#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jig n GLU 37 N 0.00 2.53 -5.01 3.44 4.71 -1.26 -4.10 120.64 120.94 2jig n GLU 37 Ca 0.00 0.89 -0.32 0.00 -0.01 0.00 0.00 57.16 57.72 2jig n GLU 37 Cb 0.00 -2.59 -0.14 0.00 -1.01 0.00 0.00 31.44 27.70 2jig n GLU 37 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 2jig s TRP 38 N -0.90 2.61 -0.18 -0.32 -0.00 -1.26 -5.08 118.94 113.82 2jig s TRP 38 Ca 0.56 -0.39 0.01 0.00 -0.00 0.00 0.00 56.10 56.28 2jig s TRP 38 Cb -0.51 -1.64 0.03 0.00 -0.00 0.00 0.00 33.47 31.35 2jig s TRP 38 CO 0.61 0.01 -0.15 0.50 -0.00 0.00 0.00 176.95 177.92 2jig s ARG 39 N -0.43 2.42 0.11 5.86 3.52 -1.26 -5.03 118.95 124.14 2jig s ARG 39 Ca 0.05 -0.77 -0.21 0.00 -0.13 0.00 0.00 55.73 54.67 2jig s ARG 39 Cb -0.12 -2.37 0.07 0.00 -1.56 0.00 0.00 34.95 30.97 2jig s ARG 39 CO 0.02 -0.30 0.99 0.41 -0.81 0.00 0.00 175.30 175.60 2jig n GLY 40 N 4.68 0.55 3.69 8.12 0.00 -1.26 -5.10 105.19 115.87 2jig n GLY 40 Ca -0.17 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2jig n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jig s GLU 41 N -2.04 4.44 -0.18 1.61 2.12 -1.26 -4.94 118.70 118.45 2jig s GLU 41 Ca 0.22 1.46 -0.04 0.00 0.36 0.00 0.00 54.97 56.98 2jig s GLU 41 Cb -0.02 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 2jig s GLU 41 CO 0.03 -0.28 -0.03 0.08 -0.54 0.00 0.00 175.26 174.52 2jig s VAL 42 N 1.80 3.75 -0.29 3.70 1.01 -1.26 -0.41 120.40 128.70 2jig s VAL 42 Ca 0.51 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2jig s VAL 42 Cb -0.20 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2jig s VAL 42 CO 0.21 0.46 0.17 -0.69 0.00 0.00 0.00 175.10 175.25 2jig s VAL 43 N 0.82 5.00 -0.04 2.92 1.01 0.12 -4.93 120.40 125.30 2jig s VAL 43 Ca -0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 2jig s VAL 43 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2jig s VAL 43 CO 0.02 0.18 1.34 -2.28 0.00 0.00 0.00 175.10 174.36 2jig s HIS 44 N 1.70 2.89 -0.25 5.22 5.65 -1.26 0.16 115.29 129.40 2jig s HIS 44 Ca 0.06 0.91 0.02 0.00 0.25 0.00 0.00 55.06 56.31 2jig s HIS 44 Cb -0.16 -3.59 -0.18 0.00 -1.18 0.00 0.00 32.58 27.47 2jig s HIS 44 CO 0.09 -2.12 -0.19 1.28 -0.65 0.00 0.00 174.74 173.15 2jig n LEU 45 N 5.60 2.84 -3.51 8.88 4.77 -0.16 -4.94 117.00 130.47 2jig n LEU 45 Ca 0.13 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2jig n LEU 45 Cb 0.44 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 2jig n LEU 45 CO 0.57 0.92 0.57 -0.55 -1.33 0.00 0.00 177.39 177.57 2jig s SER 46 N -6.50 -0.51 -0.08 -1.43 0.15 -1.07 -4.98 113.70 99.29 2jig s SER 46 Ca -0.33 0.37 0.21 0.00 0.70 0.00 0.00 55.95 56.90 2jig s SER 46 Cb 0.09 0.46 -0.31 0.00 -1.71 0.00 0.00 66.02 64.54 2jig s SER 46 CO 0.62 -0.61 0.37 0.79 1.20 0.00 0.00 173.24 175.61 2jig n TRP 47 N 0.42 0.00 -3.75 3.44 7.02 -1.26 -1.96 117.44 121.34 2jig n TRP 47 Ca -0.14 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.04 2jig n TRP 47 Cb 0.60 -0.63 -0.14 0.00 -2.42 0.00 0.00 31.31 28.71 2jig n TRP 47 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2jig s SER 48 N -4.77 3.93 0.81 -0.99 0.15 -1.26 -2.46 113.70 109.10 2jig s SER 48 Ca -0.08 -2.16 -0.12 0.00 0.70 0.00 0.00 55.95 54.28 2jig s SER 48 Cb 0.12 -1.02 0.08 0.00 -1.71 0.00 0.00 66.02 63.48 2jig s SER 48 CO 0.88 -0.34 1.17 -2.16 1.20 0.00 0.00 173.24 174.00 2jig s PRO 49 N 0.94 2.00 -0.11 5.44 0.04 -1.25 -3.20 135.00 138.85 2jig s PRO 49 Ca 0.14 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 2jig s PRO 49 Cb -0.21 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2jig s PRO 49 CO -0.11 -1.58 1.52 1.03 0.04 0.00 0.00 177.00 177.90 2jig s ARG 50 N -5.56 4.14 -0.07 4.56 0.52 -1.03 -4.45 118.95 117.07 2jig s ARG 50 Ca 0.62 1.94 -0.04 0.00 -0.52 0.00 0.00 55.73 57.73 2jig s ARG 50 Cb -0.11 -3.92 0.03 0.00 0.52 0.00 0.00 34.95 31.47 2jig s ARG 50 CO 0.49 -0.87 0.16 0.00 0.02 0.00 0.00 175.30 175.10 2jig s ALA 51 N 4.03 -0.33 -0.02 2.13 0.00 -0.83 -1.68 121.76 125.07 2jig s ALA 51 Ca 0.67 0.62 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2jig s ALA 51 Cb -0.28 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2jig s ALA 51 CO 0.25 -0.13 -0.01 -0.06 0.00 0.00 0.00 175.76 175.80 2jig s PHE 52 N 0.82 0.32 -0.28 0.00 0.40 0.33 -0.99 117.98 118.58 2jig s PHE 52 Ca -0.06 -0.03 -0.10 0.00 -0.60 0.00 0.00 56.93 56.14 2jig s PHE 52 Cb -0.08 -0.33 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 2jig s PHE 52 CO -0.04 -0.08 0.15 -1.17 0.70 0.00 0.00 175.22 174.77 2jig s LEU 53 N 0.58 3.89 -0.43 -0.37 2.96 0.12 -0.56 118.68 124.87 2jig s LEU 53 Ca -0.06 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 2jig s LEU 53 Cb -0.09 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.60 2jig s LEU 53 CO -0.01 -0.09 0.46 -0.76 -1.32 0.00 0.00 176.35 174.63 2jig s LEU 54 N 1.68 4.92 0.11 -0.68 1.02 0.72 0.13 118.68 126.58 2jig s LEU 54 Ca 0.06 -0.73 -0.30 0.00 0.02 0.00 0.00 54.13 53.18 2jig s LEU 54 Cb -0.16 -2.39 -0.06 0.00 0.02 0.00 0.00 46.19 43.60 2jig s LEU 54 CO 0.08 -0.62 1.11 -0.54 0.02 0.00 0.00 176.35 176.40 2jig s LYS 55 N 2.17 4.54 -1.35 1.70 -0.14 0.45 -1.06 119.74 126.05 2jig s LYS 55 Ca 0.12 1.69 -0.01 0.00 -1.36 0.00 0.00 55.97 56.41 2jig s LYS 55 Cb -0.18 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.66 2jig s LYS 55 CO 0.13 -0.05 0.67 0.09 -0.76 0.00 0.00 175.35 175.43 2jig n ASN 56 N 3.10 -1.34 0.03 2.83 4.13 -1.24 -4.29 115.26 118.48 2jig n ASN 56 Ca 0.05 -0.85 -0.12 0.00 1.68 0.00 0.00 54.58 55.34 2jig n ASN 56 Cb 0.47 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 2jig n ASN 56 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2jig h PHE 57 N -1.88 0.69 -3.59 3.10 3.57 -0.10 -3.44 116.94 115.29 2jig h PHE 57 Ca -0.61 -0.30 -0.67 0.00 3.53 0.00 0.00 57.97 59.92 2jig h PHE 57 Cb 1.36 -0.11 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 2jig h PHE 57 CO 0.48 1.08 -0.75 -0.51 -2.23 0.00 0.00 178.31 176.38 2jig s LEU 58 N -8.10 2.99 0.76 0.59 1.43 -0.44 -5.06 118.68 110.86 2jig s LEU 58 Ca -0.07 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2jig s LEU 58 Cb 0.10 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.58 2jig s LEU 58 CO 0.86 0.18 1.10 -0.94 0.23 0.00 0.00 176.35 177.78 2jig s SER 59 N -2.17 4.88 0.27 2.29 1.04 -1.26 -4.49 113.70 114.26 2jig s SER 59 Ca 0.21 1.22 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 2jig s SER 59 Cb -0.11 -1.97 0.34 0.00 0.10 0.00 0.00 66.02 64.38 2jig s SER 59 CO 0.13 -1.71 1.88 0.44 0.98 0.00 0.00 173.24 174.96 2jig h ASP 60 N -0.91 0.97 -0.67 7.02 3.32 -1.97 -1.87 116.42 122.31 2jig h ASP 60 Ca -0.46 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 2jig h ASP 60 Cb 1.26 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2jig h ASP 60 CO 0.61 0.80 0.39 -0.33 -1.72 0.00 0.00 179.24 178.99 2jig h GLU 61 N 1.07 0.92 -0.60 3.56 3.07 -1.99 -0.71 114.58 119.91 2jig h GLU 61 Ca 0.27 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2jig h GLU 61 Cb 0.07 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2jig h GLU 61 CO -0.04 0.67 0.07 0.93 -1.40 0.00 0.00 179.01 179.24 2jig h GLU 62 N 0.92 1.02 -0.46 2.33 5.08 -1.87 -1.00 114.58 120.59 2jig h GLU 62 Ca 0.24 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jig h GLU 62 Cb -0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2jig h GLU 62 CO -0.04 0.97 0.29 0.00 -1.00 0.00 0.00 179.01 179.23 2jig h ASP 64 N 0.62 1.01 -0.14 0.00 3.32 -1.01 -1.88 