54 N -3.27 0.42 -0.05 3.54 -2.85 0.52 -4.83 119.74 113.23 1r4c s LYS 54 Ca 0.00 -0.83 -0.08 0.00 -1.00 0.00 0.00 55.97 54.06 1r4c s LYS 54 Cb 0.02 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1r4c s LYS 54 CO -0.08 -0.07 0.20 1.14 0.10 0.00 0.00 175.35 176.64 1r4c s GLN 55 N -2.36 0.36 0.24 1.78 -2.07 -1.26 -2.15 119.66 114.20 1r4c s GLN 55 Ca -0.08 0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.19 1r4c s GLN 55 Cb -0.03 0.16 -0.09 0.00 -1.09 0.00 0.00 33.01 31.96 1r4c s GLN 55 CO -0.04 -0.07 1.23 0.42 -1.32 0.00 0.00 175.29 175.51 1r4c s ILE 56 N -0.50 3.25 -0.22 3.63 1.01 -1.26 -5.02 121.20 122.08 1r4c s ILE 56 Ca -0.06 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.67 1r4c s ILE 56 Cb -0.04 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1r4c s ILE 56 CO 0.01 0.22 0.00 -0.69 0.00 0.00 0.00 174.94 174.48 1r4c s VAL 57 N -0.49 3.79 -0.06 2.92 1.01 -1.26 -5.08 120.40 121.24 1r4c s VAL 57 Ca 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1r4c s VAL 57 Cb -0.35 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.33 1r4c s VAL 57 CO 0.42 0.40 0.08 0.00 0.00 0.00 0.00 175.10 176.00 1r4c s ALA 58 N 1.39 0.17 0.00 5.51 0.00 -1.26 -5.12 121.76 122.44 1r4c s ALA 58 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1r4c s ALA 58 Cb -0.15 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1r4c s ALA 58 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1r4c n GLY 59 N 5.30 1.81 2.80 0.00 0.00 -1.26 -4.82 105.19 109.02 1r4c n GLY 59 Ca -0.03 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.11 -0.04 -0.18 1.61 1.01 0.80 -5.00 120.40 116.49 1r4c s VAL 60 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1r4c s VAL 60 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.26 1r4c s VAL 60 CO 0.00 0.07 0.26 0.20 0.00 0.00 0.00 175.10 175.62 1r4c s ASN 61 N 0.80 6.37 -0.16 3.32 0.02 -1.26 -0.02 114.94 124.01 1r4c s ASN 61 Ca -0.07 0.43 -0.05 0.00 -1.02 0.00 0.00 52.86 52.15 1r4c s ASN 61 Cb -0.10 -2.16 -0.03 0.00 0.02 0.00 0.00 41.25 38.98 1r4c s ASN 61 CO -0.02 0.10 0.02 -0.31 0.02 0.00 0.00 177.10 176.91 1r4c s TYR 62 N 0.53 3.16 -0.28 2.20 1.51 0.51 -4.94 117.35 120.04 1r4c s TYR 62 Ca 0.14 -0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1r4c s TYR 62 Cb -0.13 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1r4c s TYR 62 CO 0.03 0.14 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.54 1r4c s PHE 63 N 0.16 3.15 -0.14 2.71 0.40 -1.26 -0.50 117.98 122.49 1r4c s PHE 63 Ca 0.02 -1.52 0.01 0.00 -0.60 0.00 0.00 56.93 54.85 1r4c s PHE 63 Cb -0.13 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.30 1r4c s PHE 63 CO 0.01 -0.72 -0.17 -0.51 0.70 0.00 0.00 175.22 174.53 1r4c s LEU 64 N 1.34 1.86 -0.33 -0.37 1.43 -0.29 -5.00 118.68 117.34 1r4c s LEU 64 Ca -0.01 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1r4c