#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i72 n GLY 62 N 0.00 5.54 3.77 -1.23 0.00 -1.26 -5.13 105.19 106.88 3i72 n GLY 62 Ca 0.00 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3i72 n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i72 s GLU 63 N -0.15 4.36 0.53 1.61 8.01 -1.26 -5.06 118.70 126.74 3i72 s GLU 63 Ca 0.00 1.57 -0.19 0.00 0.01 0.00 0.00 54.97 56.36 3i72 s GLU 63 Cb 0.00 -2.77 -0.07 0.00 -4.31 0.00 0.00 34.13 26.99 3i72 s GLU 63 CO 0.00 0.02 1.09 -2.14 0.01 0.00 0.00 175.26 174.24 3i72 s PRO 64 N -2.12 3.52 -0.06 0.39 0.02 -1.26 -4.77 135.00 130.71 3i72 s PRO 64 Ca 0.53 1.47 -0.17 0.00 0.02 0.00 0.00 61.00 62.85 3i72 s PRO 64 Cb -0.24 -2.04 0.03 0.00 0.02 0.00 0.00 34.50 32.27 3i72 s PRO 64 CO 0.31 -0.69 0.39 0.08 -0.33 0.00 0.00 177.00 176.76 3i72 s VAL 65 N -1.93 0.03 -0.23 3.83 1.01 -1.26 -5.02 120.40 116.84 3i72 s VAL 65 Ca 0.70 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 3i72 s VAL 65 Cb -0.20 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3i72 s VAL 65 CO 0.25 -0.15 0.16 -0.69 0.00 0.00 0.00 175.10 174.67 3i72 s VAL 66 N -0.87 5.37 0.00 2.92 1.01 -1.26 -4.33 120.40 123.24 3i72 s VAL 66 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3i72 s VAL 66 Cb -0.04 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3i72 s VAL 66 CO 0.04 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3i72 n GLY 67 N 4.02 1.56 1.38 4.51 0.00 -1.26 -4.85 105.19 110.56 3i72 n GLY 67 Ca -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3i72 n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i72 n THR 68 N 1.83 0.00 0.00 2.61 5.66 -1.22 -4.76 114.28 118.41 3i72 n THR 68 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i72 n THR 68 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i72 n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i72 n GLY 69 N -0.17 1.97 1.51 1.09 0.00 0.39 -4.76 105.19 105.22 3i72 n GLY 69 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3i72 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i72 n ALA 70 N 0.00 3.32 -3.93 4.61 0.00 -1.23 -4.46 120.51 118.81 3i72 n ALA 70 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3i72 n ALA 70 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 3i72 n ALA 70 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i72 n SER 71 N 1.45 -0.63 -4.47 0.00 3.41 -1.26 -4.72 113.62 107.40 3i72 n SER 71 Ca 0.00 -0.98 -0.46 0.00 -0.26 0.00 0.00 58.87 57.17 3i72 n SER 71 Cb 0.40 -3.18 -0.08 0.00 -0.26 0.00 0.00 64.21 61.09 3i72 n SER 71 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i72 n LEU 72 N -4.39 1.68 0.00 1.04 4.77 -1.26 -4.92 117.00 113.91 3i72 n LEU 72 Ca -0.29 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.68 3i72 n LEU 72 Cb 0.67 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 3i72 n LEU 72 CO 0.75 -0.92 -0.12 -1.54 -1.33 0.00 0.00 177.39 174.23 3i72 n SER 73 N 11.21 1.09 -3.86 -1.43 3.41 -1.26 -1.98 113.62 120.79 3i72 n SER 73 Ca 0.47 -2.62 -0.11 0.00 -0.26 0.00 0.00 58.87 56.34 3i72 n SER 73 Cb 0.24 0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 64.89 3i72 n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i72 s VAL 74 N -2.71 0.09 0.03 -3.33 0.11 -0.80 -4.78 120.40 109.01 3i72 s VAL 74 Ca 0.16 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 3i72 s VAL 74 Cb 0.01 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 3i72 s VAL 74 CO 0.11 -0.43 0.10 -1.61 -3.33 0.00 0.00 175.10 169.94 3i72 s GLU 75 N -1.89 3.06 -0.22 1.54 2.02 -1.26 -2.02 118.70 119.92 3i72 s GLU 75 Ca -0.11 -0.53 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 3i72 s GLU 75 Cb -0.05 -2.85 0.08 0.00 0.10 0.00 0.00 34.13 31.41 3i72 s GLU 75 CO -0.00 0.62 0.09 -0.51 0.02 0.00 0.00 175.26 175.48 3i72 s LEU 76 N -2.01 0.68 0.00 1.80 1.43 -0.28 -4.96 118.68 115.34 3i72 s LEU 76 Ca 0.26 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 3i72 s LEU 76 Cb -0.12 -0.38 0.05 0.00 0.03 0.00 0.00 46.19 45.77 3i72 s LEU 76 CO 0.18 -0.38 0.63 0.61 0.23 0.00 0.00 176.35 177.62 3i72 n GLY 77 N 5.20 0.39 3.46 -3.19 0.00 -1.26 -1.72 105.19 108.07 3i72 n GLY 77 Ca -0.07 -0.93 -0.49 0.00 0.00 0.00 0.00 46.02 44.54 3i72 n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i72 n PRO 78 N -0.45 0.33 -0.70 1.61 -0.02 -1.26 -2.99 135.00 131.52 3i72 n PRO 78 Ca 0.02 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3i72 n PRO 78 Cb 0.28 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3i72 n PRO 78 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i72 n ARG 79 N 1.07 0.00 -0.16 -0.52 5.12 -1.26 -4.77 116.66 116.15 3i72 n ARG 79 Ca 0.17 0.11 -0.11 0.00 -1.93 0.00 0.00 57.85 56.08 3i72 n ARG 79 Cb 0.24 -2.30 0.00 0.00 -1.16 0.00 0.00 32.46 29.24 3i72 n ARG 79 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3i72 h LEU 80 N 0.00 1.02-10.10 0.55 3.38 -1.90 -3.41 115.31 104.84 3i72 h LEU 80 Ca 0.00 -0.39 -0.52 0.00 0.09 0.00 0.00 57.88 57.06 3i72 h LEU 80 Cb 0.00 -0.28 0.10 0.00 0.09 0.00 0.00 40.66 40.57 3i72 h LEU 80 CO 0.00 1.19 0.45 -0.76 0.09 0.00 0.00 178.44 179.41 3i72 s LEU 81 N -9.07 3.68 0.00 1.67 1.43 -1.26 -3.00 118.68 112.13 3i72 s LEU 81 Ca -0.11 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3i72 s LEU 81 Cb 0.12 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3i72 s LEU 81 CO 0.87 -1.46 0.00 0.35 0.23 0.00 0.00 176.35 176.34 3i72 n THR 82 N -1.55 0.00 -3.42 5.49 -2.24 -0.18 -4.97 114.28 107.42 3i72 n THR 82 Ca 0.13 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 3i72 n THR 82 Cb 0.50 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3i72 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3i72 s SER 83 N -2.18 6.44 -0.10 3.42 0.15 -1.16 -4.93 113.70 115.33 3i72 s SER 83 Ca 0.00 0.65 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3i72 s SER 83 Cb 0.00 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.20 3i72 s SER 83 CO 0.00 -0.16 -0.17 -0.63 1.20 0.00 0.00 173.24 173.48 3i72 s ILE 84 N -2.03 1.61 0.44 6.45 1.01 -1.26 -1.68 121.20 125.73 3i72 s ILE 84 Ca 0.43 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3i72 s ILE 84 Cb -0.11 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3i72 s ILE 84 CO 0.29 0.46 0.13 -0.31 0.00 0.00 0.00 174.94 175.52 3i72 s TYR 85 N 0.79 1.78 0.52 3.97 2.02 -0.63 -2.02 117.35 123.77 3i72 s TYR 85 Ca -0.10 -1.31 0.05 0.00 -0.37 0.00 0.00 57.07 55.34 3i72 s TYR 85 Cb -0.16 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.23 3i72 s TYR 85 CO 0.01 -0.30 0.31 0.16 -1.57 0.00 0.00 175.55 174.17 3i72 s ASP 86 N -3.66 4.54 0.59 2.29 3.84 -0.79 -0.13 116.67 123.36 3i72 s ASP 86 Ca 0.20 -1.27 0.05 0.00 -0.00 0.00 0.00 52.55 51.53 3i72 s ASP 86 Cb 0.01 0.28 0.29 0.00 -1.38 0.00 0.00 42.92 42.12 3i72 s ASP 86 CO 0.13 -0.97 1.12 1.23 -0.00 0.00 0.00 175.17 176.68 3i72 h GLY 87 N 0.95 0.00 -2.07 2.12 0.00 -1.70 0.26 103.07 102.63 3i72 h GLY 87 Ca -0.39 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3i72 h GLY 87 CO 0.62 0.00 -0.77 0.29 0.00 0.00 0.00 176.54 176.68 3i72 n ILE 88 N -2.41 1.20 -2.11 2.60 -5.35 -1.26 -2.94 119.36 109.09 3i72 n ILE 88 Ca -0.00 -2.26 -0.16 0.00 -0.27 0.00 0.00 62.75 60.06 3i72 n ILE 88 Cb 0.82 0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 3i72 n ILE 88 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3i72 n GLN 89 N -0.37 -1.22 -3.72 6.28 7.27 0.92 -5.01 117.38 121.54 3i72 n GLN 89 Ca 0.14 0.83 -0.37 0.00 0.07 0.00 0.00 57.00 57.66 3i72 n GLN 89 Cb 0.91 -5.15 -0.06 0.00 2.41 0.00 0.00 30.24 28.34 3i72 n GLN 89 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3i72 s ARG 90 N -4.46 3.64 1.29 3.69 1.70 -1.26 -4.46 118.95 119.09 3i72 s ARG 90 Ca 0.00 0.10 -0.19 0.00 -0.47 0.00 0.00 55.73 55.17 3i72 s ARG 90 Cb 0.00 -3.20 0.30 0.00 -0.57 0.00 0.00 34.95 31.48 3i72 s ARG 90 CO 0.00 0.74 0.73 -2.30 -1.08 0.00 0.00 175.30 173.39 3i72 n PRO 91 N 1.89 -3.51 -1.50 3.89 -0.02 -1.26 -1.88 135.00 132.60 3i72 n PRO 91 Ca -0.17 -1.03 -0.42 0.00 -2.02 0.00 0.00 63.50 59.86 3i72 n PRO 91 Cb 0.54 