116.42 118.35 2jig h ASP 64 Ca 0.17 -0.34 0.03 0.00 0.02 0.00 0.00 57.03 56.91 2jig h ASP 64 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2jig h ASP 64 CO -0.03 1.13 -0.02 0.22 -1.72 0.00 0.00 179.24 178.81 2jig h TYR 65 N 0.90 -0.05 -0.30 4.55 5.03 -0.97 -0.32 116.97 125.80 2jig h TYR 65 Ca 0.14 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 2jig h TYR 65 Cb 0.68 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 2jig h TYR 65 CO 0.04 -0.05 0.11 0.82 -1.32 0.00 0.00 178.16 177.77 2jig h ILE 66 N 0.02 1.19 -0.03 1.81 2.04 -1.23 -0.68 117.51 120.62 2jig h ILE 66 Ca 0.07 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.34 2jig h ILE 66 Cb 0.10 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2jig h ILE 66 CO -0.13 0.20 -0.04 0.58 0.00 0.00 0.00 178.15 178.76 2jig h VAL 67 N 0.33 0.89 -0.19 1.67 2.07 -1.15 0.01 116.25 119.88 2jig h VAL 67 Ca 0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 2jig h VAL 67 Cb 0.21 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2jig h VAL 67 CO -0.01 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.08 2jig h GLU 68 N -0.05 0.33 -0.21 1.57 4.39 -0.99 0.88 114.58 120.50 2jig h GLU 68 Ca 0.03 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 2jig h GLU 68 Cb 0.09 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2jig h GLU 68 CO -0.07 0.50 -0.56 -0.22 -1.16 0.00 0.00 179.01 177.51 2jig h LYS 69 N 0.31 0.63 0.05 2.33 3.64 -0.89 -3.31 116.57 119.33 2jig h LYS 69 Ca 0.06 -0.40 -0.25 0.00 -1.27 0.00 0.00 60.65 58.78 2jig h LYS 69 Cb 0.49 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2jig h LYS 69 CO 0.03 1.02 -1.06 0.00 -2.27 0.00 0.00 179.45 177.17 2jig h ALA 70 N 0.90 0.23 -0.54 5.00 0.00 -0.53 -3.40 119.26 120.92 2jig h ALA 70 Ca 0.01 -0.76 0.11 0.00 0.00 0.00 0.00 54.91 54.27 2jig h ALA 70 Cb 1.12 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2jig h ALA 70 CO 0.11 0.82 -0.20 -0.09 0.00 0.00 0.00 179.25 179.89 2jig h ARG 71 N 0.21 -0.07 0.00 0.00 2.43 -0.93 0.15 114.38 116.17 2jig h ARG 71 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2jig h ARG 71 Cb 1.72 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2jig h ARG 71 CO 0.19 -0.04 0.00 -0.35 -1.51 0.00 0.00 179.97 178.25 2jig n PRO 72 N -5.41 0.08 0.00 0.20 -0.04 -1.26 -3.13 135.00 125.43 2jig n PRO 72 Ca 0.05 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 2jig n PRO 72 Cb 0.32 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 2jig n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jig n LYS 73 N -1.79 0.16 -2.09 0.54 5.02 0.49 -4.99 118.16 115.50 2jig n LYS 73 Ca 0.03 -0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 2jig n LYS 73 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2jig n LYS 73 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2jig s MET 74 N -2.93 4.29 0.06 1.97 -1.94 -1.02 -4.74 119.30 114.99 2jig s MET 74 Ca 0.10 2.18 0.06 0.00 -1.71 0.00 0.00 55.69 56.32 2jig s MET 74 Cb 0.16 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 2jig s MET 74 CO 0.82 -0.46 -0.18 0.14 -0.01 0.00 0.00 175.02 175.34 2jig s VAL 75 N 0.84 1.41 0.32 -6.03 -7.23 -0.70 -4.83 120.40 104.18 2jig s VAL 75 Ca 0.64 -1.21 -0.28 0.00 -1.81 0.00 0.00 61.98 59.32 2jig s VAL 75 Cb -0.39 -1.27 -0.13 0.00 0.56 0.00 0.00 36.38 35.15 2jig s VAL 75 CO 0.33 0.03 1.20 1.17 -0.31 0.00 0.00 175.10 177.53 2jig n LYS 76 N 1.65 1.86 -1.94 4.82 3.00 -1.26 -0.64 118.16 125.65 2jig n LYS 76 Ca -0.18 0.65 -0.42 0.00 -0.00 0.00 0.00 58.31 58.36 2jig n LYS 76 Cb 0.54 -2.17 -0.03 0.00 0.00 0.00 0.00 35.03 33.37 2jig n LYS 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2jig s SER 77 N -0.35 6.60 0.05 3.14 0.01 -0.48 -4.81 113.70 117.87 2jig s SER 77 Ca 0.57 2.54 -0.06 0.00 1.31 0.00 0.00 55.95 60.32 2jig s SER 77 Cb -0.62 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.02 2jig s SER 77 CO 0.61 -0.85 0.11 -0.94 0.41 0.00 0.00 173.24 172.58 2jig s SER 78 N 1.74 0.20 0.10 2.44 1.04 -1.26 -1.31 113.70 116.65 2jig s SER 78 Ca 0.72 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2jig s SER 78 Cb -0.42 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 2jig s SER 78 CO 0.32 -0.59 -0.05 0.68 0.98 0.00 0.00 173.24 174.57 2jig s VAL 79 N -3.16 0.65 -0.23 5.02 -7.23 -0.25 -4.50 120.40 110.71 2jig s VAL 79 Ca -0.00 -1.93 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 2jig s VAL 79 Cb 0.02 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 2jig s VAL 79 CO -0.07 -0.84 0.51 -0.69 -0.31 0.00 0.00 175.10 173.70 2jig s VAL 80 N -3.66 5.10 -0.05 1.32 1.01 -1.26 -0.50 120.40 122.36 2jig s VAL 80 Ca 0.13 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 2jig s VAL 80 Cb 0.06 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2jig s VAL 80 CO -0.04 0.14 1.34 -0.62 0.00 0.00 0.00 175.10 175.92 2jig s ASP 81 N 1.31 6.91 0.10 3.32 2.15 0.62 -4.92 116.67 126.18 2jig s ASP 81 Ca 0.22 1.95 -0.22 0.00 0.43 0.00 0.00 52.55 54.94 2jig s ASP 81 Cb -0.15 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 39.80 2jig s ASP 81 CO 0.09 -0.70 1.74 0.78 -0.17 0.00 0.00 175.17 176.91 2jig h ASN 82 N 7.93 0.01 0.57 -0.34 2.35 -1.96 0.15 115.58 124.29 2jig h ASN 82 Ca -0.35 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 2jig h ASN 82 Cb 1.16 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2jig h ASN 82 CO 0.91 0.02 -0.28 -0.33 -1.65 0.00 0.00 177.43 176.10 2jig h GLU 83 N 0.05 -0.75 0.00 0.81 5.08 -1.98 -3.25 114.58 114.54 2jig h GLU 83 Ca 0.03 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2jig h GLU 83 Cb 0.02 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jig h GLU 83 CO -0.04 -0.50 -0.33 0.66 -1.00 0.00 0.00 179.01 177.80 2jig h SER 84 N -0.78 0.00 -2.94 1.42 4.64 -1.98 -3.47 113.55 110.44 2jig h SER 84 Ca -0.08 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 60.97 2jig h SER 84 Cb 0.60 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.73 2jig h SER 84 CO 0.12 0.01 -0.37 0.61 -0.87 0.00 0.00 176.83 176.33 2jig n GLY 85 N 1.17 -0.06 3.38 -0.77 0.00 0.04 -5.03 105.19 103.91 2jig n GLY 85 Ca 0.03 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2jig n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jig s LYS 86 N -5.25 1.41 0.14 1.61 1.02 -1.21 -4.91 119.74 112.56 2jig s LYS 86 Ca 0.19 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 2jig s LYS 86 Cb -0.08 -1.62 -0.07 0.00 -0.52 0.00 0.00 37.83 35.54 2jig s LYS 86 CO 0.23 0.34 1.01 -1.12 -0.92 0.00 0.00 175.35 174.90 2jig s SER 87 N -2.64 7.42 0.04 2.83 0.01 -1.26 -0.27 113.70 119.83 2jig s SER 87 Ca 0.18 1.92 0.01 0.00 1.31 0.00 0.00 55.95 59.37 2jig s SER 87 Cb -0.07 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2jig s SER 87 CO 0.08 -0.11 -0.05 0.68 0.41 0.00 0.00 173.24 174.25 2jig s VAL 88 N -0.16 0.36 0.24 3.43 -7.23 0.35 -4.90 120.40 112.48 2jig s VAL 88 Ca 0.48 -1.26 -0.31 0.00 -1.81 0.00 0.00 61.98 59.07 2jig s VAL 88 Cb -0.26 -0.79 -0.12 0.00 0.56 0.00 0.00 36.38 35.78 2jig s VAL 88 CO 0.32 -0.59 1.69 0.47 -0.31 0.00 0.00 175.10 176.67 2jig n ASP 89 N 1.08 3.98 -4.76 4.85 8.00 -1.26 -1.09 116.55 127.34 2jig n ASP 89 Ca -0.20 1.