s LEU 64 Cb -0.18 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1r4c s LEU 64 CO -0.02 0.00 0.20 -1.81 0.23 0.00 0.00 176.35 174.95 1r4c s ASP 65 N 1.18 5.81 -0.02 2.29 1.01 -1.26 -0.49 116.67 125.18 1r4c s ASP 65 Ca -0.01 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.80 1r4c s ASP 65 Cb -0.14 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1r4c s ASP 65 CO -0.07 -0.21 -0.07 -0.69 0.21 0.00 0.00 175.17 174.33 1r4c s VAL 66 N 1.67 0.64 -0.25 -1.27 1.01 0.17 -4.97 120.40 117.40 1r4c s VAL 66 Ca 0.05 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1r4c s VAL 66 Cb -0.17 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1r4c s VAL 66 CO 0.08 0.20 0.52 -0.70 0.00 0.00 0.00 175.10 175.21 1r4c s GLU 67 N 0.12 4.09 -0.08 2.72 2.12 -1.26 -0.27 118.70 126.14 1r4c s GLU 67 Ca -0.01 0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.65 1r4c s GLU 67 Cb -0.07 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1r4c s GLU 67 CO 0.00 -0.32 0.03 -0.51 -0.54 0.00 0.00 175.26 173.93 1r4c s LEU 68 N 2.20 3.75 0.03 2.70 1.43 0.22 -4.96 118.68 124.06 1r4c s LEU 68 Ca 0.22 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1r4c s LEU 68 Cb -0.16 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1r4c s LEU 68 CO 0.09 0.37 -0.20 -0.83 0.23 0.00 0.00 176.35 176.02 1r4c s GLY 69 N -1.01 1.52 -0.06 -3.19 0.00 -1.26 -0.84 107.32 102.47 1r4c s GLY 69 Ca 0.15 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 1r4c s GLY 69 CO 0.04 -1.05 1.01 -1.60 0.00 0.00 0.00 173.10 171.50 1r4c s ARG 70 N -1.28 4.46 0.52 2.90 3.52 -0.76 -4.97 118.95 123.34 1r4c s ARG 70 Ca 0.13 1.43 0.09 0.00 -0.13 0.00 0.00 55.73 57.25 1r4c s ARG 70 Cb -0.10 -3.51 0.06 0.00 -1.56 0.00 0.00 34.95 29.83 1r4c s ARG 70 CO 0.04 -0.24 0.70 0.95 -0.81 0.00 0.00 175.30 175.94 1r4c s THR 71 N 1.68 2.44 0.04 4.11 -4.23 -1.26 -1.18 115.64 117.24 1r4c s THR 71 Ca 0.50 -1.01 0.11 0.00 -1.18 0.00 0.00 61.69 60.11 1r4c s THR 71 Cb -0.20 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.13 1r4c s THR 71 CO 0.22 0.00 1.42 0.74 -0.54 0.00 0.00 174.62 176.45 1r4c h THR 72 N 0.36 1.30 -3.95 3.99 2.02 -1.76 -3.45 112.91 111.43 1r4c h THR 72 Ca -0.34 -2.68 -0.50 0.00 0.77 0.00 0.00 66.41 63.67 1r4c h THR 72 Cb 1.29 2.54 0.04 0.00 -1.74 0.00 0.00 68.15 70.27 1r4c h THR 72 CO 0.43 0.71 0.46 0.00 0.37 0.00 0.00 175.52 177.49 1r4c s THR 74 N -1.52 3.26 -0.39 0.00 -4.23 -1.26 -5.01 115.64 106.50 1r4c s THR 74 Ca 0.58 -0.31 0.25 0.00 -1.18 0.00 0.00 61.69 61.03 1r4c s THR 74 Cb -0.27 -3.28 0.34 0.00 1.34 0.00 0.00 72.50 70.63 1r4c s THR 74 CO 0.34 -0.24 1.69 0.11 -0.54 0.00 0.00 174.62 175.98 1r4c h LYS 75 N -0.06 0.00 0.00 3.99 1.57 -2.00 -3.25 116.57 116.82 1r4c h LYS 75 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1r4c h LYS 75 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1r4c h LYS 75 