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 32.05 3i72 n PRO 91 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i72 n LEU 92 N -4.42 1.65 -0.17 2.45 -0.00 -0.86 -3.02 117.00 112.63 3i72 n LEU 92 Ca 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 3i72 n LEU 92 Cb 0.55 -1.29 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 3i72 n LEU 92 CO 0.44 -1.07 0.00 -0.62 -0.00 0.00 0.00 177.39 176.14 3i72 n GLU 93 N 8.62 0.00 -4.34 1.47 -0.58 -1.26 -5.12 120.64 119.43 3i72 n GLU 93 Ca 0.47 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.97 3i72 n GLU 93 Cb 0.30 -0.45 -0.08 0.00 -0.57 0.00 0.00 31.44 30.64 3i72 n GLU 93 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3i72 s VAL 94 N -1.41 2.84 0.00 2.62 1.01 -1.17 -5.14 120.40 119.16 3i72 s VAL 94 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.96 3i72 s VAL 94 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3i72 s VAL 94 CO 0.00 -0.28 0.00 2.30 0.00 0.00 0.00 175.10 177.12 3i72 n ILE 95 N -0.89 0.00 -4.28 2.22 -0.00 -1.26 -5.05 119.36 110.10 3i72 n ILE 95 Ca -0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.43 3i72 n ILE 95 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 40.16 3i72 n ILE 95 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 3i72 s ARG 96 N 2.63 2.10 0.00 6.28 3.00 -1.26 -4.74 118.95 126.96 3i72 s ARG 96 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 55.73 54.49 3i72 s ARG 96 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 34.95 32.76 3i72 s ARG 96 CO 0.00 0.44 0.00 -1.91 0.00 0.00 0.00 175.30 173.83 3i72 n GLU 97 N 0.05 0.00 -3.56 3.54 2.13 -1.26 -4.81 120.64 116.72 3i72 n GLU 97 Ca -0.11 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.64 3i72 n GLU 97 Cb 0.55 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.24 3i72 n GLU 97 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3i72 s LYS 98 N 1.29 0.84 0.00 5.31 2.36 -1.26 -4.95 119.74 123.33 3i72 s LYS 98 Ca 0.00 -0.35 0.00 0.00 -2.55 0.00 0.00 55.97 53.07 3i72 s LYS 98 Cb 0.00 0.36 0.00 0.00 -1.05 0.00 0.00 37.83 37.14 3i72 s LYS 98 CO 0.00 -0.37 0.00 -2.37 1.55 0.00 0.00 175.35 174.16 3i72 n THR 99 N -0.29 0.00 0.00 3.43 5.66 -1.26 -4.41 114.28 117.41 3i72 n THR 99 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3i72 n THR 99 Cb 0.61 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 3i72 n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i72 n GLY 100 N 5.00 2.91 0.93 1.09 0.00 -1.22 -4.49 105.19 109.42 3i72 n GLY 100 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i72 n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i72 n ASP 101 N 0.00 1.09 0.00 1.61 8.00 -1.26 -3.22 116.55 122.76 3i72 n ASP 101 Ca 0.00 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.70 3i72 n ASP 101 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3i72 n ASP 101 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3i72 n PHE 102 N 0.74 -1.48 -4.01 1.24 1.16 -1.26 -4.55 117.46 109.29 3i72 n PHE 102 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 3i72 n PHE 102 Cb 0.19 0.30 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 3i72 n PHE 102 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i72 s ILE 103 N -1.75 0.07 0.06 1.97 1.09 -1.20 0.15 121.20 121.59 3i72 s ILE 103 Ca 0.00 -1.52 -0.26 0.00 -1.10 0.00 0.00 60.65 57.77 3i72 s ILE 103 Cb 0.00 -1.93 0.08 0.00 -1.06 0.00 0.00 42.46 39.55 3i72 s ILE 103 CO 0.00 -0.30 0.71 0.00 -0.10 0.00 0.00 174.94 175.25 3i72 s ALA 104 N -3.99 -1.71 0.22 9.38 0.00 -1.26 -3.41 121.76 120.99 3i72 s ALA 104 Ca 0.20 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.06 3i72 s ALA 104 Cb 0.04 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 3i72 s ALA 104 CO 0.01 -0.64 -0.05 -0.98 0.00 0.00 0.00 175.76 174.11 3i72 s ARG 105 N -2.91 1.30 0.00 0.00 1.70 -1.26 -4.77 118.95 113.01 3i72 s ARG 105 Ca -0.01 -1.63 0.00 0.00 -0.47 0.00 0.00 55.73 53.62 3i72 s ARG 105 Cb -0.01 -0.74 0.00 0.00 -0.57 0.00 0.00 34.95 33.63 3i72 s ARG 105 CO -0.06 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 3i72 n GLY 106 N -0.39 6.35 0.00 3.88 0.00 -1.26 -4.58 105.19 109.19 3i72 n GLY 106 Ca -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3i72 n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i72 n VAL 107 N 0.00 0.00 -0.80 1.61 0.31 -1.26 -5.05 118.33 113.15 3i72 n VAL 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i72 n VAL 107 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i72 n VAL 107 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3i72 n THR 108 N 0.00 0.06 -4.24 2.52 -2.24 -1.26 -4.56 114.28 104.56 3i72 n THR 108 Ca 0.00 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 3i72 n THR 108 Cb 0.00 1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 3i72 n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i72 s ALA 109 N -0.06 3.32 0.00 6.98 0.00 -1.26 -5.08 121.76 125.66 3i72 s ALA 109 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3i72 s ALA 109 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3i72 s ALA 109 CO 0.00 0.66 0.00 -0.35 0.00 0.00 0.00 175.76 176.07 3i72 n PRO 110 N 1.22 0.55 0.09 0.00 -0.04 -1.26 -4.88 135.00 130.68 3i72 n PRO 110 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3i72 n PRO 110 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3i72 n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i72 n ALA 111 N -3.00 0.00 -2.93 0.55 0.00 -1.26 -4.40 120.51 109.46 3i72 n ALA 111 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3i72 n ALA 111 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3i72 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i72 s LEU 112 N -5.70 2.11 0.10 0.00 1.02 -1.26 -4.86 118.68 110.09 3i72 s LEU 112 Ca 0.00 -0.52 -0.31 0.00 0.02 0.00 0.00 54.13 53.32 3i72 s LEU 112 Cb 0.00 -1.40 -0.09 0.00 0.02 0.00 0.00 46.19 44.72 3i72 s LEU 112 CO 0.00 0.21 1.68 -2.16 0.02 0.00 0.00 176.35 176.10 3i72 s PRO 113 N 0.04 4.18 0.31 1.29 0.04 -1.26 -4.92 135.00 134.69 3i72 s PRO 113 Ca -0.10 2.41 0.22 0.00 0.04 0.00 0.00 61.00 63.57 3i72 s PRO 113 Cb -0.15 -3.49 0.15 0.00 0.04 0.00 0.00 34.50 31.05 3i72 s PRO 113 CO 0.06 -0.73 1.31 0.00 0.04 0.00 0.00 177.00 177.68 3i72 h ARG 114 N 8.03 0.00 0.00 4.56 2.47 -2.00 -3.34 114.38 124.10 3i72 h ARG 114 Ca -0.43 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.13 3i72 h ARG 114 Cb 1.21 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3i72 h ARG 114 CO 0.93 0.03 -0.76 0.38 0.56 0.00 0.00 179.97 181.11 3i72 h ASP 115 N 0.00 0.00 -3.82 7.04 2.03 -2.01 -3.40 116.42 116.26 3i72 h ASP 115 Ca -0.01 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.77 3i72 h ASP 115 Cb 1.03 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 39.60 3i72 h ASP 115 CO 0.00 0.76 0.65 -0.75 -1.03 0.00 0.00 179.24 178.87 3i72 s LYS 116 N -2.87 4.34 -0.21 4.15 2.36 -1.25 -4.95 119.74 121.31 3i72 s LYS 116 Ca 0.02 2.23 -0.09 0.00 -2.55 0.00 0.00 55.97 55.58 3i72 s LYS 116 Cb 0.09 -3.08 -0.04 0.00 -1.05 0.00 0.00 37.83 33.75 3i72 s LYS 116 CO 0.78 -0.22 0.10 0.15 1.55 0.00 0.00 175.35 177.72 3i72 s LYS 117 N -1.62 4.01 -0.04 4.03 1.02 -1.26 -4.15 119.74 121.72 3i72 s LYS 117 Ca 0.50 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 56.20 3i72 s LYS 117 Cb -0.40 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 3i72 s LYS 117 CO 0.52 0.17 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.43 3i72 s TRP 118 N 0.70 2.82 -0.31 3.18 0.52 -0.01 -4.84 118.94 121.01 3i72 s TRP 118 Ca 0.06 -0.07 -0.29 0.00 0.02 0.00 0.00 56.10 55.82 3i72 s TRP 118 Cb -0.13 -1.65 0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3i72 s TRP 118 CO 0.02 0.28 1.06 -1.58 0.02 0.00 0.00 176.95 176.75 3i72 s HIS 119 N -0.82 3.17 -0.19 -1.98 5.65 -1.26 -1.37 115.29 118.49 3i72 s HIS 119 Ca 0.13 1.22 -0.07 0.00 0.25 0.00 0.00 55.06 56.59 3i72 s HIS 119 Cb -0.11 -3.63 -0.04 0.00 -1.18 0.00 0.00 32.58 27.62 3i72 s HIS 119 CO 0.02 -0.73 0.05 0.12 -0.65 0.00 0.00 174.74 173.55 3i72 s PHE 120 N 3.59 3.17 -0.27 3.88 2.19 -0.24 -3.93 117.98 126.37 