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.97 2jig n ASP 89 Cb 0.57 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2jig n ASP 89 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jig n SER 90 N 3.37 3.74 -0.68 -2.24 2.88 -0.42 -4.79 113.62 115.47 2jig n SER 90 Ca 0.13 1.21 0.13 0.00 -1.33 0.00 0.00 58.87 59.01 2jig n SER 90 Cb 0.36 -1.61 0.30 0.00 -0.75 0.00 0.00 64.21 62.51 2jig n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jig n GLU 91 N 0.78 1.88 -0.09 -1.46 1.02 -1.26 -4.54 120.64 116.97 2jig n GLU 91 Ca 0.03 -1.36 -0.20 0.00 -0.02 0.00 0.00 57.16 55.61 2jig n GLU 91 Cb 0.38 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 2jig n GLU 91 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2jig n ILE 92 N 0.63 1.09 -3.83 -3.67 5.41 -1.26 -4.84 119.36 112.90 2jig n ILE 92 Ca 0.16 -0.24 -0.36 0.00 1.00 0.00 0.00 62.75 63.31 2jig n ILE 92 Cb 0.47 -1.79 -0.13 0.00 -0.71 0.00 0.00 39.64 37.48 2jig n ILE 92 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2jig s ARG 93 N -2.38 2.77 0.00 0.38 3.52 -1.26 -0.74 118.95 121.24 2jig s ARG 93 Ca -0.27 -1.06 0.13 0.00 -0.13 0.00 0.00 55.73 54.41 2jig s ARG 93 Cb 0.10 -3.28 0.35 0.00 -1.56 0.00 0.00 34.95 30.56 2jig s ARG 93 CO 0.34 -0.54 1.28 0.25 -0.81 0.00 0.00 175.30 175.83 2jig n THR 94 N 4.76 0.90 -0.90 4.11 -2.24 -0.49 -4.54 114.28 115.89 2jig n THR 94 Ca -0.14 -0.95 -0.28 0.00 -2.27 0.00 0.00 64.05 60.41 2jig n THR 94 Cb 0.46 0.58 0.22 0.00 -2.10 0.00 0.00 70.33 69.48 2jig n THR 94 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jig s SER 95 N -1.02 1.70 0.58 3.42 1.04 -1.25 -4.71 113.70 113.46 2jig s SER 95 Ca 0.28 1.25 -0.06 0.00 0.48 0.00 0.00 55.95 57.90 2jig s SER 95 Cb 0.15 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2jig s SER 95 CO 0.19 -3.72 0.89 0.42 0.98 0.00 0.00 173.24 172.01 2jig s THR 96 N -2.75 3.76 0.05 2.02 -4.23 -0.59 -1.38 115.64 112.53 2jig s THR 96 Ca 0.67 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.95 2jig s THR 96 Cb -0.21 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.20 2jig s THR 96 CO 0.60 -0.50 0.57 -0.83 -0.54 0.00 0.00 174.62 173.92 2jig s GLY 97 N -4.29 -0.50 0.37 3.99 0.00 0.19 -2.01 107.32 105.08 2jig s GLY 97 Ca 0.53 0.71 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 2jig s GLY 97 CO 0.45 0.39 0.63 -1.08 0.00 0.00 0.00 173.10 173.49 2jig s THR 98 N -2.51 0.00 0.03 0.90 -1.32 -0.53 -1.72 115.64 110.50 2jig s THR 98 Ca -0.05 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 2jig s THR 98 Cb -0.01 -2.81 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 2jig s THR 98 CO -0.02 0.00 -0.03 -1.66 -2.21 0.00 0.00 174.62 170.69 2jig s TRP 99 N -2.58 0.36 0.02 9.09 1.48 -1.26 -1.11 118.94 124.94 2jig s TRP 99 Ca 0.24 -0.65 0.07 0.00 -1.06 0.00 0.00 56.10 54.70 2jig s TRP 99 Cb -0.03 -0.26 -0.03 0.00 -1.16 0.00 0.00 33.47 32.00 2jig s TRP 99 CO 0.17 -0.22 -0.19 -0.06 -4.06 0.00 0.00 176.95 172.59 2jig s PHE 100 N -2.02 2.53 0.49 1.66 0.08 -0.07 -4.98 117.98 115.67 2jig s PHE 100 Ca -0.10 -0.28 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 2jig s PHE 100 Cb -0.06 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.83 2jig s PHE 100 CO -0.03 0.19 1.16 0.00 -0.10 0.00 0.00 175.22 176.44 2jig s ALA 101 N -0.83 2.88 0.21 5.36 0.00 -1.26 -2.37 121.76 125.74 2jig s ALA 101 Ca 0.13 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.68 2jig s ALA 101 Cb -0.10 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 2jig s ALA 101 CO 0.03 -0.71 1.72 0.21 0.00 0.00 0.00 175.76 177.01 2jig s LYS 102 N -2.89 4.13 -0.01 0.00 2.20 -1.26 -1.03 119.74 120.88 2jig s LYS 102 Ca 0.67 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.88 2jig s LYS 102 Cb -0.27 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2jig s LYS 102 CO 0.32 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2jig n GLY 103 N 3.97 0.46 0.36 5.54 0.00 -1.26 -4.95 105.19 109.31 2jig n GLY 103 Ca 0.16 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2jig n GLY 103 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jig n GLU 104 N -2.98 -0.14 -3.92 1.61 4.07 -0.20 -4.76 120.64 114.32 2jig n GLU 104 Ca -0.00 1.52 -0.10 0.00 -0.06 0.00 0.00 57.16 58.51 2jig n GLU 104 Cb 0.00 -2.26 -0.01 0.00 -0.06 0.00 0.00 31.44 29.12 2jig n GLU 104 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2jig s ASP 105 N -5.29 0.25 0.11 4.31 1.47 -1.26 -5.01 116.67 111.24 2jig s ASP 105 Ca -0.14 -1.17 -0.18 0.00 1.18 0.00 0.00 52.55 52.24 2jig s ASP 105 Cb 0.24 0.75 -0.05 0.00 -0.34 0.00 0.00 42.92 43.52 2jig s ASP 105 CO 0.74 -1.48 1.63 0.77 0.68 0.00 0.00 175.17 177.51 2jig h SER 106 N 2.06 0.43 -0.19 2.11 4.64 -1.99 -0.76 113.55 119.84 2jig h SER 106 Ca -0.29 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2jig h SER 106 Cb 1.25 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2jig h SER 106 CO 0.38 0.51 0.11 0.58 -0.87 0.00 0.00 176.83 177.54 2jig h VAL 107 N 0.32 1.09 -0.59 0.95 2.07 -1.99 -2.29 116.25 115.82 2jig h VAL 107 Ca 0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2jig h VAL 107 Cb 0.23 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2jig h VAL 107 CO -0.00 0.09 0.32 0.40 0.02 0.00 0.00 177.57 178.39 2jig h ILE 108 N 0.22 1.19 -0.98 4.57 2.04 -1.98 -3.02 117.51 119.56 2jig h ILE 108 Ca 0.07 -0.50 0.17 0.00 1.00 0.00 0.00 64.86 65.60 2jig h ILE 108 Cb 0.04 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 36.47 2jig h ILE 108 CO -0.01 0.21 0.59 0.28 0.00 0.00 0.00 178.15 179.22 2jig h SER 109 N 0.80 0.78 0.01 1.72 0.02 -0.81 -0.08 113.55 115.99 2jig h SER 109 Ca 0.21 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2jig h SER 109 Cb 0.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jig h SER 109 CO -0.03 0.31 -0.01 0.50 -1.14 0.00 0.00 176.83 176.47 2jig h LYS 110 N 0.79 -0.02 -0.81 3.45 3.64 -1.30 -1.47 116.57 120.86 2jig h LYS 110 Ca 0.54 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 60.01 2jig h LYS 110 Cb 0.77 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 2jig h LYS 110 CO -0.36 0.21 0.47 0.82 -2.27 0.00 0.00 179.45 178.32 2jig h ILE 111 N -0.24 0.95 -0.81 2.00 2.04 -1.38 -1.82 117.51 118.25 2jig h ILE 111 Ca -0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2jig h ILE 111 Cb 0.23 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 2jig h ILE 111 CO 0.00 0.15 0.44 -0.33 0.00 0.00 0.00 178.15 178.42 2jig h GLU 112 N 0.81 1.12 -0.48 2.37 5.08 -0.67 0.63 114.58 123.44 2jig h GLU 112 Ca 0.38 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2jig h GLU 112 Cb 0.29 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2jig h GLU 112 CO -0.22 0.82 -0.15 0.87 -1.00 0.00 0.00 179.01 179.34 2jig h LYS 113 N 1.13 0.92 -0.75 2.33 1.57 -0.89 -1.86 116.57 119.02 2jig h LYS 113 Ca 0.29 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2jig h LYS 113 Cb 0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2jig h LYS 113 CO -0.05 1.00 0.41 -0.09 -0.57 0.00 0.00 179.45 180.15 2jig h ARG 114 N 0.81 1.05 -0.79 3.15 2.43 -0.50 -1.16 114.38 119.38 2jig h ARG 114 Ca 0.12 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2jig h ARG 114 Cb 0.68 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2jig h ARG 114 CO 0.05 0.78 0.36 0.28 -1.51 0.00 0.00 179.97 179.94 2jig h VAL 115 N 1.04 1.25 -0.67 0.20 2.07 -0.75 -1.82 116.25 117.57 2jig h VAL 115 Ca 0.26 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jig h VAL 115 Cb 0.04 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2jig h VAL 115 CO -0.04 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.27 2jig h ALA 116 N 1.19 0.85 -0.16 1.67 0.00 -1.00 -2.16 119.26 119.65 2jig h ALA 116 Ca 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jig