#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 0.00 3.66 -0.02 0.00 -1.26 -4.84 105.19 102.73 1r4c n GLY 12 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.02 2.85 -1.97 1.61 -0.02 -1.26 -4.96 135.00 131.28 1r4c n PRO 13 Ca 0.00 1.05 -0.30 0.00 -2.02 0.00 0.00 63.50 62.22 1r4c n PRO 13 Cb 0.00 -3.00 0.02 0.00 -0.02 0.00 0.00 33.50 30.50 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 4.37 3.38 0.81 -0.52 0.23 0.18 -4.74 119.30 123.01 1r4c s MET 14 Ca 0.89 0.59 -0.11 0.00 -1.03 0.00 0.00 55.69 56.03 1r4c s MET 14 Cb -0.44 -2.10 0.08 0.00 -1.53 0.00 0.00 34.83 30.83 1r4c s MET 14 CO 0.42 -0.66 1.09 0.34 -2.03 0.00 0.00 175.02 174.18 1r4c s ASP 15 N -4.22 4.26 0.02 -1.18 -1.08 -1.26 -0.38 116.67 112.83 1r4c s ASP 15 Ca 0.55 1.66 -0.13 0.00 -0.52 0.00 0.00 52.55 54.12 1r4c s ASP 15 Cb -0.11 -2.38 0.02 0.00 -1.46 0.00 0.00 42.92 38.99 1r4c s ASP 15 CO 0.52 -2.17 0.28 0.00 0.52 0.00 0.00 175.17 174.32 1r4c s ALA 16 N -2.94 -0.63 0.16 3.66 0.00 0.11 -4.51 121.76 117.60 1r4c s ALA 16 Ca 0.62 0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.71 1r4c s ALA 16 Cb -0.17 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1r4c s ALA 16 CO 0.56 -0.35 -0.22 -1.54 0.00 0.00 0.00 175.76 174.21 1r4c s SER 17 N -1.82 3.01 0.66 0.00 1.04 -1.26 -4.40 113.70 110.93 1r4c s SER 17 Ca -0.08 -0.81 0.42 0.00 0.48 0.00 0.00 55.95 55.95 1r4c s SER 17 Cb -0.03 -0.20 2.29 0.00 0.10 0.00 0.00 66.02 68.19 1r4c s SER 17 CO -0.01 0.07 2.32 -0.37 0.98 0.00 0.00 173.24 176.23 1r4c h VAL 18 N 3.50 0.07 0.00 5.02 -1.51 -1.96 -2.07 116.25 119.29 1r4c h VAL 18 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1r4c h VAL 18 Cb 1.20 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1r4c h VAL 18 CO 0.46 0.00 0.00 -0.08 -1.23 0.00 0.00 177.57 176.72 1r4c h GLU 19 N 0.00 0.00 -6.95 5.19 4.81 -1.98 -3.37 114.58 112.29 1r4c h GLU 19 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 1r4c h GLU 19 Cb 0.06 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.47 1r4c h GLU 19 CO -0.00 0.00 0.45 -1.21 -0.73 0.00 0.00 179.01 177.52 1r4c s GLU 20 N -3.51 4.14 0.09 1.92 2.02 -0.78 -4.94 118.70 117.64 1r4c s GLU 20 Ca 0.03 1.64 -0.27 0.00 0.02 0.00 0.00 54.97 56.39 1r4c s GLU 20 Cb 0.09 -2.63 -0.15 0.00 0.10 0.00 0.00 34.13 31.54 1r4c s GLU 20 CO 0.53 -0.19 1.68 1.49 0.02 0.00 0.00 175.26 178.79 1r4c h GLU 21 N 2.62 -0.42 -0.65 1.61 4.81 -1.89 -1.95 114.58 118.71 1r4c h GLU 21 Ca -0.48 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 1r4c h GLU 21 Cb 1.22 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 1r4c h GLU 21 CO 0.63 -0.28 0.26 0.78 -0.73 0.00 0.00 179.01 179.67 1r4c h GLY 22 N -0.44 0.93 0.96 1.92 0.00 -1.96 -0.95 103.07 103.54 1r4c h GLY 22 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1r4c h GLY 22 CO 0.03 -0.01 0.10 -2.08 0.00 0.00 0.00 176.54 174.58 1r4c h VAL 23 N 0.45 1.08 -0.82 4.60 2.07 -1.82 0.31 116.25 122.12 1r4c h VAL 23 Ca 0.33 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1r4c h VAL 23 Cb 0.41 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1r4c h VAL 23 CO -0.31 0.08 0.52 -0.09 0.02 0.00 0.00 177.57 177.79 1r4c h ARG 24 N 0.19 1.09 -0.32 1.57 2.43 -0.99 -0.05 114.38 118.31 1r4c h ARG 24 Ca 0.06 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1r4c h ARG 24 Cb 0.04 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1r4c h ARG 24 CO -0.01 0.74 -0.26 0.00 -1.51 0.00 0.00 179.97 178.93 1r4c h ARG 25 N 1.11 0.74 -0.78 0.20 3.08 -0.80 -1.47 114.38 116.47 1r4c h ARG 25 Ca 0.30 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1r4c h