3i72 s PHE 120 Ca 0.45 -0.10 -0.03 0.00 0.33 0.00 0.00 56.93 57.59 3i72 s PHE 120 Cb -0.13 -2.10 0.03 0.00 -1.31 0.00 0.00 43.02 39.51 3i72 s PHE 120 CO 0.14 0.00 -0.02 0.42 1.83 0.00 0.00 175.22 177.59 3i72 s ILE 121 N 0.68 3.10 0.46 3.12 1.01 -0.32 -2.75 121.20 126.50 3i72 s ILE 121 Ca 0.02 -1.04 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 3i72 s ILE 121 Cb -0.13 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.64 3i72 s ILE 121 CO 0.02 0.11 1.25 -2.16 0.00 0.00 0.00 174.94 174.16 3i72 s PRO 122 N 1.34 3.68 0.00 2.79 0.04 -1.26 -0.51 135.00 141.08 3i72 s PRO 122 Ca -0.01 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3i72 s PRO 122 Cb -0.17 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3i72 s PRO 122 CO -0.02 -0.68 0.34 1.63 0.04 0.00 0.00 177.00 178.31 3i72 n LYS 123 N -0.41 -0.49 -4.22 4.56 4.76 0.20 -4.83 118.16 117.72 3i72 n LYS 123 Ca 0.07 -0.34 -0.13 0.00 -2.87 0.00 0.00 58.31 55.04 3i72 n LYS 123 Cb 0.46 -0.84 -0.10 0.00 -1.84 0.00 0.00 35.03 32.71 3i72 n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i72 s ALA 124 N -0.03 1.25 0.11 7.82 0.00 -1.13 -4.89 121.76 124.89 3i72 s ALA 124 Ca 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.42 3i72 s ALA 124 Cb 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 3i72 s ALA 124 CO 0.00 -0.40 -0.13 -1.59 0.00 0.00 0.00 175.76 173.63 3i72 s LYS 125 N -3.98 0.96 -0.10 0.00 -2.85 -1.26 -5.01 119.74 107.50 3i72 s LYS 125 Ca 0.27 -1.18 -0.40 0.00 -1.00 0.00 0.00 55.97 53.66 3i72 s LYS 125 Cb 0.07 -0.84 -0.17 0.00 -2.06 0.00 0.00 37.83 34.83 3i72 s LYS 125 CO 0.05 0.16 1.43 0.28 0.10 0.00 0.00 175.35 177.37 3i72 n VAL 126 N 0.65 0.08 0.00 1.79 0.31 -1.26 -0.95 118.33 118.96 3i72 n VAL 126 Ca -0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3i72 n VAL 126 Cb 0.57 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3i72 n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i72 n GLY 127 N 2.96 0.96 3.70 2.92 0.00 0.16 -5.02 105.19 110.87 3i72 n GLY 127 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3i72 n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i72 s ASP 128 N -1.81 6.90 0.25 1.61 1.01 -0.12 -4.79 116.67 119.71 3i72 s ASP 128 Ca 0.00 2.15 -0.30 0.00 0.71 0.00 0.00 52.55 55.11 3i72 s ASP 128 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3i72 s ASP 128 CO 0.00 -0.64 1.17 -0.75 0.21 0.00 0.00 175.17 175.16 3i72 s LYS 129 N 1.72 4.54 0.07 8.23 2.20 -1.26 -1.39 119.74 133.85 3i72 s LYS 129 Ca 0.63 1.90 0.01 0.00 -0.36 0.00 0.00 55.97 58.14 3i72 s LYS 129 Cb -0.32 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3i72 s LYS 129 CO 0.28 0.03 -0.05 0.14 -0.36 0.00 0.00 175.35 175.39 3i72 s VAL 130 N -0.72 0.49 0.23 4.02 -7.23 0.20 -4.96 120.40 112.43 3i72 s VAL 130 Ca 0.48 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3i72 s VAL 130 Cb -0.33 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 3i72 s VAL 130 CO 0.41 -0.83 0.04 0.68 -0.31 0.00 0.00 175.10 175.09 3i72 s VAL 131 N -3.32 0.74 0.10 1.32 -7.23 -1.26 -1.67 120.40 109.08 3i72 s VAL 131 Ca 0.06 -2.00 -0.36 0.00 -1.81 0.00 0.00 61.98 57.87 3i72 s VAL 131 Cb 0.03 -2.40 -0.17 0.00 0.56 0.00 0.00 36.38 34.41 3i72 s VAL 131 CO -0.06 -0.24 1.29 0.61 -0.31 0.00 0.00 175.10 176.40 3i72 n GLY 132 N -0.39 0.35 0.56 2.32 0.00 -0.04 -1.34 105.19 106.66 3i72 n GLY 132 Ca -0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3i72 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i72 n GLY 133 N 2.38 3.35 3.69 -0.02 0.00 0.92 -2.31 105.19 113.20 3i72 n GLY 133 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3i72 n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i72 n ASP 134 N 0.02 2.09 -4.59 1.61 8.00 -0.45 -4.55 116.55 118.69 3i72 n ASP 134 Ca 0.00 0.99 -0.39 0.00 0.71 0.00 0.00 54.79 56.09 3i72 n ASP 134 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 39.52 3i72 n ASP 134 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i72 s ILE 135 N -1.31 5.17 -0.08 0.53 1.01 -1.26 -0.69 121.20 124.57 3i72 s ILE 135 Ca 0.68 0.44 0.12 0.00 0.00 0.00 0.00 60.65 61.90 3i72 s ILE 135 Cb -0.46 -3.73 -0.18 0.00 0.01 0.00 0.00 42.46 38.10 3i72 s ILE 135 CO 0.52 0.09 0.30 2.30 0.00 0.00 0.00 174.94 178.15 3i72 n ILE 136 N 5.16 0.00 -3.86 2.92 -5.35 0.49 -4.63 119.36 114.09 3i72 n ILE 136 Ca -0.09 -0.27 -0.08 0.00 -0.27 0.00 0.00 62.75 62.04 3i72 n ILE 136 Cb 0.50 0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.72 3i72 n ILE 136 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i72 s GLY 137 N -3.23 0.18 -0.08 3.28 0.00 -1.21 0.59 107.32 106.86 3i72 s GLY 137 Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.16 3i72 s GLY 137 CO 0.50 -0.25 -0.18 -0.54 0.00 0.00 0.00 173.10 172.63 3i72 s GLU 138 N -3.33 2.30 -0.27 2.90 2.02 0.33 -0.50 118.70 122.15 3i72 s GLU 138 Ca 0.14 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.50 3i72 s GLU 138 Cb -0.05 -1.82 0.06 0.00 0.10 0.00 0.00 34.13 32.42 3i72 s GLU 138 CO 0.09 0.13 -0.09 0.08 0.02 0.00 0.00 175.26 175.49 3i72 s VAL 139 N 0.42 2.37 -0.72 2.63 1.01 0.52 -1.17 120.40 125.47 3i72 s VAL 139 Ca -0.15 -1.55 -0.26 0.00 0.00 0.00 0.00 61.98 60.03 3i72 s VAL 139 Cb -0.16 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 3i72 s VAL 139 CO 0.06 -0.03 2.31 -2.84 0.00 0.00 0.00 175.10 174.60 3i72 s PRO 140 N 1.15 1.93 -0.07 2.72 0.02 -1.25 0.29 135.00 139.79 3i72 s PRO 140 Ca -0.08 0.62 -0.10 0.00 0.02 0.00 0.00 61.00 61.46 3i72 s PRO 140 Cb -0.20 -4.75 -0.30 0.00 0.02 0.00 0.00 34.50 29.28 3i72 s PRO 140 CO -0.04 -3.89 0.59 1.49 -0.33 0.00 0.00 177.00 174.82 3i72 h GLU 141 N 14.42 0.36 0.00 5.54 4.81 -1.79 -3.46 114.58 134.46 3i72 h GLU 141 Ca -0.06 -0.61 -0.46 0.00 -0.13 0.00 0.00 59.36 58.09 3i72 h GLU 141 Cb 1.08 0.23 -0.12 0.00 0.63 0.00 0.00 28.75 30.57 3i72 h GLU 141 CO 1.09 1.29 -0.43 0.25 -0.73 0.00 0.00 179.01 180.48 3i72 n THR 142 N -3.59 0.00 0.38 0.32 -2.24 -1.14 -4.94 114.28 103.07 3i72 n THR 142 Ca -0.27 -2.23 0.13 0.00 -2.27 0.00 0.00 64.05 59.41 3i72 n THR 142 Cb 1.06 1.02 0.53 0.00 -2.10 0.00 0.00 70.33 70.83 3i72 n THR 142 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3i72 h SER 143 N 1.76 0.00 0.01 3.42 4.64 -1.92 -3.28 113.55 118.18 3i72 h SER 143 Ca -0.24 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.67 3i72 h SER 143 Cb 1.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 3i72 h SER 143 CO 0.36 0.00 -2.33 -0.38 -0.87 0.00 0.00 176.83 173.61 3i72 n ILE 144 N -2.43 1.54 -3.85 0.95 5.41 -1.26 -4.99 119.36 114.73 3i72 n ILE 144 Ca 0.02 -0.39 -0.36 0.00 1.00 0.00 0.00 62.75 63.02 3i72 n ILE 144 Cb 0.25 -1.79 -0.13 0.00 -0.71 0.00 0.00 39.64 37.26 3i72 n ILE 144 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3i72 s ILE 145 N -2.49 3.62 -0.04 1.39 -1.09 -1.24 -5.07 121.20 116.27 3i72 s ILE 145 Ca -0.36 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.21 3i72 s ILE 145 Cb 0.12 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 3i72 s ILE 145 CO 0.54 0.30 1.35 -0.69 -1.23 0.00 0.00 174.94 175.21 3i72 s VAL 146 N 1.49 3.92 0.04 2.92 1.01 -1.26 -2.20 120.40 126.32 3i72 s VAL 146 Ca 0.04 1.25 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 3i72 s VAL 146 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3i72 s VAL 146 CO -0.01 -0.03 0.83 -2.28 0.00 0.00 0.00 175.10 173.62 3i72 s HIS 147 N 2.63 3.72 -0.20 5.22 2.46 0.15 -4.90 115.29 124.36 3i72 s HIS 147 Ca 0.61 1.55 -0.07 0.00 0.47 0.00 0.00 55.06 57.62 3i72 s HIS 147 Cb -0.28 -2.91 -0.04 0.00 -0.13 0.00 0.00 32.58 29.22 3i72 s HIS 147 CO 0.24 0.20 0.07 0.15 -2.47 0.00 0.00 174.74 172.92 3i72 s LYS 148 N 0.21 3.88 -0.26 2.88 -0.14 -1.26 -0.35 119.74 124.69 3i72 s LYS 148 Ca 0.42 -0.39 -0.18 0.00 -1.36 0.00 0.00 55.97 54.47 3i72 s LYS 148 Cb -0.21 -3.25 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 3i72 s LYS 148 CO 0.25 0.13 0.52 0.42 -0.76 0.00 0.00 175.35 175.91 3i72 s ILE 149 N 0.75 5.07 0.03 2.17 -1.09 0.34 -4.98 121.20 123.48 3i72 s ILE 149 Ca 0.03 0.86 0.07 0.00 -2.23 0.00 0.00 60.65 59.39 3i72 s ILE 149 