CO 0.58 0.00 -0.09 1.79 -0.57 0.00 0.00 179.45 181.16 1r4c h THR 76 N 0.00 0.18 -4.04 -0.16 1.35 -2.04 -3.47 112.91 104.73 1r4c h THR 76 Ca 0.00 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 1r4c h THR 76 Cb 0.87 1.88 0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1r4c h THR 76 CO 0.00 0.09 -0.00 0.00 -0.25 0.00 0.00 175.52 175.36 1r4c n GLN 77 N -3.15 0.80 0.00 4.72 10.64 -1.23 -5.15 117.38 124.01 1r4c n GLN 77 Ca 0.02 -0.37 0.00 0.00 -1.83 0.00 0.00 57.00 54.83 1r4c n GLN 77 Cb 0.48 -0.05 0.00 0.00 -0.86 0.00 0.00 30.24 29.81 1r4c n GLN 77 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1r4c n PRO 78 N -1.18 0.00 -3.92 2.61 -0.02 -1.26 -4.95 135.00 126.27 1r4c n PRO 78 Ca 0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.15 1r4c n PRO 78 Cb 0.07 -0.25 -0.11 0.00 -0.02 0.00 0.00 33.50 33.20 1r4c n PRO 78 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1r4c s ASN 79 N -2.39 5.49 0.00 2.55 4.22 -1.26 -5.03 114.94 118.52 1r4c s ASN 79 Ca 0.00 -0.02 0.12 0.00 -2.14 0.00 0.00 52.86 50.82 1r4c s ASN 79 Cb 0.00 -1.96 0.14 0.00 1.28 0.00 0.00 41.25 40.71 1r4c s ASN 79 CO 0.00 0.10 0.95 0.18 -2.04 0.00 0.00 177.10 176.29 1r4c n LEU 80 N 4.05 2.18 -0.63 3.54 4.77 -1.26 -4.10 117.00 125.54 1r4c n LEU 80 Ca -0.16 -1.21 0.12 0.00 -0.03 0.00 0.00 56.01 54.73 1r4c n LEU 80 Cb 0.52 -0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.68 1r4c n LEU 80 CO 0.34 0.45 0.50 -0.90 -1.33 0.00 0.00 177.39 176.44 1r4c n ASP 81 N 0.64 2.21 0.00 -1.43 5.75 -1.26 -4.43 116.55 118.03 1r4c n ASP 81 Ca 0.08 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1r4c n ASP 81 Cb 0.32 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1r4c n ASP 81 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1r4c n ASN 82 N 0.39 1.84 -4.70 -1.12 5.15 -1.26 -5.04 115.26 110.51 1r4c n ASN 82 Ca 0.12 -0.27 -0.55 0.00 -0.60 0.00 0.00 54.58 53.28 1r4c n ASN 82 Cb 0.49 0.90 -0.07 0.00 -0.53 0.00 0.00 39.78 40.58 1r4c n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r4c n PRO 84 N 5.63 1.62 -1.94 0.00 -0.02 -1.26 -4.80 135.00 134.24 1r4c n PRO 84 Ca 0.26 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 1r4c n PRO 84 Cb 0.17 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.85 2.69 0.15 6.00 0.08 -1.26 -2.26 117.98 122.54 1r4c s PHE 85 Ca 0.61 1.54 -0.31 0.00 0.12 0.00 0.00 56.93 58.89 1r4c s PHE 85 Cb -0.68 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 38.51 1r4c s PHE 85 CO 0.58 -1.56 1.45 -1.01 -0.10 0.00 0.00 175.22 174.58 1r4c s HIS 86 N -2.21 3.16 -0.65 0.36 3.76 -0.33 -4.78 115.29 114.61 1r4c s HIS 86 Ca 0.68 0.88 0.15 0.00 -0.15 0.00 0.00 55.06 56.62 1r4c s HIS 86 Cb -0.21 -3.77 -0.17 0.00 1.11 0.00 0.00 32.58 29.54 1r4c s HIS 86 CO 0.37 -2.71 0.62 -0.40 -0.85 0.00 0.00 174.74 171.77 1r4c n ASP 87 N 3.67 0.78 -4.82 1.40 3.85 -1.26 -4.63 116.55 115.54 