ARG 25 Cb -0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1r4c h ARG 25 CO -0.06 0.98 0.43 0.00 -1.07 0.00 0.00 179.97 180.25 1r4c h ALA 26 N 0.74 0.99 -0.13 0.04 0.00 0.00 0.11 119.26 121.01 1r4c h ALA 26 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r4c h ALA 26 Cb 0.82 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1r4c h ALA 26 CO 0.07 0.50 0.07 1.25 0.00 0.00 0.00 179.25 181.14 1r4c h LEU 27 N 1.07 0.15 -0.47 0.00 5.85 -0.81 0.11 115.31 121.21 1r4c h LEU 27 Ca 0.27 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1r4c h LEU 27 Cb 0.02 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1r4c h LEU 27 CO -0.04 0.17 0.22 0.44 -0.34 0.00 0.00 178.44 178.88 1r4c h ASP 28 N 0.13 0.62 -0.97 1.25 3.32 -1.08 0.41 116.42 120.10 1r4c h ASP 28 Ca 0.05 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1r4c h ASP 28 Cb 0.04 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.37 1r4c h ASP 28 CO -0.01 0.59 0.63 0.15 -1.72 0.00 0.00 179.24 178.88 1r4c h PHE 29 N 0.62 1.19 -0.10 4.55 3.57 -0.50 -0.61 116.94 125.66 1r4c h PHE 29 Ca 0.16 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1r4c h PHE 29 Cb 0.13 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1r4c h PHE 29 CO -0.01 0.68 -0.15 0.00 -2.23 0.00 0.00 178.31 176.60 1r4c h ALA 30 N 1.40 0.15 -0.79 2.41 0.00 0.15 -1.08 119.26 121.49 1r4c h ALA 30 Ca 0.39 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1r4c h ALA 30 Cb 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1r4c h ALA 30 CO -0.13 0.05 0.50 0.28 0.00 0.00 0.00 179.25 179.95 1r4c h VAL 31 N -0.15 1.08 0.09 0.00 2.07 -0.84 0.11 116.25 118.61 1r4c h VAL 31 Ca 0.01 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1r4c h VAL 31 Cb 0.72 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1r4c h VAL 31 CO 0.04 0.17 -0.12 1.23 0.02 0.00 0.00 177.57 178.91 1r4c h GLY 32 N 0.94 -0.23 1.14 2.17 0.00 -0.96 0.11 103.07 106.25 1r4c h GLY 32 Ca 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1r4c h GLY 32 CO -0.14 -0.12 0.43 -2.09 0.00 0.00 0.00 176.54 174.62 1r4c h GLU 33 N -0.25 1.13 -0.34 4.80 4.57 -0.75 0.18 114.58 123.92 1r4c h GLU 33 Ca 0.01 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1r4c h GLU 33 Cb 0.26 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1r4c h GLU 33 CO -0.06 0.83 0.18 -0.92 -1.18 0.00 0.00 179.01 177.86 1r4c h TYR 34 N 1.13 0.47 -0.53 0.92 3.20 -0.23 -0.81 116.97 121.13 1r4c h TYR 34 Ca 0.28 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1r4c h TYR 34 Cb 0.04 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1r4c h TYR 34 CO 0.01 0.39 0.26 -0.91 -1.64 0.00 0.00 178.16 176.27 1r4c h ASN 35 N 0.42 0.69 -1.00 -2.11 2.35 -0.26 -1.82 115.58 113.84 1r4c h ASN 35 Ca 0.12 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1r4c h ASN 35 Cb 0.08 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 1r4c h ASN 35 CO -0.02 0.62 0.66 0.50 -1.65 0.00 0.00 177.43 177.54 1r4c h LYS 36 N 0.71 1.31 0.00 0.81 3.64 -0.74 -2.23 116.57 120.08 1r4c h LYS 36 Ca 0.18 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1r4c h LYS 36 Cb 0.11 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1r4c h LYS 36 CO -0.02 0.87 -0.05 0.00 -2.27 0.00 0.00 179.45 177.97 1r4c h ALA 37 N 1.38 0.97 -2.29 5.00 0.00 -0.95 -3.46 119.26 119.91 1r4c h ALA 37 Ca 0.37 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.79 1r4c h ALA 37 Cb -0.15 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.69 1r4c h ALA 37 CO -0.08 0.00 0.38 -1.54 0.00 0.00 0.00 179.25 178.01 1r4c s SER 38 N -5.58 6.10 -0.44 0.00 1.04 -0.70 -4.93 