h ALA 116 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jig h ALA 116 CO -0.03 0.31 0.08 1.96 0.00 0.00 0.00 179.25 181.57 2jig h GLN 117 N 0.91 0.23 0.00 0.00 1.08 -0.81 0.35 115.11 116.87 2jig h GLN 117 Ca 0.24 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.28 2jig h GLN 117 Cb -0.05 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2jig h GLN 117 CO -0.05 0.25 -0.61 -0.39 -0.95 0.00 0.00 178.83 177.08 2jig h VAL 118 N 0.15 1.29 0.00 -0.54 -1.51 -1.26 -2.86 116.25 111.51 2jig h VAL 118 Ca 0.06 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.33 2jig h VAL 118 Cb 0.09 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2jig h VAL 118 CO -0.01 0.60 -0.61 0.71 -1.23 0.00 0.00 177.57 177.03 2jig h THR 119 N 0.00 0.00 -2.28 7.19 1.35 -1.38 -3.48 112.91 114.31 2jig h THR 119 Ca -0.01 -0.78 -0.31 0.00 -0.55 0.00 0.00 66.41 64.77 2jig h THR 119 Cb 1.19 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 2jig h THR 119 CO 0.08 0.00 -0.40 0.23 -0.25 0.00 0.00 175.52 175.18 2jig n MET 120 N -2.52 -1.35 -4.61 4.72 0.00 0.10 -5.01 117.12 108.46 2jig n MET 120 Ca 0.02 0.75 -0.27 0.00 0.00 0.00 0.00 57.70 58.21 2jig n MET 120 Cb 0.50 -5.12 -0.17 0.00 0.00 0.00 0.00 33.22 28.43 2jig n MET 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jig s ILE 121 N -2.79 1.40 0.57 2.02 1.01 -1.13 -5.06 121.20 117.23 2jig s ILE 121 Ca 0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 2jig s ILE 121 Cb -0.00 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2jig s ILE 121 CO 0.01 0.42 1.20 -2.16 0.00 0.00 0.00 174.94 174.41 2jig s PRO 122 N 0.78 3.09 0.54 2.79 0.04 -1.26 -4.58 135.00 136.40 2jig s PRO 122 Ca -0.12 1.82 0.36 0.00 0.04 0.00 0.00 61.00 63.10 2jig s PRO 122 Cb -0.16 -2.00 1.53 0.00 0.04 0.00 0.00 34.50 33.92 2jig s PRO 122 CO 0.02 -1.11 1.81 -0.07 0.04 0.00 0.00 177.00 177.69 2jig h LEU 123 N 1.05 0.02 -2.53 -3.56 3.38 -1.93 -1.06 115.31 110.68 2jig h LEU 123 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jig h LEU 123 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2jig h LEU 123 CO 0.56 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.74 2jig h GLU 124 N 0.02 0.00 -0.01 1.13 3.07 -1.98 -0.26 114.58 116.54 2jig h GLU 124 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 2jig h GLU 124 Cb 2.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.10 2jig h GLU 124 CO -0.02 0.02 -0.16 0.09 -1.40 0.00 0.00 179.01 177.53 2jig n ASN 125 N -3.53 1.40 -4.81 1.42 4.13 -0.40 -1.02 115.26 112.45 2jig n ASN 125 Ca -0.03 -1.23 -0.37 0.00 1.68 0.00 0.00 54.58 54.63 2jig n ASN 125 Cb 0.11 0.10 -0.06 0.00 -1.54 0.00 0.00 39.78 38.39 2jig n ASN 125 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2jig s HIS 126 N -2.28 3.62 0.92 3.10 3.76 -0.11 -0.64 115.29 123.66 2jig s HIS 126 Ca 0.29 0.80 -0.12 0.00 -0.15 0.00 0.00 55.06 55.87 2jig s HIS 126 Cb 0.20 -2.26 0.14 0.00 1.11 0.00 0.00 32.58 31.78 2jig s HIS 126 CO 0.44 0.52 1.12 -1.21 -0.85 0.00 0.00 174.74 174.77 2jig s GLU 127 N -0.53 1.05 1.00 1.40 2.02 -0.24 -4.93 118.70 118.46 2jig s GLU 127 Ca 0.20 0.36 -0.15 0.00 0.02 0.00 0.00 54.97 55.41 2jig s GLU 127 Cb -0.15 -1.82 0.19 0.00 0.10 0.00 0.00 34.13 32.45 2jig s GLU 127 CO 0.09 -2.28 1.16 0.20 0.02 0.00 0.00 175.26 174.45 2jig s GLY 128 N -3.89 1.62 0.06 -1.39 0.00 -1.26 -4.68 107.32 97.77 2jig s GLY 128 Ca 0.64 -0.75 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 2jig s GLY 128 CO 0.54 -0.06 1.48 1.08 0.00 0.00 0.00 173.10 176.14 2jig s LEU 129 N -6.26 4.35 -0.34 0.66 1.43 -1.00 -4.70 118.68 112.82 2jig s LEU 129 Ca 0.68 2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 55.91 2jig s LEU 129 Cb -0.12 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 2jig s LEU 129 CO 0.54 -0.76 0.46 -1.58 0.23 0.00 0.00 176.35 175.24 2jig s GLN 130 N 2.07 3.63 -0.17 1.70 2.00 -0.34 -0.89 119.66 127.67 2jig s GLN 130 Ca 0.67 -0.22 -0.06 0.00 -2.00 0.00 0.00 55.36 53.75 2jig s GLN 130 Cb -0.36 -3.80 -0.04 0.00 0.80 0.00 0.00 33.01 29.62 2jig s GLN 130 CO 0.29 -0.58 0.04 0.08 -0.50 0.00 0.00 175.29 174.62 2jig s VAL 131 N 2.26 4.63 0.14 1.34 1.01 -0.26 0.09 120.40 129.60 2jig s VAL 131 Ca 0.16 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2jig s VAL 131 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2jig s VAL 131 CO 0.12 0.48 -0.20 -0.76 0.00 0.00 0.00 175.10 174.75 2jig s LEU 132 N 0.24 2.37 -0.09 3.92 1.43 0.46 -1.45 118.68 125.57 2jig s LEU 132 Ca 0.03 -0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2jig s LEU 132 Cb -0.13 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.26 2jig s LEU 132 CO 0.01 0.01 -0.04 -2.28 0.23 0.00 0.00 176.35 174.28 2jig s HIS 133 N -1.62 1.08 -0.01 0.29 5.65 -0.85 -1.25 115.29 118.58 2jig s HIS 133 Ca 0.11 -0.44 0.05 0.00 0.25 0.00 0.00 55.06 55.03 2jig s HIS 133 Cb -0.08 -0.99 -0.03 0.00 -1.18 0.00 0.00 32.58 30.30 2jig s HIS 133 CO 0.05 -0.39 -0.17 0.71 -0.65 0.00 0.00 174.74 174.29 2jig s TYR 134 N 1.68 2.61 0.30 3.88 1.51 0.70 -1.54 117.35 126.49 2jig s TYR 134 Ca 0.02 -0.22 -0.18 0.00 -1.01 0.00 0.00 57.07 55.68 2jig s TYR 134 Cb -0.13 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2jig s TYR 134 CO -0.06 0.19 0.69 -3.38 -1.11 0.00 0.00 175.55 171.88 2jig s HIS 135 N -0.79 -0.00 -1.45 2.71 -3.43 -1.26 -0.58 115.29 110.48 2jig s HIS 135 Ca 0.13 -0.48 -0.10 0.00 -0.80 0.00 0.00 55.06 53.81 2jig s HIS 135 Cb -0.10 0.63 0.04 0.00 -1.43 0.00 0.00 32.58 31.72 2jig s HIS 135 CO 0.02 -1.27 0.97 -0.25 -2.00 0.00 0.00 174.74 172.21 2jig n ASP 136 N -0.67 -5.62 0.00 7.38 8.00 -1.23 -1.66 116.55 122.74 2jig n ASP 136 Ca -0.04 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.89 2jig n ASP 136 Cb 0.60 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 2jig n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jig n GLY 137 N -1.76 0.68 3.73 0.44 0.00 0.14 -5.01 105.19 103.42 2jig n GLY 137 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2jig n GLY 137 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jig n GLN 138 N -2.00 1.64 -4.10 1.61 6.02 -0.67 -4.21 117.38 115.67 2jig n GLN 138 Ca 0.00 0.61 -0.14 0.00 -0.01 0.00 0.00 57.00 57.45 2jig n GLN 138 Cb 0.00 -2.54 -0.05 0.00 1.02 0.00 0.00 30.24 28.67 2jig n GLN 138 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jig s LYS 139 N -2.86 1.82 -0.17 -1.09 -2.85 -1.26 -1.22 119.74 112.11 2jig s LYS 139 Ca 0.72 -1.72 -0.04 0.00 -1.00 0.00 0.00 55.97 53.93 2jig s LYS 139 Cb -0.42 0.43 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2jig s LYS 139 CO 0.49 -0.74 0.07 -0.47 0.10 0.00 0.00 175.35 174.80 2jig s TYR 140 N -3.25 0.48 0.45 1.78 6.14 0.11 -1.39 117.35 121.67 2jig s TYR 140 Ca 0.31 -0.45 -0.24 0.00 0.64 0.00 0.00 57.07 57.33 2jig s TYR 140 Cb 0.00 -0.79 -0.09 0.00 0.42 0.00 0.00 41.96 41.50 2jig s TYR 140 CO 0.19 -0.51 1.13 0.39 0.64 0.00 0.00 175.55 177.38 2jig n GLU 141 N 5.20 1.55 -1.65 4.97 -0.58 0.08 -0.38 120.64 129.81 2jig n GLU 141 Ca -0.07 0.56 -0.44 0.00 -0.42 0.00 0.00 57.16 56.78 2jig n GLU 141 Cb 0.48 -2.22 -0.01 0.00 -0.57 0.00 0.00 31.44 29.12 2jig n GLU 141 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jig n PRO 142 N -0.08 1.83 -3.83 3.49 -0.02 -1.26 -4.66 135.00 130.47 2jig n PRO 142 Ca 0.09 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 2jig n PRO 142 Cb 0.40 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.73 2jig n PRO 142 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2jig