1r4c n ASP 87 Ca 0.11 -0.78 -0.37 0.00 -0.71 0.00 0.00 54.79 53.05 1r4c n ASP 87 Cb 0.41 1.07 -0.06 0.00 -1.35 0.00 0.00 41.12 41.19 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 -2.49 4.19 0.00 0.11 -0.21 -1.26 -4.96 119.66 115.04 1r4c s GLN 88 Ca 0.05 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.18 1r4c s GLN 88 Cb 0.11 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 31.12 1r4c s GLN 88 CO 0.63 0.49 0.17 -2.30 -2.12 0.00 0.00 175.29 172.15 1r4c n PRO 89 N 1.03 0.00 -0.33 2.91 -0.02 -1.26 -1.68 135.00 135.65 1r4c n PRO 89 Ca -0.05 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1r4c n PRO 89 Cb 0.51 -0.33 0.24 0.00 -0.02 0.00 0.00 33.50 33.90 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 -0.69 0.83 -0.07 6.00 8.25 -1.26 -4.11 115.22 124.17 1r4c n HIS 90 Ca 0.00 -0.38 -0.05 0.00 -0.26 0.00 0.00 57.72 57.04 1r4c n HIS 90 Cb 0.00 -0.06 -0.15 0.00 1.12 0.00 0.00 29.99 30.89 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 0.94 0.00 -4.77 2.41 4.77 -0.68 -4.97 117.00 114.70 1r4c n LEU 91 Ca 0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.78 1r4c n LEU 91 Cb 0.52 0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 1r4c n LEU 91 CO 0.14 0.35 0.86 -1.59 -1.33 0.00 0.00 177.39 175.82 1r4c s LYS 92 N -2.70 3.91 -0.17 3.23 -2.85 -1.01 -4.94 119.74 115.21 1r4c s LYS 92 Ca -0.09 1.88 -0.16 0.00 -1.00 0.00 0.00 55.97 56.60 1r4c s LYS 92 Cb 0.07 -2.58 0.04 0.00 -2.06 0.00 0.00 37.83 33.31 1r4c s LYS 92 CO 0.80 -0.45 0.46 -0.98 0.10 0.00 0.00 175.35 175.27 1r4c s ARG 93 N -2.44 0.54 0.07 1.78 1.70 -1.26 -5.04 118.95 114.30 1r4c s ARG 93 Ca 0.60 0.64 0.09 0.00 -0.47 0.00 0.00 55.73 56.58 1r4c s ARG 93 Cb -0.31 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.30 1r4c s ARG 93 CO 0.39 -0.06 -0.24 0.15 -1.08 0.00 0.00 175.30 174.46 1r4c s LYS 94 N 0.24 1.46 -0.02 3.89 1.02 -1.26 -1.84 119.74 123.23 1r4c s LYS 94 Ca -0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 54.86 1r4c s LYS 94 Cb -0.03 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1r4c s LYS 94 CO 0.01 0.42 0.06 0.00 -0.92 0.00 0.00 175.35 174.92 1r4c s ALA 95 N -0.91 -0.15 -0.23 5.17 0.00 -0.02 -0.49 121.76 125.12 1r4c s ALA 95 Ca 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 1r4c s ALA 95 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1r4c s ALA 95 CO 0.03 -0.07 -0.01 -0.06 0.00 0.00 0.00 175.76 175.65 1r4c s PHE 96 N -0.31 3.00 0.12 0.00 0.40 0.12 0.71 117.98 122.01 1r4c s PHE 96 Ca -0.04 -0.85 0.09 0.00 -0.60 0.00 0.00 56.93 55.54 1r4c s PHE 96 Cb -0.03 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1r4c s PHE 96 CO 0.00 -0.52 -0.20 0.00 0.70 0.00 0.00 175.22 175.21 1r4c s SER 98 N -2.17 3.49 -0.07 0.00 0.01 0.09 0.42 113.70 115.47 1r4c s SER 98 Ca 0.18 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.58 1r4c s SER 98 Cb -0.10 