113.70 109.19 1r4c s SER 38 Ca 0.08 1.72 0.03 0.00 0.48 0.00 0.00 55.95 58.26 1r4c s SER 38 Cb 0.08 -2.52 0.60 0.00 0.10 0.00 0.00 66.02 64.28 1r4c s SER 38 CO 0.65 -0.95 1.88 -3.20 0.98 0.00 0.00 173.24 172.60 1r4c n ASN 39 N -1.88 4.14 -4.76 7.02 4.05 -1.26 -4.93 115.26 117.64 1r4c n ASN 39 Ca 0.08 -3.52 -0.38 0.00 0.45 0.00 0.00 54.58 51.20 1r4c n ASN 39 Cb 0.53 -0.84 -0.06 0.00 1.23 0.00 0.00 39.78 40.65 1r4c n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1r4c s ASP 40 N -1.19 6.79 0.45 1.20 3.68 -1.26 -4.96 116.67 121.38 1r4c s ASP 40 Ca 0.54 0.94 0.28 0.00 2.13 0.00 0.00 52.55 56.45 1r4c s ASP 40 Cb 0.45 -2.30 0.94 0.00 -1.45 0.00 0.00 42.92 40.56 1r4c s ASP 40 CO 0.09 0.10 1.81 0.00 0.13 0.00 0.00 175.17 177.30 1r4c h MET 41 N 5.97 0.00 -6.22 4.34 -0.00 -1.99 -3.44 114.93 113.60 1r4c h MET 41 Ca -0.44 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 58.68 1r4c h MET 41 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.75 1r4c h MET 41 CO 0.71 0.00 -0.19 0.71 -0.00 0.00 0.00 176.91 178.14 1r4c s TYR 42 N -3.43 3.56 0.16 -0.10 2.02 -1.26 -5.07 117.35 113.22 1r4c s TYR 42 Ca 0.04 0.85 -0.30 0.00 -0.37 0.00 0.00 57.07 57.30 1r4c s TYR 42 Cb 0.08 -2.22 -0.07 0.00 -0.40 0.00 0.00 41.96 39.35 1r4c s TYR 42 CO 0.57 0.45 1.04 -1.58 -1.57 0.00 0.00 175.55 174.46 1r4c s HIS 43 N -1.49 3.70 0.00 2.71 5.65 -1.26 -5.06 115.29 119.54 1r4c s HIS 43 Ca 0.37 1.69 0.01 0.00 0.25 0.00 0.00 55.06 57.39 1r4c s HIS 43 Cb -0.14 -3.17 -0.04 0.00 -1.18 0.00 0.00 32.58 28.05 1r4c s HIS 43 CO 0.19 -0.24 0.01 -1.12 -0.65 0.00 0.00 174.74 172.94 1r4c s SER 44 N -0.13 5.18 0.07 9.88 0.01 -1.26 -5.13 113.70 122.32 1r4c s SER 44 Ca 0.48 -0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.74 1r4c s SER 44 Cb -0.27 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 1r4c s SER 44 CO 0.33 0.27 -0.03 0.00 0.41 0.00 0.00 173.24 174.22 1r4c s ARG 45 N -1.62 0.71 0.13 12.44 1.70 -1.26 -4.92 118.95 126.12 1r4c s ARG 45 Ca 0.20 -1.28 -0.31 0.00 -0.47 0.00 0.00 55.73 53.88 1r4c s ARG 45 Cb -0.12 0.10 -0.10 0.00 -0.57 0.00 0.00 34.95 34.26 1r4c s ARG 45 CO 0.11 -0.10 1.85 0.00 -1.08 0.00 0.00 175.30 176.08 1r4c s ALA 46 N -3.85 3.77 -0.09 7.88 0.00 -1.26 -4.89 121.76 123.31 1r4c s ALA 46 Ca 0.10 1.47 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 1r4c s ALA 46 Cb 0.07 -3.77 -0.28 0.00 0.00 0.00 0.00 23.12 19.14 1r4c s ALA 46 CO -0.07 -1.25 0.54 -0.07 0.00 0.00 0.00 175.76 174.91 1r4c h LEU 47 N 8.70 0.45 -7.00 0.00 3.38 -2.06 -3.49 115.31 115.29 1r4c h LEU 47 Ca -0.46 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 56.58 1r4c h LEU 47 Cb 1.22 -0.15 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1r4c h LEU 47 CO 0.95 1.71 0.24 0.00 0.09 0.00 0.00 178.44 181.43 1r4c s GLN 48 N -2.52 1.02 -0.36 1.13 -2.07 -1.26 -5.12 119.66 110.47 1r4c s GLN 48 Ca -0.19 0.18 -0.13 0.00 -1.82 0.00 0.00 55.36 53.40 1r4c s GLN 48 Cb 0.05 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1r4c s GLN 48 CO 0.79 -0.33 0.24 0.08 -1.32 0.00 0.00 175.29 174.75 1r4c s VAL 49 N -1.41 5.05 -0.09 3.63 1.01 -1.26 -4.95 120.40 122.38 1r4c s VAL 49 Ca -0.09 -0.50 0.14 0.00 0.00 0.00 0.00 61.98 61.54 1r4c s VAL 49 Cb -0.00 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1r4c s VAL 49 CO 0.07 -0.13 1.11 0.58 0.00 0.00 0.00 175.10 176.73 1r4c h VAL 50 N 5.63 0.84 -1.58 2.92 2.07 -2.03 -3.47 116.25 120.63 1r4c h VAL 50 Ca -0.29 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 64.97 1r4c h VAL 50 Cb 1.13 2.33 -0.27 0.00 -1.52 0.00 0.00 31.29 32.97 1r4c h VAL 50 CO 0.67 0.48 0.40 -0.60 0.02 0.00 