Cb -0.13 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3i72 s ILE 149 CO 0.02 0.07 -0.19 -0.04 -1.23 0.00 0.00 174.94 173.57 3i72 s MET 150 N 2.32 2.08 0.16 2.79 -1.94 -1.26 -0.38 119.30 123.07 3i72 s MET 150 Ca 0.21 -0.97 -0.33 0.00 -1.71 0.00 0.00 55.69 52.89 3i72 s MET 150 Cb -0.16 -2.18 -0.13 0.00 2.01 0.00 0.00 34.83 34.38 3i72 s MET 150 CO 0.09 0.55 1.63 0.28 -0.01 0.00 0.00 175.02 177.56 3i72 n VAL 151 N 1.69 0.05 -1.30 -6.03 0.31 0.14 -4.84 118.33 108.34 3i72 n VAL 151 Ca -0.16 -0.01 -0.34 0.00 -0.01 0.00 0.00 64.34 63.82 3i72 n VAL 151 Cb 0.52 -1.67 0.11 0.00 -0.91 0.00 0.00 33.84 31.89 3i72 n VAL 151 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i72 s PRO 152 N 1.21 1.96 0.53 5.55 0.02 -1.26 -0.05 135.00 142.95 3i72 s PRO 152 Ca 0.79 1.70 -0.22 0.00 0.02 0.00 0.00 61.00 63.29 3i72 s PRO 152 Cb -0.64 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 3i72 s PRO 152 CO 0.37 -1.96 1.38 -2.30 -0.33 0.00 0.00 177.00 174.16 3i72 n PRO 153 N -3.00 1.79 -0.20 5.54 -0.02 -1.26 -2.66 135.00 135.19 3i72 n PRO 153 Ca 0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3i72 n PRO 153 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3i72 n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i72 n GLY 154 N 0.72 1.35 3.63 -1.23 0.00 -1.26 -4.98 105.19 103.42 3i72 n GLY 154 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3i72 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i72 s ILE 155 N -2.76 4.60 0.02 -0.61 1.01 -1.09 -4.98 121.20 117.38 3i72 s ILE 155 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3i72 s ILE 155 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 3i72 s ILE 155 CO 0.00 0.49 -0.01 -1.61 0.00 0.00 0.00 174.94 173.81 3i72 s GLU 156 N 0.12 0.30 0.00 2.79 2.02 -1.26 -0.86 118.70 121.81 3i72 s GLU 156 Ca 0.04 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.49 3i72 s GLU 156 Cb -0.13 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.22 3i72 s GLU 156 CO 0.01 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3i72 n GLY 157 N 1.70 0.08 3.69 -1.39 0.00 -0.67 -3.97 105.19 104.63 3i72 n GLY 157 Ca -0.23 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 3i72 n GLY 157 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i72 s GLU 158 N -2.00 3.37 -0.18 1.61 2.12 -0.29 -0.63 118.70 122.70 3i72 s GLU 158 Ca 0.00 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 3i72 s GLU 158 Cb 0.00 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 3i72 s GLU 158 CO 0.00 0.57 1.46 0.42 -0.54 0.00 0.00 175.26 177.16 3i72 s ILE 159 N -0.48 3.94 -0.06 -3.70 1.01 -0.48 -0.44 121.20 120.97 3i72 s ILE 159 Ca 0.09 1.10 0.19 0.00 0.00 0.00 0.00 60.65 62.04 3i72 s ILE 159 Cb -0.12 -3.82 -0.29 0.00 0.01 0.00 0.00 42.46 38.24 3i72 s ILE 159 CO 0.02 -0.22 0.36 1.33 0.00 0.00 0.00 174.94 176.43 3i72 n VAL 160 N 5.81 0.30 -3.74 2.92 0.24 -0.32 -0.67 118.33 122.88 3i72 n VAL 160 Ca 0.16 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 3i72 n VAL 160 Cb 0.45 -0.09 -0.12 0.00 -1.47 0.00 0.00 33.84 32.61 3i72 n VAL 160 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i72 s GLU 161 N -3.18 0.29 -0.08 7.34 2.12 -1.18 -4.90 118.70 119.11 3i72 s GLU 161 Ca -0.08 0.53 -0.05 0.00 0.36 0.00 0.00 54.97 55.73 3i72 s GLU 161 Cb 0.11 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.55 3i72 s GLU 161 CO 0.82 -0.11 0.20 -1.50 -0.54 0.00 0.00 175.26 174.13 3i72 s ILE 162 N 0.85 -0.03 0.48 -3.70 2.07 -1.26 -0.21 121.20 119.41 3i72 s ILE 162 Ca -0.06 0.11 -0.22 0.00 -1.41 0.00 0.00 60.65 59.07 3i72 s ILE 162 Cb -0.07 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.13 3i72 s ILE 162 CO -0.06 0.04 1.01 0.00 -1.91 0.00 0.00 174.94 174.02 3i72 n ALA 163 N 3.79 0.27 -1.58 1.50 0.00 0.11 -4.97 120.51 119.63 3i72 n ALA 163 Ca -0.21 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 3i72 n ALA 163 Cb 0.55 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 17.96 3i72 n ALA 163 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i72 s GLU 164 N -2.27 2.61 0.09 0.00 2.02 -1.26 -4.69 118.70 115.21 3i72 s GLU 164 Ca 0.67 0.81 -0.32 0.00 0.02 0.00 0.00 54.97 56.15 3i72 s GLU 164 Cb -0.50 -1.96 -0.11 0.00 0.10 0.00 0.00 34.13 31.66 3i72 s GLU 164 CO 0.54 -1.29 1.83 -1.91 0.02 0.00 0.00 175.26 174.45 3i72 n GLU 165 N -3.24 2.66 -0.23 1.61 2.13 -1.26 -4.83 120.64 117.48 3i72 n GLU 165 Ca 0.07 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.86 3i72 n GLU 165 Cb 0.55 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3i72 n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i72 n GLY 166 N 4.20 0.94 3.31 8.31 0.00 -1.11 -5.03 105.19 115.82 3i72 n GLY 166 Ca 0.19 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3i72 n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i72 s ASP 167 N 1.64 3.82 -0.02 1.61 1.11 -1.26 -1.08 116.67 122.49 3i72 s ASP 167 Ca 0.00 -0.41 -0.08 0.00 0.18 0.00 0.00 52.55 52.24 3i72 s ASP 167 Cb 0.00 -1.59 0.01 0.00 1.07 0.00 0.00 42.92 42.41 3i72 s ASP 167 CO 0.00 0.12 0.18 -0.31 1.18 0.00 0.00 175.17 176.33 3i72 s TYR 168 N 0.63 -0.06 0.70 4.23 2.02 -0.47 -4.87 117.35 119.53 3i72 s TYR 168 Ca -0.08 0.11 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 3i72 s TYR 168 Cb -0.16 0.01 0.06 0.00 -0.40 0.00 0.00 41.96 41.47 3i72 s TYR 168 CO 0.03 -0.25 1.02 0.95 -1.57 0.00 0.00 175.55 175.72 3i72 s THR 169 N -0.95 2.41 0.02 -0.71 -4.23 -1.26 -0.83 115.64 110.09 3i72 s THR 169 Ca -0.10 -0.21 0.30 0.00 -1.18 0.00 0.00 61.69 60.49 3i72 s THR 169 Cb -0.06 -3.05 0.35 0.00 1.34 0.00 0.00 72.50 71.08 3i72 s THR 169 CO 0.02 -0.06 1.89 0.16 -0.54 0.00 0.00 174.62 176.09 3i72 h ILE 170 N -0.59 0.11 0.00 2.99 3.07 -1.78 -2.76 117.51 118.55 3i72 h ILE 170 Ca -0.45 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.24 3i72 h ILE 170 Cb 1.31 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.51 3i72 h ILE 170 CO 0.61 0.05 -0.06 -0.62 -1.05 0.00 0.00 178.15 177.07 3i72 n GLU 171 N -3.15 0.13 -2.22 0.16 -0.58 -1.26 -3.69 120.64 110.03 3i72 n GLU 171 Ca 0.01 0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.44 3i72 n GLU 171 Cb 0.37 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 3i72 n GLU 171 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i72 s GLU 172 N -3.05 4.41 -0.07 3.49 2.02 -1.04 -4.98 118.70 119.47 3i72 s GLU 172 Ca 0.12 2.06 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 3i72 s GLU 172 Cb 0.16 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 3i72 s GLU 172 CO 0.58 -0.20 1.26 0.08 0.02 0.00 0.00 175.26 177.00 3i72 s VAL 173 N -0.21 4.14 -1.42 2.63 1.01 -1.26 -4.38 120.40 120.92 3i72 s VAL 173 Ca 0.54 1.46 0.13 0.00 0.00 0.00 0.00 61.98 64.12 3i72 s VAL 173 Cb -0.37 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.11 3i72 s VAL 173 CO 0.41 -0.03 0.82 2.30 0.00 0.00 0.00 175.10 178.60 3i72 n ILE 174 N 4.81 0.00 -3.50 2.22 -6.64 0.92 -4.83 119.36 112.33 3i72 n ILE 174 Ca 0.12 -0.42 -0.13 0.00 -1.77 0.00 0.00 62.75 60.55 3i72 n ILE 174 Cb 0.45 1.21 -0.04 0.00 -1.44 0.00 0.00 39.64 39.82 3i72 n ILE 174 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i72 s ALA 175 N -1.45 -1.77 -0.05 -1.28 0.00 -1.06 0.07 121.76 116.23 3i72 s ALA 175 Ca 0.13 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.23 3i72 s ALA 175 Cb 0.11 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3i72 s ALA 175 CO 0.27 -0.51 -0.11 0.15 0.00 0.00 0.00 175.76 175.55 3i72 s LYS 176 N -2.15 1.43 -0.16 0.00 1.02 0.71 -0.15 119.74 120.45 3i72 s LYS 176 Ca -0.03 -0.38 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 3i72 s LYS 176 Cb -0.01 -1.