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 1r4c s SER 98 CO 0.10 -0.09 -0.18 -0.36 0.41 0.00 0.00 173.24 173.12 1r4c s PHE 99 N 1.29 2.64 -0.26 2.43 0.08 0.35 -1.94 117.98 122.58 1r4c s PHE 99 Ca -0.00 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 1r4c s PHE 99 Cb -0.16 -1.68 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1r4c s PHE 99 CO -0.09 -0.06 -0.07 -1.14 -0.10 0.00 0.00 175.22 173.76 1r4c s GLN 100 N -0.24 2.67 -0.19 0.44 0.74 -0.34 -1.14 119.66 121.61 1r4c s GLN 100 Ca 0.00 -1.08 -0.03 0.00 0.05 0.00 0.00 55.36 54.30 1r4c s GLN 100 Cb -0.13 -2.98 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 1r4c s GLN 100 CO 0.03 -0.46 -0.06 0.42 -0.55 0.00 0.00 175.29 174.68 1r4c s ILE 101 N 1.27 3.47 -0.33 -2.34 1.09 0.34 -0.81 121.20 123.90 1r4c s ILE 101 Ca -0.02 -0.48 -0.18 0.00 -1.10 0.00 0.00 60.65 58.86 1r4c s ILE 101 Cb -0.18 -2.54 -0.01 0.00 -1.06 0.00 0.00 42.46 38.68 1r4c s ILE 101 CO -0.04 0.46 0.54 -0.47 -0.10 0.00 0.00 174.94 175.32 1r4c s TYR 102 N 0.95 3.19 0.08 3.97 5.04 0.04 -0.36 117.35 130.27 1r4c s TYR 102 Ca -0.00 0.32 0.09 0.00 -2.44 0.00 0.00 57.07 55.03 1r4c s TYR 102 Cb -0.15 -2.92 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 1r4c s TYR 102 CO 0.01 -0.50 -0.21 0.00 -1.34 0.00 0.00 175.55 173.51 1r4c s ALA 103 N 2.44 2.52 -0.54 3.97 0.00 0.97 -1.13 121.76 129.99 1r4c s ALA 103 Ca 0.20 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1r4c s ALA 103 Cb -0.15 -0.59 0.14 0.00 0.00 0.00 0.00 23.12 22.52 1r4c s ALA 103 CO 0.13 0.57 0.32 0.08 0.00 0.00 0.00 175.76 176.86 1r4c s VAL 104 N -1.00 2.22 0.28 0.00 1.01 -0.78 -0.14 120.40 121.99 1r4c s VAL 104 Ca 0.15 -3.34 0.00 0.00 0.00 0.00 0.00 61.98 58.79 1r4c s VAL 104 Cb -0.10 -2.52 0.28 0.00 0.00 0.00 0.00 36.38 34.04 1r4c s VAL 104 CO 0.06 -0.91 1.85 -0.65 0.00 0.00 0.00 175.10 175.45 1r4c h PRO 105 N 6.20 1.02 0.00 2.72 0.11 -1.93 -0.10 132.00 140.02 1r4c h PRO 105 Ca 0.02 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1r4c h PRO 105 Cb 0.86 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1r4c h PRO 105 CO 0.62 0.68 0.00 -2.67 -0.21 0.00 0.00 178.00 176.42 1r4c n TRP 106 N -4.58 0.00 0.10 0.65 2.14 -1.26 -1.71 117.44 112.78 1r4c n TRP 106 Ca 0.18 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.77 1r4c n TRP 106 Cb 0.30 -0.26 0.04 0.00 -0.81 0.00 0.00 31.31 30.57 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 -1.26 0.84 -2.37 -2.67 6.02 -0.18 -5.02 117.38 112.74 1r4c n GLN 107 Ca 0.11 -1.13 -0.20 0.00 -0.01 0.00 0.00 57.00 55.77 1r4c n GLN 107 Cb 0.16 -1.10 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 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 0.15 -0.40 3.64 1.08 0.00 -0.46 -5.00 105.19 104.18 1r4c n GLY 108 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.99 3.54 -0.13 2.61 -4.23 -1.08 -5.00 115.64 108.36 