0.00 177.57 178.54 1r4c s ARG 51 N -2.88 0.44 -0.05 1.57 3.52 -1.26 -5.16 118.95 115.13 1r4c s ARG 51 Ca 0.00 0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 56.24 1r4c s ARG 51 Cb 0.08 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1r4c s ARG 51 CO 0.79 -0.08 0.06 0.00 -0.81 0.00 0.00 175.30 175.26 1r4c s ALA 52 N 0.94 0.27 0.15 6.12 0.00 -1.26 -5.11 121.76 122.87 1r4c s ALA 52 Ca -0.04 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1r4c s ALA 52 Cb -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1r4c s ALA 52 CO -0.12 -0.53 -0.15 1.03 0.00 0.00 0.00 175.76 175.99 1r4c s ARG 53 N 2.16 1.14 0.04 0.00 1.81 -1.26 -0.71 118.95 122.13 1r4c s ARG 53 Ca 0.05 -1.35 -0.01 0.00 -1.72 0.00 0.00 55.73 52.70 1r4c s ARG 53 Cb -0.12 -1.05 -0.04 0.00 -0.45 0.00 0.00 34.95 33.29 1r4c s ARG 53 CO -0.04 0.20 -0.03 -1.59 -0.68 0.00 0.00 175.30 173.16 1r4c s LYS 54 N -2.90 0.55 -0.22 3.54 -2.85 0.49 -4.83 119.74 113.51 1r4c s LYS 54 Ca 0.13 -1.09 -0.13 0.00 -1.00 0.00 0.00 55.97 53.88 1r4c s LYS 54 Cb -0.04 0.18 0.07 0.00 -2.06 0.00 0.00 37.83 35.98 1r4c s LYS 54 CO 0.04 -0.09 0.55 -1.14 0.10 0.00 0.00 175.35 174.81 1r4c s GLN 55 N -3.40 0.55 -0.04 1.78 0.74 -1.26 -0.64 119.66 117.39 1r4c s GLN 55 Ca 0.02 0.99 -0.17 0.00 0.05 0.00 0.00 55.36 56.25 1r4c s GLN 55 Cb 0.04 0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1r4c s GLN 55 CO -0.08 -0.15 0.47 -1.50 -0.55 0.00 0.00 175.29 173.48 1r4c s ILE 56 N 1.45 5.04 0.05 -2.34 2.07 -1.26 -5.06 121.20 121.15 1r4c s ILE 56 Ca -0.09 0.97 0.02 0.00 -1.41 0.00 0.00 60.65 60.13 1r4c s ILE 56 Cb -0.07 -3.80 -0.03 0.00 0.13 0.00 0.00 42.46 38.70 1r4c s ILE 56 CO -0.15 0.46 -0.07 0.68 -1.91 0.00 0.00 174.94 173.94 1r4c s VAL 57 N -0.30 0.51 0.06 4.00 -7.23 -1.26 -5.10 120.40 111.08 1r4c s VAL 57 Ca 0.26 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 1r4c s VAL 57 Cb -0.17 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 1r4c s VAL 57 CO 0.13 -0.45 -0.09 0.00 -0.31 0.00 0.00 175.10 174.38 1r4c s ALA 58 N -1.67 0.78 0.20 1.32 0.00 -1.26 -5.15 121.76 115.99 1r4c s ALA 58 Ca -0.08 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1r4c s ALA 58 Cb -0.08 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.14 1r4c s ALA 58 CO -0.00 -0.04 0.66 0.41 0.00 0.00 0.00 175.76 176.78 1r4c n GLY 59 N 1.05 1.01 3.08 0.00 0.00 -1.26 -4.88 105.19 104.18 1r4c n GLY 59 Ca -0.20 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.27 1.67 0.01 1.61 1.01 -0.39 -4.98 120.40 117.06 1r4c s VAL 60 Ca 0.14 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1r4c s VAL 60 Cb -0.03 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1r4c s VAL 60 CO 0.06 0.48 0.76 0.20 0.00 0.00 0.00 175.10 176.59 1r4c s ASN 61 N 1.09 7.15 -0.19 3.32 0.01 -1.26 -0.85 114.94 124.21 1r4c s ASN 61 Ca -0.03 1.38 -0.03 0.00 -0.71 0.00 0.00 52.86 53.46 1r4c s ASN 61 Cb -0.14 -2.46 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1r4c s ASN 61 CO -0.05 -0.04 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.15 1r4c s TYR 62 N 0.25 2.96 -0.38 2.20 2.02 0.70 -4.96 117.35 120.13 1r4c s TYR 62 Ca 0.39 -0.68 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 1r4c s TYR 62 Cb -0.20 -2.03 0.07 0.00 -0.40 0.00 0.00 41.96 39.41 1r4c s TYR 62 CO 0.22 -0.34 0.18 -0.06 -1.57 0.00 0.00 175.55 173.98 1r4c s PHE 63 N 0.98 3.35 -0.22 2.71 0.08 -1.26 -0.85 117.98 122.77 1r4c s PHE 63 Ca -0.00 -1.68 -0.03 0.00 0.12 0.00 0.00 56.93 55.34 1r4c s PHE 63 Cb -0.15 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1r4c s PHE 63 CO 0.01 -0.83 -0.08 -0.51 -0.10 0.00 