n HIS 143 N 0.64 -2.16 -4.45 6.00 1.44 -0.46 -4.86 115.22 111.38 2jig n HIS 143 Ca 0.08 -1.99 -0.32 0.00 -2.01 0.00 0.00 57.72 53.48 2jig n HIS 143 Cb 0.33 0.84 -0.10 0.00 0.12 0.00 0.00 29.99 31.18 2jig n HIS 143 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2jig s TYR 144 N -2.35 2.89 -1.17 -1.40 2.02 -1.26 -1.32 117.35 114.76 2jig s TYR 144 Ca 0.19 -0.04 0.08 0.00 -0.37 0.00 0.00 57.07 56.94 2jig s TYR 144 Cb -0.04 -1.61 0.36 0.00 -0.40 0.00 0.00 41.96 40.27 2jig s TYR 144 CO 0.14 0.38 1.16 -0.25 -1.57 0.00 0.00 175.55 175.41 2jig n ASP 145 N 1.54 2.72 -0.31 2.29 8.00 -1.26 -4.59 116.55 124.94 2jig n ASP 145 Ca -0.15 -2.27 0.12 0.00 0.71 0.00 0.00 54.79 53.20 2jig n ASP 145 Cb 0.53 -0.45 0.30 0.00 -0.02 0.00 0.00 41.12 41.47 2jig n ASP 145 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2jig h TYR 146 N 1.96 0.73 -4.14 1.24 0.05 -1.95 -3.40 116.97 111.47 2jig h TYR 146 Ca 0.00 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 2jig h TYR 146 Cb 0.92 -0.18 -0.15 0.00 1.01 0.00 0.00 36.73 38.33 2jig h TYR 146 CO 0.41 0.02 -0.58 -0.06 -1.05 0.00 0.00 178.16 176.90 2jig s PHE 147 N -5.89 0.46 0.24 4.88 0.08 -1.26 -1.60 117.98 114.90 2jig s PHE 147 Ca -0.12 -0.95 -0.25 0.00 0.12 0.00 0.00 56.93 55.73 2jig s PHE 147 Cb 0.25 -0.30 -0.16 0.00 -0.57 0.00 0.00 43.02 42.24 2jig s PHE 147 CO 0.78 -0.45 0.39 1.58 -0.10 0.00 0.00 175.22 177.42 2jig n HIS 148 N 0.03 -0.88 -5.07 0.36 -0.00 -1.26 -5.02 115.22 103.38 2jig n HIS 148 Ca -0.13 0.84 -0.28 0.00 -0.00 0.00 0.00 57.72 58.15 2jig n HIS 148 Cb 0.62 -1.83 -0.16 0.00 -0.00 0.00 0.00 29.99 28.62 2jig n HIS 148 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2jig s ASP 149 N -0.96 2.60 0.61 0.26 -1.08 -1.26 -5.03 116.67 111.81 2jig s ASP 149 Ca 0.60 -0.42 0.28 0.00 -0.52 0.00 0.00 52.55 52.49 2jig s ASP 149 Cb -0.82 -0.52 1.38 0.00 -1.46 0.00 0.00 42.92 41.51 2jig s ASP 149 CO 0.55 0.23 1.79 -0.65 0.52 0.00 0.00 175.17 177.62 2jig h PRO 150 N 5.89 0.00 0.00 4.34 0.11 -1.96 0.57 132.00 140.95 2jig h PRO 150 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2jig h PRO 150 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jig h PRO 150 CO 0.47 0.00 0.00 -0.24 -0.21 0.00 0.00 178.00 178.02 2jig h VAL 151 N 0.00 0.00 -3.79 3.15 3.04 -1.96 -3.46 116.25 113.23 2jig h VAL 151 Ca 0.20 -0.48 -0.52 0.00 -1.01 0.00 0.00 66.70 64.89 2jig h VAL 151 Cb 1.32 1.38 0.06 0.00 -2.01 0.00 0.00 31.29 32.05 2jig h VAL 151 CO -0.00 0.00 0.65 0.20 -1.01 0.00 0.00 177.57 177.40 2jig s ASN 152 N -5.02 6.79 0.52 3.17 0.02 0.19 -4.63 114.94 115.98 2jig s ASN 152 Ca 0.05 2.65 -0.19 0.00 -1.02 0.00 0.00 52.86 54.35 2jig s ASN 152 Cb 0.09 -2.64 -0.07 0.00 0.02 0.00 0.00 41.25 38.65 2jig s ASN 152 CO 0.52 -0.54 1.06 0.00 0.02 0.00 0.00 177.10 178.16 2jig s ALA 153 N -0.94 2.80 0.00 0.60 0.00 -1.26 -4.89 121.76 118.07 2jig s ALA 153 Ca 0.50 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2jig s ALA 153 Cb -0.39 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2jig s ALA 153 CO 0.50 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2jig n GLY 154 N -0.34 -1.81 3.77 0.00 0.00 -1.26 -4.75 105.19 100.80 2jig n GLY 154 Ca 0.10 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 2jig n GLY 154 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jig s PRO 155 N 0.00 1.94 -0.31 1.61 0.04 -1.26 -5.01 135.00 132.00 2jig s PRO 155 Ca 0.00 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 2jig s PRO 155 Cb 0.00 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2jig s PRO 155 CO 0.00 -1.78 0.48 -2.00 0.04 0.00 0.00 177.00 173.74 2jig s GLU 156 N -5.01 3.79 -0.28 4.56 2.12 -1.26 -5.04 118.70 117.58 2jig s GLU 156 Ca 0.61 -0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 2jig s GLU 156 Cb -0.16 -3.74 0.02 0.00 0.26 0.00 0.00 34.13 30.50 2jig s GLU 156 CO 0.56 -0.50 0.02 -1.01 -0.54 0.00 0.00 175.26 173.79 2jig s HIS 157 N 2.29 3.13 0.73 5.30 3.76 -1.26 -5.10 115.29 124.14 2jig s HIS 157 Ca 0.18 -1.28 -0.13 0.00 -0.15 0.00 0.00 55.06 53.68 2jig s HIS 157 Cb -0.16 -2.17 0.04 0.00 1.11 0.00 0.00 32.58 31.40 2jig s HIS 157 CO 0.12 -0.66 1.13 0.20 -0.85 0.00 0.00 174.74 174.67 2jig s GLY 158 N 1.41 2.00 0.00 -2.22 0.00 -1.26 -4.42 107.32 102.83 2jig s GLY 158 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.26 2jig s GLY 158 CO -0.00 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.61 2jig n GLY 159 N -0.47 3.27 3.71 0.20 0.00 -1.26 -4.72 105.19 105.92 2jig n GLY 159 Ca 0.11 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 2jig n GLY 159 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jig s GLN 160 N -2.85 4.16 0.18 1.61 0.74 -1.26 -4.61 119.66 117.63 2jig s GLN 160 Ca 0.00 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 54.90 2jig s GLN 160 Cb 0.00 -3.46 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 2jig s GLN 160 CO 0.00 0.22 1.03 1.03 -0.55 0.00 0.00 175.29 177.02 2jig s ARG 161 N 0.60 4.68 -0.23 1.67 3.00 -0.63 -1.26 118.95 126.78 2jig s ARG 161 Ca 0.09 1.61 0.02 0.00 0.00 0.00 0.00 55.73 57.45 2jig s ARG 161 Cb -0.12 -3.29 -0.19 0.00 0.00 0.00 0.00 34.95 31.34 2jig s ARG 161 CO 0.01 0.22 -0.09 1.55 0.00 0.00 0.00 175.30 176.98 2jig n VAL 162 N 2.16 1.53 -3.93 3.52 3.14 0.14 -4.48 118.33 120.41 2jig n VAL 162 Ca 0.01 -0.61 -0.10 0.00 -2.96 0.00 0.00 64.34 60.68 2jig n VAL 162 Cb 0.47 -1.37 -0.11 0.00 -1.06 0.00 0.00 33.84 31.77 2jig n VAL 162 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2jig s VAL 163 N -2.52 0.09 0.00 1.55 0.11 -1.11 -0.23 120.40 118.29 2jig s VAL 163 Ca -0.30 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.05 2jig s VAL 163 Cb 0.08 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2jig s VAL 163 CO 0.65 -0.42 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.92 2jig s THR 164 N -1.32 1.53 -0.15 5.04 2.01 -0.27 -1.41 115.64 121.07 2jig s THR 164 Ca -0.14 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 60.94 2jig s THR 164 Cb -0.08 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.14 2jig s THR 164 CO -0.00 0.34 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.03 2jig s MET 165 N -0.69 3.04 -0.29 4.92 -1.94 -0.14 -1.71 119.30 122.51 2jig s MET 165 Ca 0.07 -0.83 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 2jig s MET 165 Cb -0.08 -2.50 0.02 0.00 2.01 0.00 0.00 34.83 34.28 2jig s MET 165 CO 0.00 -0.06 0.05 -1.17 -0.01 0.00 0.00 175.02 173.83 2jig s LEU 166 N 0.94 3.76 -0.23 -0.03 2.96 0.40 -0.53 118.68 125.96 2jig s LEU 166 Ca -0.04 -0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 2jig s LEU 166 Cb -0.15 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2jig s LEU 166 CO -0.04 -0.19 0.05 -0.04 -1.32 0.00 0.00 176.35 174.80 2jig s MET 167 N 1.45 3.68 -0.23 1.98 -1.94 0.29 0.27 119.30 124.80 2jig s MET 167 Ca 0.01 -0.48 -0.22 0.00 -1.71 0.00 0.00 55.69 53.30 2jig s MET 167 Cb -0.17 -3.24 -0.02 0.00 2.01 0.00 0.00 34.83 33.41 2jig s MET 167 CO 0.01 -0.08 0.70 0.71 -0.01 0.00 0.00 175.02 176.35 2jig s TYR 168 N 1.31 3.33 -0.84 -0.03 2.02 -0.20 -1.06 117.35 121.87 2jig s TYR 168 Ca 0.05 0.97 0.22 0.00 -0.37 0.00 0.00 57.07 57.94 2jig s TYR 168 Cb -0.15 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 2jig s TYR 168 CO 0.03 -0.30 1.02 1.28 -1.57 0.00 0.00 175.55 176.01 2jig n LEU 169 N 5.58 0.73 -4.07 -1.29 4.77 0.04 -0.19 117.00 122.56 2jig n LEU 169 Ca 0.01 -0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 