1r4c s THR 109 Ca 0.00 -1.59 -0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1r4c s THR 109 Cb 0.00 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.08 1r4c s THR 109 CO 0.00 -0.18 0.33 -0.04 -0.54 0.00 0.00 174.62 174.20 1r4c s MET 110 N -3.10 0.35 0.04 3.99 -1.94 -1.26 -1.86 119.30 115.52 1r4c s MET 110 Ca 0.28 0.55 0.05 0.00 -1.71 0.00 0.00 55.69 54.86 1r4c s MET 110 Cb -0.08 0.08 -0.02 0.00 2.01 0.00 0.00 34.83 36.81 1r4c s MET 110 CO 0.18 -0.09 -0.14 0.95 -0.01 0.00 0.00 175.02 175.91 1r4c s THR 111 N 0.67 1.07 -0.40 2.05 -4.23 -0.28 -5.00 115.64 109.53 1r4c s THR 111 Ca -0.04 -1.01 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 1r4c s THR 111 Cb -0.05 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.82 1r4c s THR 111 CO -0.04 -0.03 0.68 -0.22 -0.54 0.00 0.00 174.62 174.47 1r4c s LEU 112 N -1.18 4.30 -0.04 4.79 2.96 -1.26 -0.78 118.68 127.47 1r4c s LEU 112 Ca 0.01 0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1r4c s LEU 112 Cb -0.08 -2.83 -0.29 0.00 0.50 0.00 0.00 46.19 43.49 1r4c s LEU 112 CO 0.01 -0.72 0.69 0.28 -1.32 0.00 0.00 176.35 175.29 1r4c h SER 113 N 8.67 0.50 -5.03 3.68 0.02 -1.34 -3.48 113.55 116.57 1r4c h SER 113 Ca -0.26 -0.78 -0.11 0.00 -0.84 0.00 0.00 61.79 59.81 1r4c h SER 113 Cb 1.10 -0.16 -0.18 0.00 0.14 0.00 0.00 62.40 63.29 1r4c h SER 113 CO 0.88 1.67 -0.27 -0.54 -1.14 0.00 0.00 176.83 177.43 1r4c s LYS 114 N -2.59 0.74 -0.30 3.45 1.02 -1.10 -4.98 119.74 115.98 1r4c s LYS 114 Ca -0.14 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.31 1r4c s LYS 114 Cb 0.06 0.32 0.16 0.00 -0.52 0.00 0.00 37.83 37.85 1r4c s LYS 114 CO 0.84 -0.22 0.97 -1.54 -0.92 0.00 0.00 175.35 174.48 1r4c s SER 115 N -1.76 -0.59 -0.01 2.83 1.04 -1.25 -1.20 113.70 112.77 1r4c s SER 115 Ca -0.09 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1r4c s SER 115 Cb -0.03 1.59 -0.01 0.00 0.10 0.00 0.00 66.02 67.68 1r4c s SER 115 CO -0.00 -0.12 -0.07 0.42 0.98 0.00 0.00 173.24 174.44 1r4c s THR 116 N 2.23 0.57 0.07 2.02 -4.23 -0.82 -4.98 115.64 110.50 1r4c s THR 116 Ca -0.04 -0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1r4c s THR 116 Cb -0.06 -0.48 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 1r4c s THR 116 CO -0.17 0.16 -0.16 0.00 -0.54 0.00 0.00 174.62 173.91 1r4c s GLN 118 N -1.57 1.16 0.55 0.00 -0.21 -0.23 -4.96 119.66 114.40 1r4c s GLN 118 Ca 0.01 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.32 1r4c s GLN 118 Cb -0.09 -1.23 -0.05 0.00 1.00 0.00 0.00 33.01 32.64 1r4c s GLN 118 CO 0.02 0.31 1.32 -0.51 -2.12 0.00 0.00 175.29 174.31 1r4c s ASP 119 N -1.19 5.31 0.00 5.90 1.11 -1.26 -0.70 116.67 125.83 1r4c s ASP 119 Ca 0.05 2.67 0.00 0.00 0.18 0.00 0.00 52.55 55.45 1r4c s ASP 119 Cb -0.08 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1r4c s ASP 119 CO 0.02 -1.53 0.00 0.00 1.18 0.00 0.00 175.17 174.83