0.00 175.22 173.71 1r4c s LEU 64 N 1.35 2.81 -0.28 -0.37 1.43 -0.10 -4.98 118.68 118.54 1r4c s LEU 64 Ca 0.02 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1r4c s LEU 64 Cb -0.22 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1r4c s LEU 64 CO 0.01 -0.04 0.25 -1.81 0.23 0.00 0.00 176.35 174.99 1r4c s ASP 65 N 1.41 6.09 -0.06 2.29 1.01 -1.26 -0.56 116.67 125.59 1r4c s ASP 65 Ca 0.05 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.34 1r4c s ASP 65 Cb -0.14 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1r4c s ASP 65 CO -0.05 -0.11 -0.05 -0.69 0.21 0.00 0.00 175.17 174.48 1r4c s VAL 66 N 1.85 0.65 -0.26 -1.27 1.01 0.63 -4.99 120.40 118.02 1r4c s VAL 66 Ca 0.09 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1r4c s VAL 66 Cb -0.16 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1r4c s VAL 66 CO 0.11 0.27 0.75 -0.70 0.00 0.00 0.00 175.10 175.53 1r4c s GLU 67 N 1.22 4.11 0.16 2.72 2.12 -1.26 -0.39 118.70 127.37 1r4c s GLU 67 Ca -0.06 0.73 0.05 0.00 0.36 0.00 0.00 54.97 56.05 1r4c s GLU 67 Cb -0.14 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 1r4c s GLU 67 CO -0.02 -0.52 0.15 -0.51 -0.54 0.00 0.00 175.26 173.83 1r4c s LEU 68 N 2.75 3.87 0.02 2.70 1.43 0.61 -4.96 118.68 125.10 1r4c s LEU 68 Ca 0.31 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1r4c s LEU 68 Cb -0.15 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1r4c s LEU 68 CO 0.09 0.07 -0.07 -0.83 0.23 0.00 0.00 176.35 175.84 1r4c s GLY 69 N -3.07 0.43 -0.10 -3.19 0.00 -1.26 -1.56 107.32 98.57 1r4c s GLY 69 Ca 0.31 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 1r4c s GLY 69 CO 0.24 -0.56 1.24 -1.60 0.00 0.00 0.00 173.10 172.42 1r4c s ARG 70 N -0.94 4.30 0.51 2.90 3.52 -1.08 -4.96 118.95 123.19 1r4c s ARG 70 Ca -0.04 1.69 0.03 0.00 -0.13 0.00 0.00 55.73 57.27 1r4c s ARG 70 Cb -0.07 -3.65 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1r4c s ARG 70 CO 0.00 -0.57 0.72 0.95 -0.81 0.00 0.00 175.30 175.59 1r4c s THR 71 N 2.77 2.90 -1.19 4.11 -4.23 -1.26 -0.66 115.64 118.08 1r4c s THR 71 Ca 0.56 -0.72 0.29 0.00 -1.18 0.00 0.00 61.69 60.64 1r4c s THR 71 Cb -0.24 -3.06 0.36 0.00 1.34 0.00 0.00 72.50 70.90 1r4c s THR 71 CO 0.19 -0.04 1.96 0.35 -0.54 0.00 0.00 174.62 176.54 1r4c n THR 72 N -2.21 0.04 -2.91 3.99 -2.24 -0.07 -4.63 114.28 106.25 1r4c n THR 72 Ca 0.07 0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 1r4c n THR 72 Cb 0.59 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.06 3.92 -1.47 0.00 -4.23 -1.26 -4.92 115.64 107.73 1r4c s THR 74 Ca 0.41 0.62 0.15 0.00 -1.18 0.00 0.00 61.69 61.69 1r4c s THR 74 Cb -0.21 -3.59 0.27 0.00 1.34 0.00 0.00 72.50 70.31 1r4c s THR 74 CO 0.25 -0.82 1.39 0.29 -0.54 0.00 0.00 174.62 175.19 1r4c n LYS 75 N -2.95 0.23 -1.17 3.99 5.02 -1.26 -2.82 118.16 119.20 1r4c n LYS 75 Ca 0.07 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 1r4c n LYS 75 Cb 0.56 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.24 1r4c n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r4c n THR 76 N -1.26 3.10 -3.85 -0.18 -2.24 -1.26 -4.94 114.28 103.64 1r4c n THR 76 Ca 0.07 -2.25 -0.11 0.00 -2.27 0.00 0.00 64.05 59.50 1r4c n THR 76 Cb 0.11 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.35 0.60 0.00 -0.78 -2.07 -1.13 -5.16 119.66 107.78 1r4c s GLN 77 Ca 0.55 -0.52 0.00 0.00 -1.82 0.00 0.00 55.36 53.57 1r4c s GLN 77 Cb 0.47 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.64 1r4c s GLN 77 CO 0.07 -0.16 0.31 -2.30 -1.32 0.00 0.00 175.29 171.89 1r4c n PRO 78 N 1.03 0.00 -3.18 9.60 -0.02 -1.26 -4.86 135.00 136.31 1r4c n PRO 