55.68 2jig n LEU 169 Cb 0.49 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2jig n LEU 169 CO 0.45 0.15 -0.35 0.42 -1.33 0.00 0.00 177.39 176.73 2jig s THR 170 N -3.08 0.20 -0.16 -5.08 -4.23 -1.22 -4.68 115.64 97.39 2jig s THR 170 Ca 0.07 -1.65 -0.19 0.00 -1.18 0.00 0.00 61.69 58.74 2jig s THR 170 Cb 0.16 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 2jig s THR 170 CO 0.82 -0.91 0.51 -0.89 -0.54 0.00 0.00 174.62 173.61 2jig s THR 171 N -3.54 5.14 -0.25 3.99 2.01 -1.26 -3.24 115.64 118.49 2jig s THR 171 Ca 0.03 0.99 -0.13 0.00 0.31 0.00 0.00 61.69 62.89 2jig s THR 171 Cb 0.05 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2jig s THR 171 CO -0.09 0.24 0.28 -0.69 -0.69 0.00 0.00 174.62 173.68 2jig s VAL 172 N 1.15 5.26 0.14 3.82 1.01 -1.04 -4.75 120.40 125.98 2jig s VAL 172 Ca 0.26 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 2jig s VAL 172 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2jig s VAL 172 CO 0.10 0.25 1.67 -0.08 0.00 0.00 0.00 175.10 177.04 2jig h GLU 173 N 7.82 0.65 -3.34 2.72 4.81 -1.90 -3.44 114.58 121.90 2jig h GLU 173 Ca -0.35 -0.13 -0.23 0.00 -0.13 0.00 0.00 59.36 58.51 2jig h GLU 173 Cb 1.17 -0.10 -0.30 0.00 0.63 0.00 0.00 28.75 30.15 2jig h GLU 173 CO 0.65 0.63 -0.60 -2.00 -0.73 0.00 0.00 179.01 176.95 2jig s GLU 174 N -5.47 0.10 2.60 1.92 2.12 -1.14 -4.97 118.70 113.86 2jig s GLU 174 Ca -0.13 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.49 2jig s GLU 174 Cb 0.10 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.39 2jig s GLU 174 CO 0.76 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.78 2jig n GLY 175 N 3.80 -0.30 2.44 -1.50 0.00 -1.26 -0.92 105.19 107.45 2jig n GLY 175 Ca -0.22 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 2jig n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jig n GLY 176 N 0.00 0.33 3.77 -0.02 0.00 -0.05 -4.75 105.19 104.47 2jig n GLY 176 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2jig n GLY 176 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jig s GLU 177 N -1.03 4.04 -0.10 1.61 8.01 -1.26 -4.51 118.70 125.46 2jig s GLU 177 Ca 0.00 1.91 -0.30 0.00 0.01 0.00 0.00 54.97 56.60 2jig s GLU 177 Cb 0.00 -2.70 -0.02 0.00 -4.31 0.00 0.00 34.13 27.10 2jig s GLU 177 CO 0.00 -0.36 1.13 0.99 0.01 0.00 0.00 175.26 177.03 2jig s THR 178 N -1.37 4.47 -0.05 3.63 2.01 -0.60 -0.48 115.64 123.25 2jig s THR 178 Ca 0.57 1.77 0.03 0.00 0.31 0.00 0.00 61.69 64.37 2jig s THR 178 Cb -0.32 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 2jig s THR 178 CO 0.41 -0.03 -0.12 0.54 -0.69 0.00 0.00 174.62 174.72 2jig s VAL 179 N 2.39 3.23 -0.50 3.82 0.11 -0.53 -0.49 120.40 128.42 2jig s VAL 179 Ca 0.52 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2jig s VAL 179 Cb -0.21 -2.29 0.13 0.00 -1.53 0.00 0.00 36.38 32.48 2jig s VAL 179 CO 0.18 0.58 0.26 -0.76 -3.33 0.00 0.00 175.10 172.03 2jig s LEU 180 N -0.81 3.92 0.54 2.54 1.02 0.28 -1.06 118.68 125.11 2jig s LEU 180 Ca 0.12 -2.93 0.26 0.00 0.02 0.00 0.00 54.13 51.59 2jig s LEU 180 Cb -0.11 -1.49 1.54 0.00 0.02 0.00 0.00 46.19 46.15 2jig s LEU 180 CO 0.01 -0.24 2.15 -0.65 0.02 0.00 0.00 176.35 177.64 2jig h PRO 181 N 6.54 0.00 -0.44 1.29 0.11 -1.77 -1.57 132.00 136.16 2jig h PRO 181 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2jig h PRO 181 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2jig h PRO 181 CO 0.64 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.59 2jig n ASN 182 N -3.89 2.70 -4.77 -2.05 3.02 -1.26 -4.64 115.26 104.37 2jig n ASN 182 Ca -0.02 -1.95 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 2jig n ASN 182 Cb 0.16 -0.29 0.07 0.00 -0.61 0.00 0.00 39.78 39.11 2jig n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jig s ALA 183 N -1.42 2.34 0.03 5.41 0.00 -1.04 -4.79 121.76 122.29 2jig s ALA 183 Ca 0.35 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 2jig s ALA 183 Cb 0.19 -3.31 -0.17 0.00 0.00 0.00 0.00 23.12 19.83 2jig s ALA 183 CO 0.25 -1.55 1.37 0.93 0.00 0.00 0.00 175.76 176.76 2jig h GLU 184 N -0.54 -0.64 -4.46 0.00 4.39 -1.89 -3.42 114.58 108.01 2jig h GLU 184 Ca -0.45 0.04 -0.71 0.00 0.34 0.00 0.00 59.36 58.58 2jig h GLU 184 Cb 1.24 0.15 -0.28 0.00 -0.10 0.00 0.00 28.75 29.76 2jig h GLU 184 CO 0.52 -0.35 -0.48 -0.65 -1.16 0.00 0.00 179.01 176.90 2jig s GLN 185 N -5.22 2.58 0.47 2.33 -1.52 -1.26 -5.03 119.66 112.01 2jig s GLN 185 Ca -0.15 -1.46 -0.22 0.00 -1.95 0.00 0.00 55.36 51.58 2jig s GLN 185 Cb 0.03 -3.76 -0.07 0.00 -0.22 0.00 0.00 33.01 28.99 2jig s GLN 185 CO 0.55 -0.94 1.15 0.15 -0.25 0.00 0.00 175.29 175.95 2jig s LYS 186 N 1.41 3.71 0.51 2.91 1.02 -1.26 -4.05 119.74 123.99 2jig s LYS 186 Ca 0.03 1.72 -0.20 0.00 0.02 0.00 0.00 55.97 57.55 2jig s LYS 186 Cb -0.23 -2.34 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 2jig s LYS 186 CO 0.02 -0.58 1.06 0.14 -0.92 0.00 0.00 175.35 175.07 2jig s VAL 187 N -1.60 3.67 0.06 3.17 -7.23 -0.26 -4.88 120.40 113.34 2jig s VAL 187 Ca 0.65 1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 61.79 2jig s VAL 187 Cb -0.27 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 2jig s VAL 187 CO 0.33 -0.25 0.07 0.42 -0.31 0.00 0.00 175.10 175.36 2jig s THR 188 N -1.99 0.18 0.00 5.32 -4.23 -1.26 -4.56 115.64 109.10 2jig s THR 188 Ca 0.68 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2jig s THR 188 Cb -0.18 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2jig s THR 188 CO 0.23 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 2jig n GLY 189 N 0.11 1.63 3.77 3.99 0.00 -1.26 -4.92 105.19 108.52 2jig n GLY 189 Ca -0.15 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 2jig n GLY 189 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jig s ASP 190 N 0.00 6.01 0.00 1.61 1.01 -1.26 -3.53 116.67 120.51 2jig s ASP 190 Ca 0.00 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.54 2jig s ASP 190 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2jig s ASP 190 CO 0.00 -1.03 0.00 0.61 0.21 0.00 0.00 175.17 174.96 2jig n GLY 191 N 0.38 1.75 3.72 0.21 0.00 -1.26 -5.09 105.19 104.91 2jig n GLY 191 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2jig n GLY 191 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jig s TRP 192 N -2.28 3.30 0.73 1.61 0.52 -1.23 -4.94 118.94 116.65 2jig s TRP 192 Ca 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 56.10 56.23 2jig s TRP 192 Cb 0.00 -1.90 0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2jig s TRP 192 CO 0.00 0.46 1.16 -1.54 0.02 0.00 0.00 176.95 177.05 2jig s SER 193 N -0.61 4.43 0.44 2.95 1.04 -1.26 -4.84 113.70 115.85 2jig s SER 193 Ca 0.11 2.17 0.15 0.00 0.48 0.00 0.00 55.95 58.86 2jig s SER 193 Cb -0.12 -2.57 1.07 0.00 0.10 0.00 0.00 66.02 64.50 2jig s SER 193 CO 0.02 -2.10 1.97 -0.33 0.98 0.00 0.00 173.24 173.78 2jig h GLU 194 N -0.40 0.37 -0.56 4.02 4.39 -1.99 -0.83 114.58 119.58 2jig h GLU 194 Ca -0.47 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2jig h GLU 194 Cb 1.27 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 2jig h GLU 194 CO 0.51 0.24 0.26 0.00 -1.16 0.00 0.00 179.01 178.85 2jig h ALA 196 N 1.09 1.28 0.00 0.00 0.00 -1.50 -2.37 119.26 117.76 2jig h ALA 196 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jig h ALA 196 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jig h ALA 196 CO -0.02 0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.34 2jig n LYS 197 N -4.21 0.33 0.00 0.00 5.02 -0.98 -1.94 118.16 