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.06 3i72 s LYS 176 CO -0.01 0.07 -0.13 0.08 -0.92 0.00 0.00 175.35 174.44 3i72 s VAL 177 N 0.47 2.88 -0.44 3.17 1.01 0.77 -1.17 120.40 127.10 3i72 s VAL 177 Ca -0.10 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 3i72 s VAL 177 Cb -0.13 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3i72 s VAL 177 CO 0.02 0.50 0.91 -0.75 0.00 0.00 0.00 175.10 175.78 3i72 s LYS 178 N 0.79 3.60 0.82 2.72 2.20 0.41 -0.19 119.74 130.09 3i72 s LYS 178 Ca -0.05 0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 55.68 3i72 s LYS 178 Cb -0.15 -3.89 0.09 0.00 -1.51 0.00 0.00 37.83 32.36 3i72 s LYS 178 CO 0.01 -1.14 1.10 0.95 -0.36 0.00 0.00 175.35 175.91 3i72 s THR 179 N 3.63 2.88 0.30 3.43 -4.23 -0.14 -1.14 115.64 120.37 3i72 s THR 179 Ca 0.36 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.20 3i72 s THR 179 Cb -0.11 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.03 3i72 s THR 179 CO 0.24 -0.37 1.83 -0.65 -0.54 0.00 0.00 174.62 175.13 3i72 h PRO 180 N -1.19 0.85 -0.68 3.99 0.11 -1.90 0.14 132.00 133.32 3i72 h PRO 180 Ca -0.48 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.70 3i72 h PRO 180 Cb 1.28 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 3i72 h PRO 180 CO 0.59 0.56 0.24 1.03 -0.21 0.00 0.00 178.00 180.22 3i72 h SER 181 N 0.88 0.22 0.00 -2.05 0.87 -1.96 -3.47 113.55 108.04 3i72 h SER 181 Ca 0.50 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 3i72 h SER 181 Cb 0.63 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3i72 h SER 181 CO -0.27 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 3i72 n GLY 182 N -1.31 1.17 3.75 5.77 0.00 0.48 -5.11 105.19 109.94 3i72 n GLY 182 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3i72 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i72 s GLU 183 N 0.00 4.19 -0.21 1.61 2.12 -1.26 -4.67 118.70 120.49 3i72 s GLU 183 Ca 0.00 2.45 -0.16 0.00 0.36 0.00 0.00 54.97 57.61 3i72 s GLU 183 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 3i72 s GLU 183 CO 0.00 -0.51 0.42 0.42 -0.54 0.00 0.00 175.26 175.05 3i72 s ILE 184 N -0.19 5.18 -0.12 -3.70 -1.09 -1.26 -0.97 121.20 119.05 3i72 s ILE 184 Ca 0.60 0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 59.75 3i72 s ILE 184 Cb -0.45 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.66 3i72 s ILE 184 CO 0.48 0.23 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.80 3i72 s LYS 185 N 1.45 3.29 -0.23 2.79 -0.14 0.73 -4.94 119.74 122.69 3i72 s LYS 185 Ca 0.20 -0.58 -0.12 0.00 -1.36 0.00 0.00 55.97 54.11 3i72 s LYS 185 Cb -0.15 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 3i72 s LYS 185 CO 0.08 0.37 0.22 -1.21 -0.76 0.00 0.00 175.35 174.05 3i72 s GLU 186 N -0.01 4.10 -0.15 1.68 2.02 -1.26 -0.17 118.70 124.91 3i72 s GLU 186 Ca -0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.79 3i72 s GLU 186 Cb -0.14 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 3i72 s GLU 186 CO 0.03 0.05 -0.03 -0.51 0.02 0.00 0.00 175.26 174.82 3i72 s LEU 187 N 1.09 3.31 0.51 1.80 1.43 0.78 -5.02 118.68 122.58 3i72 s LEU 187 Ca 0.10 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3i72 s LEU 187 Cb -0.14 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3i72 s LEU 187 CO 0.05 0.19 0.32 -0.54 0.23 0.00 0.00 176.35 176.61 3i72 s LYS 188 N 0.21 2.27 0.00 1.70 1.02 -1.26 -0.06 119.74 123.62 3i72 s LYS 188 Ca -0.02 -2.00 0.23 0.00 0.02 0.00 0.00 55.97 54.21 3i72 s LYS 188 Cb -0.14 -2.04 1.06 0.00 -0.52 0.00 0.00 37.83 36.20 3i72 s LYS 188 CO 0.03 -0.48 1.75 -1.33 -0.92 0.00 0.00 175.35 174.40 3i72 n MET 189 N -1.61 0.13 -4.47 1.68 2.81 -1.24 -4.80 117.12 109.61 3i72 n MET 189 Ca -0.03 0.09 -0.23 0.00 -1.81 0.00 0.00 57.70 55.72 3i72 n MET 189 Cb 0.64 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.56 3i72 n MET 189 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 3i72 s TYR 190 N -2.84 1.83 0.18 2.03 1.13 -1.26 -4.34 117.35 114.08 3i72 s TYR 190 Ca 0.15 -1.14 -0.15 0.00 -1.41 0.00 0.00 57.07 54.53 3i72 s TYR 190 Cb 0.15 -1.18 0.02 0.00 -1.10 0.00 0.00 41.96 39.85 3i72 s TYR 190 CO 0.40 -0.17 0.44 1.14 -2.51 0.00 0.00 175.55 174.84 3i72 s GLN 191 N -3.82 1.28 0.12 -3.49 -2.07 -0.70 -4.94 119.66 106.03 3i72 s GLN 191 Ca 0.30 -0.93 0.08 0.00 -1.82 0.00 0.00 55.36 52.99 3i72 s GLN 191 Cb 0.06 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 3i72 s GLN 191 CO 0.15 -0.52 -0.16 1.03 -1.32 0.00 0.00 175.29 174.47 3i72 s ARG 192 N -3.89 1.88 -0.10 9.60 0.52 -1.26 -1.13 118.95 124.57 3i72 s ARG 192 Ca 0.11 -1.15 -0.11 0.00 -0.52 0.00 0.00 55.73 54.06 3i72 s ARG 192 Cb 0.01 -2.16 0.03 0.00 0.52 0.00 0.00 34.95 33.34 3i72 s ARG 192 CO -0.03 0.48 0.30 -0.46 0.02 0.00 0.00 175.30 175.61 3i72 s TRP 193 N -1.19 -0.31 -0.17 -0.53 -0.11 -0.86 -4.97 118.94 110.80 3i72 s TRP 193 Ca 0.19 0.75 -0.29 0.00 1.22 0.00 0.00 56.10 57.97 3i72 s TRP 193 Cb -0.11 0.11 -0.03 0.00 -1.50 0.00 0.00 33.47 31.95 3i72 s TRP 193 CO 0.11 -0.17 1.47 -2.14 -4.62 0.00 0.00 176.95 171.60 3i72 s PRO 194 N 0.05 4.04 0.59 5.86 0.02 -1.26 -1.91 135.00 142.39 3i72 s PRO 194 Ca -0.01 1.73 0.29 0.00 0.02 0.00 0.00 61.00 63.03 3i72 s PRO 194 Cb -0.02 -3.92 1.63 0.00 0.02 0.00 0.00 34.50 32.21 3i72 s PRO 194 CO 0.01 -0.97 2.07 -0.39 -0.33 0.00 0.00 177.00 177.38 3i72 h VAL 195 N 5.77 0.46 -0.01 3.83 -1.51 -1.70 0.22 116.25 123.31 3i72 h VAL 195 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3i72 h VAL 195 Cb 1.14 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3i72 h VAL 195 CO 0.98 0.00 -0.09 0.54 -1.23 0.00 0.00 177.57 177.78 3i72 n ARG 196 N -3.80 1.18 -4.43 5.19 5.12 -1.26 -4.69 116.66 113.97 3i72 n ARG 196 Ca 0.02 -0.59 -0.34 0.00 -1.93 0.00 0.00 57.85 55.02 3i72 n ARG 196 Cb 0.37 -1.49 -0.15 0.00 -1.16 0.00 0.00 32.46 30.04 3i72 n ARG 196 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3i72 s VAL 197 N -2.22 2.95 0.15 1.55 1.01 0.06 -5.07 120.40 118.83 3i72 s VAL 197 Ca 0.34 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 3i72 s VAL 197 Cb 0.20 -2.27 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 3i72 s VAL 197 CO 0.41 0.50 1.76 2.29 0.00 0.00 0.00 175.10 180.07 3i72 n LYS 198 N 4.08 2.68 -2.27 2.72 2.85 -1.26 -4.81 118.16 122.14 3i72 n LYS 198 Ca -0.19 0.97 -0.41 0.00 -1.05 0.00 0.00 58.31 57.63 3i72 n LYS 198 Cb 0.52 -2.83 -0.03 0.00 -0.65 0.00 0.00 35.03 32.04 3i72 n LYS 198 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 3i72 s ARG 199 N 1.97 4.42 0.62 -1.58 3.52 -1.26 -4.98 118.95 121.66 3i72 s ARG 199 Ca 0.79 1.99 -0.10 0.00 -0.13 0.00 0.00 55.73 58.28 3i72 s ARG 199 Cb -0.53 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 3i72 s ARG 199 CO 0.36 -0.21 1.01 -1.25 -0.81 0.00 0.00 175.30 174.40 3i72 s PRO 200 N -0.04 3.43 0.28 5.12 0.04 -1.26 -5.09 135.00 137.48 3i72 s PRO 200 Ca 0.56 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 62.08 3i72 s PRO 200 Cb -0.35 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.09 3i72 s PRO 200 CO 0.37 -0.62 0.55 1.52 0.04 0.00 0.00 177.00 178.86 3i72 s TYR 201 N -3.16 0.33 -0.06 0.56 -0.85 -1.26 -4.57 117.35 108.33 3i72 s TYR 201 Ca 0.55 -0.72 -0.21 0.00 -0.52 0.00 0.00 57.07 56.16 3i72 s TYR 201 Cb -0.11 0.31 -0.30 0.00 0.38 0.00 0.00 41.96 42.24 3i72 s TYR 201 CO 0.52 -1.11 0.83 0.87 -1.52 0.00 0.00 175.55 175.14 3i72 h LYS 202 N 2.17 0.27 -2.23 -3.49 1.57 -1.38 -3.46 116.57 110.01 3i72 h LYS 202 Ca -0.26 -0.47 -0.04 0.00 -1.87 0.00 0.00 60.65 58.01 3i72 h LYS 202 Cb 1.25 0.17 -0.23 0.00 0.08 0.00 0.00 32.23 33.51 3i72 h LYS 202 CO 0.34 1.22 -0.06 -2.00 -0.57 0.00 0.00 179.45 178.39 3i72 s GLU 203 N -2.42 0.64 -0.39 3.15 2.12 -1.17 -4.99 118.70 115.63 3i72 s GLU 203 Ca -0.15 1.00 -0.25 0.00 0.36 0.00 0.00 54.97 55.93 3i72 s GLU 203 Cb 0.01 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.59 3i72 s GLU 203 CO 0.81 -0.13 0.89 0.21 -0.54 0.00 0.00 175.26 176.51 3i72 s LYS 204 N 1.14 3.74 0.48 4.30 2.47 -1.26 -0.35 119.74 130.26 3i72 s LYS 204 Ca -0.07 0.41 -0.21 0.00 -1.56 0.00 0.00 55.97 54.55 3i72 s LYS 204 Cb -0.06 -3.84 -0.08 0.00 -1.46 0.00 0.00 37.83 32.40 3i72 s LYS 204 CO -0.11 -1.00 1.05 -0.51 0.16 0.00 0.00 175.35 174.95 3i72 s LEU 205 N 3.46 3.88 0.45 5.43 1.43 0.53 -4.99 118.68 128.87 3i72 s LEU 205 Ca 0.36 1.99 -0.23 0.00 -1.03 0.00 0.00 54.13 55.22 3i72 s LEU 205 Cb -0.12 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.53 3i72 s LEU 205 CO 0.20 -0.79 1.10 -2.16 0.23 0.00 0.00 176.35 174.93 3i72 s PRO 206 N -3.11 