78 Ca -0.21 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 1r4c n PRO 78 Cb 0.57 -0.81 -0.07 0.00 -0.02 0.00 0.00 33.50 33.17 1r4c n PRO 78 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1r4c s ASN 79 N -2.86 6.38 0.00 2.55 0.01 -1.26 -4.85 114.94 114.91 1r4c s ASN 79 Ca 0.00 0.11 0.25 0.00 -0.71 0.00 0.00 52.86 52.51 1r4c s ASN 79 Cb 0.00 -2.30 1.24 0.00 0.41 0.00 0.00 41.25 40.60 1r4c s ASN 79 CO 0.00 -0.51 1.84 0.00 -1.51 0.00 0.00 177.10 176.91 1r4c n LEU 80 N 5.86 0.00 0.11 0.60 -0.00 -1.26 -1.68 117.00 120.63 1r4c n LEU 80 Ca -0.03 0.32 0.01 0.00 -0.00 0.00 0.00 56.01 56.31 1r4c n LEU 80 Cb 0.49 -0.32 0.33 0.00 -0.00 0.00 0.00 43.42 43.92 1r4c n LEU 80 CO 0.46 -0.05 0.81 0.44 -0.00 0.00 0.00 177.39 179.05 1r4c h ASP 81 N 0.00 0.24 -2.48 1.45 3.45 -2.01 -3.31 116.42 113.75 1r4c h ASP 81 Ca 0.00 -0.06 -0.59 0.00 0.43 0.00 0.00 57.03 56.80 1r4c h ASP 81 Cb 0.27 -0.06 -0.39 0.00 -0.56 0.00 0.00 39.33 38.59 1r4c h ASP 81 CO 0.00 0.47 -0.92 0.21 -1.57 0.00 0.00 179.24 177.43 1r4c s ASN 82 N -6.87 1.95 -0.35 6.45 2.47 -0.68 -5.05 114.94 112.85 1r4c s ASN 82 Ca -0.05 -2.99 0.00 0.00 0.42 0.00 0.00 52.86 50.24 1r4c s ASN 82 Cb 0.15 -0.53 0.12 0.00 -1.45 0.00 0.00 41.25 39.53 1r4c s ASN 82 CO 0.75 -0.19 0.16 0.00 -3.72 0.00 0.00 177.10 174.10 1r4c s PRO 84 N 1.19 3.31 0.36 0.00 0.02 -1.26 -4.74 135.00 133.88 1r4c s PRO 84 Ca 0.13 2.14 -0.27 0.00 0.02 0.00 0.00 61.00 63.03 1r4c s PRO 84 Cb -0.20 -2.31 -0.09 0.00 0.02 0.00 0.00 34.50 31.91 1r4c s PRO 84 CO -0.15 -1.03 1.24 -0.06 -0.33 0.00 0.00 177.00 176.67 1r4c s PHE 85 N -1.35 3.07 0.46 6.54 0.08 -1.26 -0.89 117.98 124.63 1r4c s PHE 85 Ca 0.69 1.49 -0.24 0.00 0.12 0.00 0.00 56.93 59.00 1r4c s PHE 85 Cb -0.38 -3.54 -0.09 0.00 -0.57 0.00 0.00 43.02 38.45 1r4c s PHE 85 CO 0.45 -1.58 1.21 0.72 -0.10 0.00 0.00 175.22 175.93 1r4c n HIS 86 N 0.46 1.88 -0.00 0.36 8.25 0.16 -4.71 115.22 121.62 1r4c n HIS 86 Ca 0.02 0.49 -0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1r4c n HIS 86 Cb 0.44 -2.33 -0.01 0.00 1.12 0.00 0.00 29.99 29.22 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 -0.05 4.83 -4.77 0.41 2.03 -1.26 -4.76 116.55 112.99 1r4c n ASP 87 Ca 0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.00 1r4c n ASP 87 Cb 0.41 0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 41.49 1r4c n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r4c s GLN 88 N -2.03 4.39 0.28 -0.67 -2.07 -1.26 -4.87 119.66 113.43 1r4c s GLN 88 Ca -0.00 1.84 -0.01 0.00 -1.82 0.00 0.00 55.36 55.37 1r4c s GLN 88 Cb 0.00 -2.96 0.63 0.00 -1.09 0.00 0.00 33.01 29.59 1r4c s GLN 88 CO 0.03 -0.03 1.61 -1.35 -1.32 0.00 0.00 175.29 174.23 1r4c h PRO 89 N 3.29 0.09 -0.34 9.60 0.11 -1.97 -2.19 132.00 140.59 1r4c h PRO 89 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r4c h PRO 89 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r4c h PRO 89 CO 0.65 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 179.22 1r4c n HIS 90 N -5.37 0.45 0.32 0.65 8.25 -1.26 -3.76 115.22 114.50 1r4c n HIS 90 Ca 0.19 -0.22 0.05 0.00 -0.26 0.00 0.00 57.72 57.48 1r4c n HIS 90 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 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 0.93 0.32 -4.72 2.41 4.77 -0.87 -4.99 117.00 114.85 1r4c n LEU 91 Ca 0.18 -0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 1r4c n LEU 91 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1r4c n LEU 91 CO 0.14 0.08 0.76 -1.59 -1.33 0.00 0.00 177.39 175.45 1r4c s LYS 92 N -2.34 4.57 -0.10 3.23 -2.85 -0.91 -4.88 119.74 116.46 1r4c s LYS 92 Ca 0.01 1.61 -0.06 0.00 -1.00 0.00 0.00 55.97 56.54 1r4c s LYS 92 Cb 0.08 -3.35 0.04 0.00 -2.06 0.00 0.00 37.83 32.54 1r4c s LYS 92 CO 0.46 0.00 0.24 1.03 0.10 0.00 0.00 175.35 177.18 1r4c s ARG 93 N 0.33 0.21 -0.03 1.78 1.81 -1.26 -5.04 118.95 116.76 1r4c s ARG 93 Ca 0.52 0.48 0.07 0.00 -1.72 0.00 0.00 55.73 55.07 1r4c s ARG 93 Cb -0.26 -0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.14 1r4c s ARG 93 CO 0.31 -0.14 -0.24 0.15 -0.68 0.00 0.00 175.30 174.70 1r4c s LYS 94 N 1.04 2.02 -0.03 3.54 1.02 -1.26 -2.64 119.74 123.44 1r4c s LYS 94 Ca -0.08 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.08 1r4c s LYS 94 Cb -0.09 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1r4c s LYS 94 CO -0.07 0.48 -0.05 0.00 -0.92 0.00 0.00 175.35 174.79 1r4c s ALA 95 N -0.46 0.59 -0.36 5.17 0.00 -0.60 -3.07 121.76 123.02 1r4c s ALA 95 Ca 0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1r4c s ALA 95 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1r4c s ALA 95 CO -0.00 0.04 0.28 -0.06 0.00 0.00 0.00 175.76 176.03 1r4c s PHE 96 N 0.51 3.23 0.07 0.00 0.40 0.08 -0.28 117.98 121.99 1r4c s PHE 96 Ca -0.06 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 1r4c s PHE 96 Cb -0.10 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.84 1r4c s PHE 96 CO -0.00 -0.45 -0.09 0.00 0.70 0.00 0.00 175.22 175.38 1r4c s SER 98 N -1.89 3.86 -0.05 0.00 0.01 -0.07 -0.27 113.70 115.29 1r4c s SER 98 Ca 0.20 -0.96 0.05 0.00 1.31 0.00 0.00 55.95 56.55 1r4c s SER 98 Cb -0.11 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1r4c s SER 98 CO 0.11 -0.09 -0.20 -0.36 0.41 0.00 0.00 173.24 173.10 1r4c s PHE 99 N 1.23 2.54 -0.24 2.43 0.08 0.28 -2.19 117.98 122.11 1r4c s PHE 99 Ca -0.01 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1r4c s PHE 99 Cb -0.16 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1r4c s PHE 99 CO -0.08 -0.04 -0.09 -1.14 -0.10 0.00 0.00 175.22 173.76 1r4c s GLN 100 N -0.39 2.68 -0.19 0.44 0.74 -0.44 -0.92 119.66 121.57 1r4c s GLN 100 Ca 0.04 -1.07 -0.05 0.00 0.05 0.00 0.00 55.36 54.33 1r4c s GLN 100 Cb -0.12 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 1r4c s GLN 100 CO 0.02 -0.43 -0.01 0.42 -0.55 0.00 0.00 175.29 174.74 1r4c s ILE 101 N 1.26 3.96 -0.37 -2.34 1.09 -0.03 -0.28 121.20 124.49 1r4c s ILE 101 Ca -0.02 -0.32 -0.14 0.00 -1.10 0.00 0.00 60.65 59.07 1r4c s ILE 101 Cb -0.17 -2.78 -0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1r4c s ILE 101 CO -0.06 0.45 0.29 -0.47 -0.10 0.00 0.00 174.94 175.04 1r4c s TYR 102 N 0.81 3.23 0.01 3.97 5.04 0.05 -0.21 117.35 130.24 1r4c s TYR 102 Ca 0.00 -0.31 0.06 0.00 -2.44 0.00 0.00 57.07 54.38 1r4c s TYR 102 Cb -0.14 -2.56 -0.03 0.00 0.35 0.00 0.00 41.96 39.58 1r4c s TYR 102 CO 0.02 -0.46 -0.17 0.00 -1.34 0.00 0.00 175.55 173.60 1r4c s ALA 103 N 1.77 2.62 -0.46 3.97 0.00 -0.03 -1.49 121.76 128.13 1r4c s ALA 103 Ca 0.07 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1r4c s ALA 103 Cb -0.18 -0.81 0.13 0.00 0.00 0.00 0.00 23.12 22.26 1r4c s ALA 103 CO 0.11 0.57 0.22 0.14 0.00 0.00 0.00 175.76 176.80 1r4c s VAL 104 N -0.86 2.05 0.18 0.00 -7.23 -0.90 -1.27 120.40 112.37 1r4c s VAL 104 Ca 0.14 -2.86 -0.13 0.00 -1.81 0.00 0.00 61.98 57.32 1r4c s VAL 104 Cb -0.11 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.48 1r4c s VAL 104 CO 0.04 -0.81 1.78 -0.65 -0.31 0.00 0.00 175.10 175.15 1r4c h PRO 105 N 6.77 0.45 0.00 4.82 0.11 -1.93 0.18 132.00 142.40 1r4c h PRO 105 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1r4c h PRO 105 Cb 0.92 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1r4c h PRO 105 CO 0.59 0.30 0.00 -2.67 -0.21 0.00 0.00 178.00 176.00 1r4c n TRP 106 N -4.92 0.00 -0.01 0.65 2.14 -1.26 -1.27 117.44 112.77 1r4c n TRP 106 Ca 0.05 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.62 1r4c n TRP 106 Cb 0.15 -0.27 -0.05 0.00 -0.81 0.00 0.00 31.31 30.34 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 -1.27 1.37 -2.85 -2.67 6.02 -0.32 -5.05 117.38 112.61 1r4c n GLN 107 Ca 0.04 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1r4c n GLN 107 Cb 0.06 -1.14 0.05 0.00 1.02 0.00 0.00 30.24 30.23 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 2.36 -0.05 3.19 1.08 0.00 0.48 -5.06 105.19 107.18 1r4c n GLY 108 Ca -0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.22 0.95 -0.02 2.61 -4.23 -1.18 -5.03 115.64 105.53 1r4c s THR 109 Ca 0.01 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1r4c s THR 109 Cb -0.00 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1r4c s THR 109 CO 0.44 -0.62 0.09 -0.04 -0.54 0.00 0.00 174.62 173.95 1r4c s MET 110 N -3.05 0.23 0.03 3.99 -1.94 -1.26 -2.13 119.30 115.17 1r4c s MET 110 Ca 0.08 -0.10 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 1r4c s MET 110 Cb -0.01 0.10 -0.02 0.00 2.01 0.00 0.00 34.83 36.91 1r4c s MET 110 CO -0.00 -0.04 -0.12 0.99 -0.01 0.00 0.00 175.02 175.83 1r4c s THR 111 N -0.52 0.94 -0.45 2.05 2.01 -0.56 -4.99 115.64 114.13 1r4c s THR 111 Ca -0.06 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 1r4c s THR 111 Cb -0.04 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1r4c s THR 111 CO 0.00 0.01 0.70 -0.22 -0.69 0.00 0.00 174.62 174.42 1r4c s LEU 112 N -0.94 4.45 -0.00 4.42 2.96 -1.26 -0.77 118.68 127.53 1r4c s LEU 112 Ca 0.01 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 1r4c s LEU 112 Cb -0.07 -2.78 -0.32 0.00 0.50 0.00 0.00 46.19 43.52 1r4c s LEU 112 CO 0.01 -0.85 0.86 0.28 -1.32 0.00 0.00 176.35 175.33 1r4c h SER 113 N 8.94 0.68 -5.08 3.68 0.02 -1.01 -3.48 113.55 117.30 1r4c h SER 113 Ca -0.25 -0.85 -0.13 0.00 -0.84 0.00 0.00 61.79 59.72 1r4c h SER 113 Cb 1.09 -0.22 -0.18 0.00 0.14 0.00 0.00 62.40 63.23 1r4c h SER 113 CO 0.93 1.69 -0.52 -0.54 -1.14 0.00 0.00 176.83 177.25 1r4c s LYS 114 N -2.60 0.59 -0.30 3.45 -0.14 -1.15 -4.98 119.74 114.61 1r4c s LYS 114 Ca -0.11 -0.74 -0.13 0.00 -1.36 0.00 0.00 55.97 53.62 1r4c s LYS 114 Cb 0.05 0.23 0.16 0.00 -1.68 0.00 0.00 37.83 36.59 1r4c s LYS 114 CO 0.90 -0.15 0.92 0.45 -0.76 0.00 0.00 175.35 176.71 1r4c s SER 115 N -2.11 -0.70 0.02 2.83 0.15 -1.25 -1.33 113.70 111.30 1r4c s SER 115 Ca -0.05 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.50 1r4c s SER 115 Cb -0.01 1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 66.05 1r4c s SER 115 CO -0.04 -0.13 -0.04 0.42 1.20 0.00 0.00 173.24 174.64 1r4c s THR 116 N 2.59 0.28 0.05 6.45 -4.23 -0.93 -5.00 115.64 114.84 1r4c s THR 116 Ca -0.02 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1r4c s THR 116 Cb -0.08 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.39 1r4c s THR 116 CO -0.17 -0.27 -0.08 0.00 -0.54 0.00 0.00 174.62 173.55 1r4c s GLN 118 N -1.91 0.18 0.97 0.00 -2.07 -0.25 -4.97 119.66 111.61 1r4c s GLN 118 Ca -0.06 -0.35 -0.12 0.00 -1.82 0.00 0.00 55.36 53.01 1r4c s GLN 118 Cb -0.08 0.06 0.17 0.00 -1.09 0.00 0.00 33.01 32.08 1r4c s GLN 118 CO -0.00 -0.03 1.09 -0.51 -1.32 0.00 0.00 175.29 174.52 1r4c s ASP 119 N -0.83 2.79 0.00 12.60 -0.00 -1.26 -0.74 116.67 129.23 1r4c s ASP 119 Ca -0.09 1.35 0.00 0.00 -0.00 0.00 0.00 52.55 53.81 1r4c s ASP 119 Cb -0.06 -2.02 0.00 0.00 -0.00 0.00 0.00 42.92 40.84 1r4c s ASP 119 CO -0.01 -3.05 0.00 0.00 -0.00 0.00 0.00 175.17 172.11