116.37 2jig n LYS 197 Ca 0.00 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.51 2jig n LYS 197 Cb 0.32 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.38 2jig n LYS 197 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jig n ARG 198 N -1.15 0.38 -0.32 1.97 1.74 -0.89 -4.72 116.66 113.67 2jig n ARG 198 Ca 0.09 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2jig n ARG 198 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2jig n ARG 198 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jig n GLY 199 N 1.37 3.14 3.77 -0.13 0.00 -0.82 -4.41 105.19 108.12 2jig n GLY 199 Ca 0.11 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 2jig n GLY 199 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jig s LEU 200 N 0.00 4.36 0.03 0.99 2.96 -0.62 -1.10 118.68 125.31 2jig s LEU 200 Ca 0.00 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 2jig s LEU 200 Cb 0.00 -3.86 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 2jig s LEU 200 CO 0.00 -0.35 0.00 0.00 -1.32 0.00 0.00 176.35 174.68 2jig s ALA 201 N -1.35 0.16 -0.10 5.97 0.00 -1.26 0.98 121.76 126.16 2jig s ALA 201 Ca 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2jig s ALA 201 Cb -0.29 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2jig s ALA 201 CO 0.37 -0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.87 2jig s VAL 202 N -2.28 1.08 -0.03 0.00 1.01 0.35 -4.96 120.40 115.58 2jig s VAL 202 Ca -0.08 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2jig s VAL 202 Cb -0.04 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2jig s VAL 202 CO -0.04 0.37 1.06 -0.54 0.00 0.00 0.00 175.10 175.95 2jig s LYS 203 N 1.40 4.47 -0.06 2.72 1.02 -1.26 -1.55 119.74 126.47 2jig s LYS 203 Ca -0.01 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 2jig s LYS 203 Cb -0.13 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 2jig s LYS 203 CO -0.05 -0.22 1.65 -2.14 -0.92 0.00 0.00 175.35 173.67 2jig s PRO 204 N 1.47 4.17 -0.11 -1.68 0.02 -1.26 -4.97 135.00 132.64 2jig s PRO 204 Ca 0.53 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.73 2jig s PRO 204 Cb -0.22 -3.99 0.01 0.00 0.02 0.00 0.00 34.50 30.32 2jig s PRO 204 CO 0.25 -0.86 -0.17 0.42 -0.33 0.00 0.00 177.00 176.31 2jig s ILE 205 N 4.08 1.59 -0.32 2.83 1.01 -1.26 -2.50 121.20 126.63 2jig s ILE 205 Ca 0.73 -0.70 -0.41 0.00 0.00 0.00 0.00 60.65 60.27 2jig s ILE 205 Cb -0.33 -1.44 -0.16 0.00 0.01 0.00 0.00 42.46 40.54 2jig s ILE 205 CO 0.29 0.46 1.75 1.17 0.00 0.00 0.00 174.94 178.62 2jig n LYS 206 N 4.11 0.96 0.00 2.79 4.81 -1.20 -1.57 118.16 128.06 2jig n LYS 206 Ca -0.19 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2jig n LYS 206 Cb 0.51 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.54 2jig n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jig n GLY 207 N 4.35 2.74 3.83 3.14 0.00 0.73 -4.84 105.19 115.15 2jig n GLY 207 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 2jig n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jig s ASP 208 N -1.22 6.05 -0.03 1.61 1.01 -0.61 0.43 116.67 123.92 2jig s ASP 208 Ca 0.00 1.60 0.01 0.00 0.71 0.00 0.00 52.55 54.87 2jig s ASP 208 Cb 0.00 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2jig s ASP 208 CO 0.00 -0.98 -0.03 0.00 0.21 0.00 0.00 175.17 174.37 2jig s ALA 209 N -2.82 0.44 -0.24 5.23 0.00 -0.22 -1.03 121.76 123.11 2jig s ALA 209 Ca 0.59 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 2jig s ALA 209 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2jig s ALA 209 CO 0.44 0.00 0.34 -1.17 0.00 0.00 0.00 175.76 175.37 2jig s LEU 210 N 0.63 4.08 -0.21 0.00 2.96 0.14 -0.20 118.68 126.08 2jig s LEU 210 Ca -0.07 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.08 2jig s LEU 210 Cb -0.10 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2jig s LEU 210 CO -0.01 -0.11 0.08 -0.32 -1.32 0.00 0.00 176.35 174.67 2jig s MET 211 N 1.68 3.89 0.00 1.98 -2.45 0.28 -0.45 119.30 124.22 2jig s MET 211 Ca 0.15 -0.38 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 2jig s MET 211 Cb -0.15 -3.28 -0.01 0.00 1.25 0.00 0.00 34.83 32.64 2jig s MET 211 CO 0.09 0.11 0.07 -0.59 1.05 0.00 0.00 175.02 175.74 2jig s PHE 212 N 0.83 0.10 -0.21 4.11 -0.12 -0.69 -0.51 117.98 121.49 2jig s PHE 212 Ca 0.04 -0.22 -0.09 0.00 -0.05 0.00 0.00 56.93 56.61 2jig s PHE 212 Cb -0.13 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 2jig s PHE 212 CO 0.02 -0.21 0.12 0.71 -0.05 0.00 0.00 175.22 175.81 2jig s TYR 213 N -1.16 3.31 0.08 3.49 1.51 -0.67 -1.11 117.35 122.79 2jig s TYR 213 Ca -0.13 0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.19 2jig s TYR 213 Cb -0.07 -2.17 -0.22 0.00 -0.11 0.00 0.00 41.96 39.38 2jig s TYR 213 CO 0.00 0.14 1.12 0.77 -1.11 0.00 0.00 175.55 176.47 2jig h SER 214 N 7.03 0.03 -3.23 2.29 0.02 -0.90 -3.41 113.55 115.37 2jig h SER 214 Ca -0.39 -0.03 -0.64 0.00 -0.84 0.00 0.00 61.79 59.89 2jig h SER 214 Cb 1.16 -0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.57 2jig h SER 214 CO 0.70 1.03 -0.67 -0.76 -1.14 0.00 0.00 176.83 175.99 2jig s LEU 215 N -6.59 3.39 0.82 5.07 1.43 -1.09 -1.12 118.68 120.58 2jig s LEU 215 Ca -0.01 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2jig s LEU 215 Cb 0.09 -2.11 0.08 0.00 0.03 0.00 0.00 46.19 44.29 2jig s LEU 215 CO 0.82 0.15 1.09 -0.54 0.23 0.00 0.00 176.35 178.10 2jig s LYS 216 N -2.49 1.93 0.66 1.70 1.02 0.59 -4.82 119.74 118.34 2jig s LYS 216 Ca 0.26 0.79 0.32 0.00 0.02 0.00 0.00 55.97 57.36 2jig s LYS 216 Cb -0.11 -1.89 1.75 0.00 -0.52 0.00 0.00 37.83 37.06 2jig s LYS 216 CO 0.18 -1.77 1.99 -1.35 -0.92 0.00 0.00 175.35 173.48 2jig h PRO 217 N -1.20 0.00 -0.57 -1.68 0.11 -2.01 0.63 132.00 127.27 2jig h PRO 217 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jig h PRO 217 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jig h PRO 217 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 2jig n ASP 218 N -2.96 3.13 0.00 -2.05 5.75 -1.26 -4.93 116.55 114.22 2jig n ASP 218 Ca -0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 2jig n ASP 218 Cb 0.34 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 2jig n ASP 218 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jig n GLY 219 N 1.43 1.75 3.80 6.12 0.00 0.21 -5.04 105.19 113.47 2jig n GLY 219 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2jig n GLY 219 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jig s SER 220 N -3.33 5.65 0.33 1.61 1.04 -1.26 -4.73 113.70 113.01 2jig s SER 220 Ca 0.00 1.85 -0.29 0.00 0.48 0.00 0.00 55.95 58.00 2jig s SER 220 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 2jig s SER 220 CO 0.00 -1.26 1.38 0.20 0.98 0.00 0.00 173.24 174.54 2jig s ASN 221 N -2.75 6.65 -0.45 7.02 0.01 -1.26 -0.30 114.94 123.86 2jig s ASN 221 Ca 0.64 2.77 -0.11 0.00 -0.71 0.00 0.00 52.86 55.45 2jig s ASN 221 Cb -0.17 -2.65 0.09 0.00 0.41 0.00 0.00 41.25 38.93 2jig s ASN 221 CO 0.38 -0.65 0.33 -0.62 -1.51 0.00 0.00 177.10 175.03 2jig s ASP 222 N -0.23 5.81 0.10 -1.22 2.15 -0.28 -4.67 116.67 118.33 2jig s ASP 222 Ca 0.52 -1.60 0.10 0.00 0.43 0.00 0.00 52.55 52.01 2jig s ASP 222 Cb -0.42 -2.05 0.50 0.00 -0.30 0.00 0.00 42.92 40.65 2jig s ASP 222 CO 0.53 -0.63 1.32 -2.65 -0.17 0.00 0.00 175.17 173.57 2jig n PRO 223 N 5.00 0.05 0.00 4.34 -0.02 -1.26 -1.36 135.00 141.75 2jig n PRO 223 Ca -0.10 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 62.00 2jig n PRO 223 Cb 0.42 -1.65 0.72 0.00 -0.02 0.00 0.00 33.50 