3.87 -0.14 1.29 0.04 -1.26 -4.58 135.00 131.11 3i72 s PRO 206 Ca 0.66 1.61 -0.41 0.00 0.04 0.00 0.00 61.00 62.90 3i72 s PRO 206 Cb -0.18 -2.38 -0.19 0.00 0.04 0.00 0.00 34.50 31.79 3i72 s PRO 206 CO 0.22 -0.42 1.30 -2.30 0.04 0.00 0.00 177.00 175.85 3i72 n PRO 207 N -0.48 0.27 0.00 0.56 -0.02 -1.26 -4.80 135.00 129.27 3i72 n PRO 207 Ca 0.07 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3i72 n PRO 207 Cb 0.49 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3i72 n PRO 207 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3i72 n GLU 208 N 2.62 0.00 -4.47 -0.52 2.13 -1.26 -4.75 120.64 114.39 3i72 n GLU 208 Ca 0.23 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.72 3i72 n GLU 208 Cb 0.06 -0.27 -0.13 0.00 0.27 0.00 0.00 31.44 31.37 3i72 n GLU 208 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i72 s VAL 209 N -1.04 3.44 0.48 6.31 1.01 -1.26 -4.40 120.40 124.93 3i72 s VAL 209 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 3i72 s VAL 209 Cb 0.00 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 3i72 s VAL 209 CO 0.00 0.49 1.11 -2.16 0.00 0.00 0.00 175.10 174.54 3i72 s PRO 210 N 0.56 3.73 -0.43 2.72 0.04 -1.26 0.44 135.00 140.80 3i72 s PRO 210 Ca -0.05 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 62.31 3i72 s PRO 210 Cb -0.15 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.16 3i72 s PRO 210 CO 0.03 -0.53 1.01 -1.17 0.04 0.00 0.00 177.00 176.38 3i72 s LEU 211 N -3.26 3.87 -0.29 -3.56 2.96 0.23 -4.41 118.68 114.22 3i72 s LEU 211 Ca 0.66 0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 54.70 3i72 s LEU 211 Cb -0.23 -3.36 0.01 0.00 0.50 0.00 0.00 46.19 43.11 3i72 s LEU 211 CO 0.28 -1.06 1.02 -0.63 -1.32 0.00 0.00 176.35 174.64 3i72 s ILE 212 N 3.92 4.61 -0.13 6.68 -1.09 -1.26 -4.57 121.20 129.36 3i72 s ILE 212 Ca 0.42 1.77 0.22 0.00 -2.23 0.00 0.00 60.65 60.83 3i72 s ILE 212 Cb -0.10 -4.34 -0.30 0.00 -1.58 0.00 0.00 42.46 36.14 3i72 s ILE 212 CO 0.26 -0.34 0.57 0.35 -1.23 0.00 0.00 174.94 174.54 3i72 n THR 213 N 5.63 0.05 -0.97 2.92 -2.24 -1.26 -1.97 114.28 116.44 3i72 n THR 213 Ca 0.11 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3i72 n THR 213 Cb 0.47 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3i72 n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i72 n GLY 214 N 1.27 0.70 3.50 3.38 0.00 -1.26 -4.40 105.19 108.38 3i72 n GLY 214 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3i72 n GLY 214 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i72 s GLN 215 N -0.14 3.52 0.20 1.61 -1.52 -1.26 -1.22 119.66 120.85 3i72 s GLN 215 Ca 0.00 -0.61 -0.11 0.00 -1.95 0.00 0.00 55.36 52.69 3i72 s GLN 215 Cb 0.00 -3.65 0.24 0.00 -0.22 0.00 0.00 33.01 29.38 3i72 s GLN 215 CO 0.00 -0.37 1.74 0.00 -0.25 0.00 0.00 175.29 176.41 3i72 h ARG 216 N 8.40 0.34 -0.49 2.91 3.08 -1.89 0.01 114.38 126.74 3i72 h ARG 216 Ca -0.33 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.60 3i72 h ARG 216 Cb 1.16 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3i72 h ARG 216 CO 0.61 0.22 -0.10 -0.24 -1.07 0.00 0.00 179.97 179.40 3i72 h VAL 217 N 0.35 1.26 0.34 2.04 3.04 -1.84 -0.37 116.25 121.07 3i72 h VAL 217 Ca 0.28 -1.20 -0.02 0.00 -1.01 0.00 0.00 66.70 64.76 3i72 h VAL 217 Cb 0.35 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3i72 h VAL 217 CO -0.30 0.42 -0.16 0.40 -1.01 0.00 0.00 177.57 176.91 3i72 h ILE 218 N 0.80 0.18 -0.33 3.17 2.04 -1.64 -1.46 117.51 120.26 3i72 h ILE 218 Ca 0.13 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.29 3i72 h ILE 218 Cb 0.61 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3i72 h ILE 218 CO 0.04 0.05 0.22 0.44 0.00 0.00 0.00 178.15 178.90 3i72 h ASP 219 N -1.08 0.31 0.00 1.72 3.32 -0.99 -0.43 116.42 119.27 3i72 h ASP 219 Ca -0.05 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 3i72 h ASP 219 Cb 0.42 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3i72 h ASP 219 CO 0.08 0.21 -0.91 0.74 -1.72 0.00 0.00 179.24 177.64 3i72 h THR 220 N 0.36 0.83 0.00 0.35 2.02 -1.16 -3.41 112.91 111.89 3i72 h THR 220 Ca 0.13 -1.94 -0.36 0.00 0.77 0.00 0.00 66.41 65.01 3i72 h THR 220 Cb 0.10 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 68.32 3i72 h THR 220 CO -0.03 0.28 -2.37 0.49 0.37 0.00 0.00 175.52 174.26 3i72 n PHE 221 N -4.50 0.00 -3.01 3.16 3.01 -0.58 -4.73 117.46 110.80 3i72 n PHE 221 Ca -0.23 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.02 3i72 n PHE 221 Cb 0.55 -0.97 -0.02 0.00 -0.01 0.00 0.00 39.48 39.02 3i72 n PHE 221 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3i72 n PHE 222 N -2.82 1.72 -2.09 1.38 3.72 -0.29 -4.54 117.46 114.54 3i72 n PHE 222 Ca -0.34 -3.72 -0.36 0.00 -0.05 0.00 0.00 57.45 52.97 3i72 n PHE 222 Cb 1.11 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 39.26 3i72 n PHE 222 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3i72 s PRO 223 N -2.91 3.16 -0.16 -1.08 0.04 -0.52 -4.69 135.00 128.84 3i72 s PRO 223 Ca 0.42 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 3i72 s PRO 223 Cb 0.34 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 3i72 s PRO 223 CO -0.09 -1.05 0.04 -1.14 0.04 0.00 0.00 177.00 174.80 3i72 s GLN 224 N -3.24 3.78 0.34 4.56 2.00 -1.26 -4.57 119.66 121.26 3i72 s GLN 224 Ca 0.75 -0.37 -0.18 0.00 -2.00 0.00 0.00 55.36 53.55 3i72 s GLN 224 Cb -0.29 -3.11 -0.10 0.00 0.80 0.00 0.00 33.01 30.32 3i72 s GLN 224 CO 0.32 0.35 0.81 0.00 -0.50 0.00 0.00 175.29 176.27 3i72 s ALA 225 N 0.14 3.24 0.05 1.58 0.00 -1.26 0.77 121.76 126.29 3i72 s ALA 225 Ca 0.04 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3i72 s ALA 225 Cb -0.13 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 3i72 s ALA 225 CO 0.01 0.26 1.90 0.15 0.00 0.00 0.00 175.76 178.08 3i72 s LYS 226 N -2.83 4.14 0.00 0.00 1.02 0.17 -1.16 119.74 121.09 3i72 s LYS 226 Ca 0.55 2.57 0.00 0.00 0.02 0.00 0.00 55.97 59.10 3i72 s LYS 226 Cb -0.11 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.20 3i72 s LYS 226 CO 0.17 -0.91 0.00 0.41 -0.92 0.00 0.00 175.35 174.10 3i72 n GLY 227 N 4.42 0.53 3.97 -3.33 0.00 -1.25 -4.21 105.19 105.33 3i72 n GLY 227 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3i72 n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i72 s GLY 228 N -1.07 1.76 -0.08 -0.02 0.00 -0.31 -2.27 107.32 105.34 3i72 s GLY 228 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.24 3i72 s GLY 228 CO 0.00 -0.89 -0.16 -0.51 0.00 0.00 0.00 173.10 171.55 3i72 s THR 229 N -3.39 1.43 0.01 0.90 -4.23 -1.26 -0.90 115.64 108.19 3i72 s THR 229 Ca 0.68 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 3i72 s THR 229 Cb -0.05 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 3i72 s THR 229 CO 0.47 0.42 -0.05 0.00 -0.54 0.00 0.00 174.62 174.92 3i72 s ALA 230 N 0.64 0.43 0.17 3.99 0.00 0.12 -1.77 121.76 125.34 3i72 s ALA 230 Ca -0.14 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 51.55 3i72 s ALA 230 Cb -0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3i72 s ALA 230 CO 0.04 0.06 -0.19 0.00 0.00 0.00 0.00 175.76 175.67 3i72 s ALA 231 N -0.49 2.66 -0.06 0.00 0.00 0.59 0.08 121.76 124.53 3i72 s ALA 231 Ca -0.02 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 3i72 s ALA 231 Cb -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3i72 s ALA 231 CO -0.00 0.48 0.25 -1.50 0.00 0.00 0.00 175.76 175.00 3i72 s ILE 232 N -1.51 0.03 0.24 0.00 2.07 -0.52 -1.77 121.20 119.74 3i72 s ILE 232 Ca 0.21 -0.24 -0.31 0.00 -1.41 0.00 0.00 60.65 58.89 3i72 s ILE 232 Cb -0.09 -0.44 -0.12 0.00 0.13 0.00 0.00 42.46 41.94 3i72 s ILE 232 CO 0.11 -0.13 1.61 -2.65 -1.91 0.00 0.00 174.94 171.97 3i72 n PRO 233 N 2.27 2.58 -1.22 3.50 -0.02 -1.26 0.44 135.00 141.29 3i72 n PRO 233 Ca -0.17 0.92 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 3i72 n PRO 233 Cb 0.57 -2.71 0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3i72 n PRO 233 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i72 n GLY 234 N 2.91 1.13 3.86 -1.23 0.00 0.14 -4.58 105.19 107.42 3i72 n GLY 234 Ca 0.12 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 3i72 n GLY 234 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i72 s PRO 235 N -2.91 3.40 0.33 1.61 0.04 -1.26 -4.70 135.00 131.50 3i72 s PRO 235 Ca 0.16 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.00 3i72 s PRO 235 Cb -0.01 -2.05 0.56 0.00 0.04 0.00 0.00 34.50 33.03 3i72 s PRO 235 CO 0.10 -0.72 1.90 0.74 0.04 0.00 0.00 177.00 179.07 3i72 h PHE 236 N -0.43 0.71 0.00 0.56 0.05 -1.87 -2.29 116.94 113.67 3i72 h PHE 236 Ca -0.44 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.31 3i72 h PHE 236 Cb 1.20 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 38.93 3i72 h PHE 236 CO 0.64 0.57 0.00 0.41 -0.18 0.00 0.00 178.31 179.76 3i72 n GLY 237 N -1.05 -0.67 3.69 -1.45 0.00 -1.26 -4.77 105.19 99.67 3i72 n GLY 237 Ca 0.04 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3i72 n GLY 237 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i72 n SER 238 N -1.46 3.44 -0.81 1.61 2.88 -0.86 -4.87 113.62 113.54 3i72 n SER 238 Ca 0.02 1.08 0.08 0.00 -1.33 0.00 0.00 58.87 58.72 3i72 n SER 238 Cb 0.07 -1.49 0.23 0.00 -0.75 0.00 0.00 64.21 62.27 3i72 n SER 238 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i72 n GLY 239 N 3.46 1.02 0.11 0.46 0.00 -1.26 -4.16 105.19 104.83 3i72 n GLY 239 Ca 0.16 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.81 3i72 n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i72 h LYS 240 N 2.70 0.00 -3.63 1.61 1.57 -1.96 -3.46 116.57 113.40 3i72 h LYS 240 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3i72 h LYS 240 Cb 0.61 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.78 3i72 h LYS 240 CO 0.00 0.00 -0.26 0.95 -0.57 0.00 0.00 179.45 179.57 3i72 s THR 241 N -3.11 0.11 0.00 -0.16 -4.23 -1.26 -4.98 115.64 102.01 3i72 s THR 241 Ca 0.10 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 3i72 s THR 241 Cb 0.12 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.71 3i72 s THR 241 CO 0.61 -0.52 0.68 1.33 -0.54 0.00 0.00 174.62 176.18 3i72 n VAL 242 N -0.06 0.45 -0.23 2.29 0.24 -1.26 -4.80 118.33 114.97 3i72 n VAL 242 Ca -0.16 -0.52 -0.05 0.00 -2.04 0.00 0.00 64.34 61.58 3i72 n VAL 242 Cb 0.63 0.87 0.06 0.00 -1.47 0.00 0.00 33.84 33.92 3i72 n VAL 242 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3i72 h THR 243 N 1.07 1.11 -0.68 3.34 2.02 -1.98 -1.22 112.91 116.58 3i72 h THR 243 Ca 0.00 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 67.03 3i72 h THR 243 Cb 0.60 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 67.13 3i72 h THR 243 CO 0.00 0.15 0.18 0.06 0.37 0.00 0.00 175.52 176.28 3i72 h GLN 244 N 0.82 0.30 -0.30 6.66 -0.00 -1.93 0.24 115.11 120.90 3i72 h GLN 244 Ca 0.25 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.65 58.71 3i72 h GLN 244 Cb -0.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 27.39 3i72 h GLN 244 CO -0.08 0.20 -0.51 0.45 -0.00 0.00 0.00 178.83 178.88 3i72 h HIS 245 N 0.31 1.09 -0.63 0.06 3.86 -1.77 -2.71 115.15 115.36 3i72 h HIS 245 Ca 0.37 -0.38 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3i72 h HIS 245 Cb 0.58 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 3i72 h HIS 245 CO -0.23 1.21 0.38 1.96 0.86 0.00 0.00 177.93 182.11 3i72 h GLN 246 N 0.66 0.73 -0.16 2.45 1.08 -0.15 -2.30 115.11 117.42 3i72 h GLN 246 Ca 0.02 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3i72 h GLN 246 Cb 1.12 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 3i72 h GLN 246 CO 0.12 0.49 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.37 3i72 h LEU 247 N 0.76 -0.15 -0.81 1.46 3.38 -0.53 -0.18 115.31 119.23 3i72 h LEU 247 Ca 0.25 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.29 3i72 h LEU 247 Cb 0.03 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3i72 h LEU 247 CO -0.11 -0.05 0.53 0.00 0.09 0.00 0.00 178.44 178.90 3i72 h ALA 248 N 1.16 1.05 0.00 1.53 0.00 -1.16 -2.67 119.26 119.17 3i72 h ALA 248 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i72 h ALA 248 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3i72 h ALA 248 CO -0.17 0.39 -1.16 0.36 0.00 0.00 0.00 179.25 178.67 3i72 n LYS 249 N -4.55 0.56 -0.02 0.00 2.85 -0.89 -4.53 118.16 111.58 3i72 n LYS 249 Ca 0.09 0.05 0.03 0.00 -1.05 0.00 0.00 58.31 57.43 3i72 n LYS 249 Cb 0.05 -1.74 -0.10 0.00 -0.65 0.00 0.00 35.03 32.58 3i72 n LYS 249 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 3i72 n TRP 250 N -2.50 0.00 -1.67 5.58 7.02 -0.10 -4.63 117.44 121.14 3i72 n TRP 250 Ca -0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 3i72 n TRP 250 Cb 0.54 -0.40 -0.01 0.00 -2.42 0.00 0.00 31.31 29.01 3i72 n TRP 250 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3i72 n SER 251 N -2.12 2.45 -2.44 -0.99 7.64 -1.01 -4.70 113.62 112.45 3i72 n SER 251 Ca -0.08 1.20 -0.21 0.00 1.01 0.00 0.00 58.87 60.79 3i72 n SER 251 Cb 0.52 -1.44 -0.12 0.00 -1.01 0.00 0.00 64.21 62.16 3i72 n SER 251 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i72 n ASP 252 N 0.86 6.41 -4.83 6.43 5.75 -0.83 -4.79 116.55 125.55 3i72 n ASP 252 Ca 0.06 -2.54 -0.35 0.00 -0.01 0.00 0.00 54.79 51.95 3i72 n ASP 252 Cb 0.35 -1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 38.92 3i72 n ASP 252 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i72 s ALA 253 N 1.26 3.75 0.17 2.12 0.00 -1.26 -4.87 121.76 122.92 3i72 s ALA 253 Ca 0.68 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.99 3i72 s ALA 253 Cb 0.28 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.63 3i72 s ALA 253 CO -0.03 0.65 1.42 1.96 0.00 0.00 0.00 175.76 179.77 3i72 h GLN 254 N 4.61 0.00 -5.18 0.00 7.50 -1.28 -3.46 115.11 117.30 3i72 h GLN 254 Ca -0.52 0.00 -0.43 0.00 0.50 0.00 0.00 58.65 58.20 3i72 h GLN 254 Cb 1.21 0.00 -0.26 0.00 0.05 0.00 0.00 27.48 28.48 3i72 h GLN 254 CO 0.60 0.82 -0.79 0.08 -1.50 0.00 0.00 178.83 178.05 3i72 s VAL 255 N -3.08 1.01 -0.09 -0.54 1.01 -1.11 -4.85 120.40 112.76 3i72 s VAL 255 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3i72 s VAL 255 Cb 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3i72 s VAL 255 CO 0.79 0.05 -0.21 -0.69 0.00 0.00 0.00 175.10 175.04 3i72 s VAL 256 N -0.73 1.83 -0.20 2.92 1.01 -0.34 -1.34 120.40 123.55 3i72 s VAL 256 Ca 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3i72 s VAL 256 Cb -0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3i72 s VAL 256 CO 0.01 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 174.92 3i72 s ILE 257 N 0.41 3.26 -0.17 2.22 -1.09 0.59 -2.04 121.20 124.38 3i72 s ILE 257 Ca -0.18 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 3i72 s ILE 257 Cb -0.17 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 3i72 s ILE 257 CO 0.08 0.45 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.60 3i72 s TYR 258 N 1.24 2.79 -0.75 3.97 5.04 -0.87 -0.48 117.35 128.28 3i72 s TYR 258 Ca 0.03 -1.35 -0.07 0.00 -2.44 0.00 0.00 57.07 53.24 3i72 s TYR 258 Cb -0.14 -1.92 0.19 0.00 0.35 0.00 0.00 41.96 40.44 3i72 s TYR 258 CO -0.02 -0.66 0.62 0.42 -1.34 0.00 0.00 175.55 174.57 3i72 s ILE 259 N 1.12 4.51 -0.27 3.14 1.01 0.91 -0.90 121.20 130.72 3i72 s ILE 259 Ca 0.01 -2.96 -0.29 0.00 0.00 0.00 0.00 60.65 57.41 3i72 s ILE 259 Cb -0.14 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.48 3i72 s ILE 259 CO -0.07 -0.97 1.34 -0.83 0.00 0.00 0.00 174.94 174.42 3i72 s GLY 260 N 1.05 1.39 0.23 6.18 0.00 -0.90 -0.04 107.32 115.24 3i72 s GLY 260 Ca 0.19 0.19 0.10 0.00 0.00 0.00 0.00 44.72 45.20 3i72 s GLY 260 CO -0.06 2.64 -0.08 0.00 0.00 0.00 0.00 173.10 175.60 3i72 n GLY 262 N -0.47 1.19 2.77 0.00 0.00 0.92 -4.73 105.19 104.87 3i72 n GLY 262 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3i72 n GLY 262 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i72 n GLU 263 N 0.00 -0.64 -4.46 1.61 1.02 -1.26 -2.14 120.64 114.77 3i72 n GLU 263 Ca 0.00 0.78 -0.27 0.00 -0.02 0.00 0.00 57.16 57.65 3i72 n GLU 263 Cb 0.00 -1.05 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 3i72 n GLU 263 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i72 s ARG 264 N -1.18 1.35 0.00 3.49 6.06 -1.26 -4.25 118.95 123.15 3i72 s ARG 