32.97 2jig n PRO 223 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jig n ALA 224 N -1.59 2.45 1.55 3.55 0.00 -1.26 -3.60 120.51 121.60 2jig n ALA 224 Ca 0.01 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.41 2jig n ALA 224 Cb 0.07 -1.48 0.43 0.00 0.00 0.00 0.00 19.45 18.47 2jig n ALA 224 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jig n SER 225 N -1.34 0.96 -4.62 0.00 3.41 -0.47 -3.92 113.62 107.63 2jig n SER 225 Ca 0.12 -1.60 -0.50 0.00 -0.26 0.00 0.00 58.87 56.63 2jig n SER 225 Cb 0.27 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2jig n SER 225 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jig n LEU 226 N -0.14 2.17 -3.65 1.04 7.94 -1.24 -4.80 117.00 118.32 2jig n LEU 226 Ca 0.15 1.10 -0.14 0.00 -1.11 0.00 0.00 56.01 56.01 2jig n LEU 226 Cb 0.21 -1.27 -0.07 0.00 0.53 0.00 0.00 43.42 42.83 2jig n LEU 226 CO 0.12 -0.77 0.19 -1.38 -1.11 0.00 0.00 177.39 174.44 2jig s HIS 227 N 0.76 -0.34 0.34 1.96 -3.43 -0.44 -3.90 115.29 110.24 2jig s HIS 227 Ca 0.83 0.42 0.02 0.00 -0.80 0.00 0.00 55.06 55.53 2jig s HIS 227 Cb -0.86 0.25 -0.01 0.00 -1.43 0.00 0.00 32.58 30.52 2jig s HIS 227 CO 0.44 -0.55 0.38 0.20 -2.00 0.00 0.00 174.74 173.21 2jig s GLY 228 N -1.73 1.88 -0.25 -1.38 0.00 -0.22 -1.36 107.32 104.26 2jig s GLY 228 Ca -0.08 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 42.87 2jig s GLY 228 CO 0.01 -1.22 -0.10 -0.45 0.00 0.00 0.00 173.10 171.34 2jig s SER 229 N -3.30 4.20 0.50 1.64 0.15 0.48 -1.46 113.70 115.92 2jig s SER 229 Ca 0.35 -1.07 -0.22 0.00 0.70 0.00 0.00 55.95 55.71 2jig s SER 229 Cb 0.01 -1.59 -0.06 0.00 -1.71 0.00 0.00 66.02 62.67 2jig s SER 229 CO 0.24 -0.14 1.28 0.00 1.20 0.00 0.00 173.24 175.81 2jig n PRO 231 N -0.74 0.48 -2.68 0.00 -0.02 -1.26 -2.28 135.00 128.50 2jig n PRO 231 Ca 0.09 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 2jig n PRO 231 Cb 0.46 -1.60 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 2jig n PRO 231 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jig s THR 232 N -0.18 4.74 -0.17 3.45 2.01 -0.36 -0.87 115.64 124.26 2jig s THR 232 Ca 0.80 2.04 0.12 0.00 0.31 0.00 0.00 61.69 64.96 2jig s THR 232 Cb -1.05 -4.31 -0.19 0.00 0.01 0.00 0.00 72.50 66.96 2jig s THR 232 CO 0.54 -0.07 0.02 0.18 -0.69 0.00 0.00 174.62 174.59 2jig n LEU 233 N 5.57 0.48 -3.73 4.42 4.77 -0.10 0.27 117.00 128.69 2jig n LEU 233 Ca 0.10 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2jig n LEU 233 Cb 0.48 0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.65 2jig n LEU 233 CO 0.52 0.48 -0.16 -0.75 -1.33 0.00 0.00 177.39 176.15 2jig s LYS 234 N -2.40 0.16 0.11 3.23 2.20 -0.99 -4.80 119.74 117.25 2jig s LYS 234 Ca -0.11 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2jig s LYS 234 Cb 0.05 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 2jig s LYS 234 CO 0.64 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 2jig n GLY 235 N 4.35 -1.89 2.83 5.54 0.00 -1.26 -2.86 105.19 111.90 2jig n GLY 235 Ca -0.24 -1.97 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 2jig n GLY 235 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jig s ASP 236 N -4.00 1.17 -0.34 1.61 1.01 -1.26 -4.48 116.67 110.38 2jig s ASP 236 Ca 0.00 -0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.05 2jig s ASP 236 Cb 0.00 -0.42 -0.00 0.00 1.01 0.00 0.00 42.92 43.51 2jig s ASP 236 CO 0.00 -0.12 0.21 -0.75 0.21 0.00 0.00 175.17 174.72 2jig s LYS 237 N 1.39 3.27 -0.15 8.23 2.20 0.25 -4.64 119.74 130.31 2jig s LYS 237 Ca -0.04 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2jig s LYS 237 Cb -0.13 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 2jig s LYS 237 CO -0.03 -0.50 -0.04 -1.58 -0.36 0.00 0.00 175.35 172.84 2jig s TRP 238 N 1.65 3.03 0.07 4.03 0.52 -1.26 -0.22 118.94 126.75 2jig s TRP 238 Ca 0.05 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 55.94 2jig s TRP 238 Cb -0.18 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 2jig s TRP 238 CO 0.08 0.02 -0.07 -1.54 0.02 0.00 0.00 176.95 175.47 2jig s SER 239 N 0.21 0.91 -0.09 2.95 1.04 -0.38 -0.78 113.70 117.56 2jig s SER 239 Ca -0.02 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.64 2jig s SER 239 Cb -0.14 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.08 2jig s SER 239 CO 0.03 -0.36 -0.13 0.00 0.98 0.00 0.00 173.24 173.76 2jig s ALA 240 N -2.59 1.51 -0.12 5.32 0.00 -0.23 -0.40 121.76 125.25 2jig s ALA 240 Ca 0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2jig s ALA 240 Cb -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2jig s ALA 240 CO -0.03 -0.04 0.03 0.99 0.00 0.00 0.00 175.76 176.71 2jig s THR 241 N 0.95 4.52 -0.25 0.00 2.01 0.11 -0.55 115.64 122.44 2jig s THR 241 Ca -0.08 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2jig s THR 241 Cb -0.15 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.45 2jig s THR 241 CO -0.00 0.56 -0.09 -0.75 -0.69 0.00 0.00 174.62 173.64 2jig s LYS 242 N -0.43 2.51 -0.18 4.92 2.47 0.32 -1.19 119.74 128.15 2jig s LYS 242 Ca 0.09 -1.18 -0.15 0.00 -1.56 0.00 0.00 55.97 53.17 2jig s LYS 242 Cb -0.12 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.29 2jig s LYS 242 CO 0.02 -0.49 0.35 -1.58 0.16 0.00 0.00 175.35 173.81 2jig s TRP 243 N 1.20 3.41 -0.16 4.03 0.51 -1.26 -0.96 118.94 125.71 2jig s TRP 243 Ca -0.04 0.60 0.01 0.00 -2.12 0.00 0.00 56.10 54.54 2jig s TRP 243 Cb -0.18 -2.44 0.02 0.00 -0.81 0.00 0.00 33.47 30.06 2jig s TRP 243 CO -0.05 0.10 -0.16 0.42 -0.51 0.00 0.00 176.95 176.75 2jig s ILE 244 N 0.92 1.74 0.54 2.03 1.01 -0.50 -1.08 121.20 125.87 2jig s ILE 244 Ca 0.18 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 2jig s ILE 244 Cb -0.14 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2jig s ILE 244 CO 0.06 0.49 0.83 -1.00 0.00 0.00 0.00 174.94 175.32 2jig s HIS 245 N 1.40 3.25 -0.75 3.97 3.76 0.19 -0.69 115.29 126.42 2jig s HIS 245 Ca 0.05 0.52 0.24 0.00 -0.15 0.00 0.00 55.06 55.72 2jig s HIS 245 Cb -0.13 -2.60 0.92 0.00 1.11 0.00 0.00 32.58 31.88 2jig s HIS 245 CO -0.11 -0.67 1.75 1.33 -0.85 0.00 0.00 174.74 176.19 2jig n VAL 246 N -2.42 0.60 -3.86 -0.90 0.24 -0.39 -4.66 118.33 106.94 2jig n VAL 246 Ca 0.03 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.23 2jig n VAL 246 Cb 0.57 -0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 2jig n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jig s ALA 247 N -3.13 -0.23 0.36 2.33 0.00 -1.26 -5.09 121.76 114.73 2jig s ALA 247 Ca 0.09 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 2jig s ALA 247 Cb 0.12 0.43 -0.12 0.00 0.00 0.00 0.00 23.12 23.56 2jig s ALA 247 CO 0.48 -0.47 1.22 -2.30 0.00 0.00 0.00 175.76 174.69 2jig n PRO 248 N 0.11 1.90 -2.05 0.00 -0.02 -1.26 -4.54 135.00 129.14 2jig n PRO 248 Ca -0.16 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.59 2jig n PRO 248 Cb 0.62 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 2jig n PRO 248 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jig s ILE 249 N -1.13 2.60 0.00 4.25 1.09 -0.19 -4.65 121.20 123.17 2jig s ILE 249 Ca 0.58 0.56 0.00 0.00 -1.10 0.00 0.00 60.65 60.69 2jig s ILE 249 Cb -0.57 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 2jig s ILE 249 CO 0.61 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 176.16 2jig n GLY 250 N 0.69 3.26 0.17 6.18 0.00 -1.26 -5.00 105.19 109.23 2jig n GLY 250 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2jig n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93