264 Ca 0.10 -1.19 0.00 0.00 -2.50 0.00 0.00 55.73 52.14 3i72 s ARG 264 Cb -0.01 -1.67 0.00 0.00 0.06 0.00 0.00 34.95 33.33 3i72 s ARG 264 CO 0.23 0.40 0.00 0.41 -2.50 0.00 0.00 175.30 173.85 3i72 n GLY 265 N 1.22 1.12 0.00 8.12 0.00 -1.26 -0.89 105.19 113.50 3i72 n GLY 265 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i72 n GLY 265 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i72 n ASN 266 N 2.48 0.05 0.00 1.61 0.23 -1.26 -4.85 115.26 113.52 3i72 n ASN 266 Ca 0.00 -0.59 0.08 0.00 -0.53 0.00 0.00 54.58 53.54 3i72 n ASN 266 Cb 0.00 0.04 0.38 0.00 -2.08 0.00 0.00 39.78 38.12 3i72 n ASN 266 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3i72 n GLU 267 N -0.04 0.13 0.00 -3.83 0.00 -0.07 0.08 120.64 116.91 3i72 n GLU 267 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 57.16 57.42 3i72 n GLU 267 Cb 0.13 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.99 3i72 n GLU 267 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 3i72 n MET 268 N -1.38 1.24 -0.04 5.31 1.56 -1.26 -4.10 117.12 118.45 3i72 n MET 268 Ca 0.06 -0.24 -0.03 0.00 -0.27 0.00 0.00 57.70 57.23 3i72 n MET 268 Cb 0.16 -1.34 -0.14 0.00 2.15 0.00 0.00 33.22 34.04 3i72 n MET 268 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 3i72 n THR 269 N -1.06 1.03 0.16 1.12 -1.04 0.95 -2.49 114.28 112.95 3i72 n THR 269 Ca 0.05 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.05 61.18 3i72 n THR 269 Cb 0.31 -0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 68.28 3i72 n THR 269 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3i72 h ASP 270 N 0.00 -0.29 0.69 8.00 3.45 -0.57 -2.94 116.42 124.76 3i72 h ASP 270 Ca -0.31 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.14 3i72 h ASP 270 Cb 1.79 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.63 3i72 h ASP 270 CO 0.03 -0.20 0.00 0.52 -1.57 0.00 0.00 179.24 178.02 3i72 n VAL 271 N -5.23 0.25 0.00 -1.35 0.31 -1.26 -3.37 118.33 107.67 3i72 n VAL 271 Ca -0.10 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3i72 n VAL 271 Cb 0.16 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3i72 n VAL 271 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3i72 n LEU 272 N -1.41 0.80 -1.47 7.52 7.94 -1.04 -4.61 117.00 124.74 3i72 n LEU 272 Ca 0.09 0.47 -0.01 0.00 -1.11 0.00 0.00 56.01 55.44 3i72 n LEU 272 Cb 0.25 -0.30 0.09 0.00 0.53 0.00 0.00 43.42 43.99 3i72 n LEU 272 CO 0.21 -0.30 0.18 1.21 -1.11 0.00 0.00 177.39 177.58 3i72 n GLU 273 N -1.41 1.51 -0.04 1.96 4.07 -1.22 -4.55 120.64 120.96 3i72 n GLU 273 Ca 0.00 -3.11 -0.05 0.00 -0.06 0.00 0.00 57.16 53.94 3i72 n GLU 273 Cb 0.00 -1.26 -0.05 0.00 -0.06 0.00 0.00 31.44 30.07 3i72 n GLU 273 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3i72 n GLU 274 N -0.48 1.38 -0.31 5.31 4.07 -1.22 -4.53 120.64 124.87 3i72 n GLU 274 Ca 0.18 0.03 0.09 0.00 -0.06 0.00 0.00 57.16 57.40 3i72 n GLU 274 Cb 0.90 -1.20 0.30 0.00 -0.06 0.00 0.00 31.44 31.38 3i72 n GLU 274 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 3i72 h PHE 275 N 0.00 0.98 0.00 4.31 -1.00 -1.81 0.20 116.94 119.62 3i72 h PHE 275 Ca -0.21 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.59 3i72 h PHE 275 Cb 1.40 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.65 3i72 h PHE 275 CO 0.01 0.40 -0.02 -1.35 -1.61 0.00 0.00 178.31 175.73 3i72 h PRO 276 N 0.86 0.00 0.00 1.51 0.11 -1.81 -2.60 132.00 130.07 3i72 h PRO 276 Ca 0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.52 3i72 h PRO 276 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 3i72 h PRO 276 CO -0.22 0.02 -0.92 0.87 -0.21 0.00 0.00 178.00 177.54 3i72 h LYS 277 N 0.00 0.00 -6.60 1.05 1.79 -0.92 -3.48 116.57 108.42 3i72 h LYS 277 Ca -0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 3i72 h LYS 277 Cb 0.21 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.91 3i72 h LYS 277 CO 0.00 0.10 0.98 -0.11 -1.08 0.00 0.00 179.45 179.35 3i72 n LEU 278 N -2.83 3.81 -4.84 2.94 -0.00 -0.26 -4.96 117.00 110.86 3i72 n LEU 278 Ca -0.02 1.05 -0.37 0.00 -0.00 0.00 0.00 56.01 56.67 3i72 n LEU 278 Cb 0.63 -1.54 -0.06 0.00 -0.00 0.00 0.00 43.42 42.45 3i72 n LEU 278 CO 0.40 0.08 -0.02 -0.54 -0.00 0.00 0.00 177.39 177.31 3i72 s LYS 279 N 1.39 3.77 -0.40 1.96 -0.14 -1.26 -1.35 119.74 123.72 3i72 s LYS 279 Ca 0.77 0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 55.25 3i72 s LYS 279 Cb -0.54 -3.24 0.02 0.00 -1.68 0.00 0.00 37.83 32.39 3i72 s LYS 279 CO 0.34 0.67 1.15 0.34 -0.76 0.00 0.00 175.35 177.09 3i72 s ASP 280 N -0.86 6.74 0.32 2.83 2.15 0.25 -4.57 116.67 123.53 3i72 s ASP 280 Ca 0.19 0.79 0.25 0.00 0.43 0.00 0.00 52.55 54.21 3i72 s ASP 280 Cb -0.14 -2.55 1.11 0.00 -0.30 0.00 0.00 42.92 41.04 3i72 s ASP 280 CO 0.08 -1.10 1.75 -0.65 -0.17 0.00 0.00 175.17 175.08 3i72 h PRO 281 N 8.87 0.00 0.00 4.34 0.11 -1.86 0.20 132.00 143.66 3i72 h PRO 281 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3i72 h PRO 281 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i72 h PRO 281 CO 1.08 0.00 -0.68 0.87 -0.21 0.00 0.00 178.00 179.06 3i72 h LYS 282 N 0.00 0.00 0.00 1.05 1.57 -1.91 -3.39 116.57 113.89 3i72 h LYS 282 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i72 h LYS 282 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i72 h LYS 282 CO 0.00 0.00 -0.52 0.25 -0.57 0.00 0.00 179.45 178.61 3i72 n THR 283 N -2.29 0.00 -0.01 -0.16 -2.24 -0.71 -5.01 114.28 103.85 3i72 n THR 283 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3i72 n THR 283 Cb 0.47 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3i72 n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i72 n GLY 284 N 1.36 2.51 3.92 3.38 0.00 0.61 -5.03 105.19 111.94 3i72 n GLY 284 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3i72 n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i72 s LYS 285 N -0.15 2.34 0.26 1.61 1.02 -1.25 -4.68 119.74 118.89 3i72 s LYS 285 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 3i72 s LYS 285 Cb 0.00 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 3i72 s LYS 285 CO 0.00 -1.17 1.18 -2.14 -0.92 0.00 0.00 175.35 172.30 3i72 s PRO 286 N -5.25 4.53 0.34 -1.68 0.02 -1.26 0.87 135.00 132.57 3i72 s PRO 286 Ca 0.59 1.92 0.05 0.00 0.02 0.00 0.00 61.00 63.58 3i72 s PRO 286 Cb -0.11 -3.18 0.69 0.00 0.02 0.00 0.00 34.50 31.93 3i72 s PRO 286 CO 0.46 0.03 1.91 1.25 -0.33 0.00 0.00 177.00 180.32 3i72 h LEU 287 N 4.14 0.74 -1.78 -5.54 5.85 -1.46 -0.87 115.31 116.40 3i72 h LEU 287 Ca -0.47 0.02 0.35 0.00 0.84 0.00 0.00 57.88 58.62 3i72 h LEU 287 Cb 1.22 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 3i72 h LEU 287 CO 0.69 0.45 0.85 0.24 -0.34 0.00 0.00 178.44 180.33 3i72 h MET 288 N 0.83 0.11 0.00 1.25 2.86 -1.81 -0.80 114.93 117.37 3i72 h MET 288 Ca 0.38 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3i72 h MET 288 Cb 0.39 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3i72 h MET 288 CO -0.15 0.07 0.00 0.39 1.06 0.00 0.00 176.91 178.28 3i72 n GLU 289 N -4.33 0.51 -0.77 1.72 1.02 -0.33 -2.08 120.64 116.38 3i72 n GLU 289 Ca 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.43 3i72 n GLU 289 Cb 1.24 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 3i72 n GLU 289 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3i72 n ARG 290 N -0.78 0.00 -4.12 3.49 1.85 -0.32 -4.25 116.66 112.53 3i72 n ARG 290 Ca 0.07 -1.12 -0.15 0.00 -1.00 0.00 0.00 57.85 55.65 3i72 n ARG 290 Cb 0.03 -0.26 -0.11 0.00 -1.05 0.00 0.00 32.46 31.06 3i72 n ARG 290 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3i72 s THR 291 N 0.00 0.83 -0.09 8.89 2.01 -0.93 -1.19 115.64 125.16 3i72 s THR 291 Ca 0.08 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3i72 s THR 291 Cb 0.10 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.70 3i72 s THR 291 CO -0.04 -0.36 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.77 3i72 s VAL 292 N -1.56 0.88 -0.14 3.82 1.01 -0.87 -1.01 120.40 122.53 3i72 s VAL 292 Ca -0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3i72 s VAL 292 Cb -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3i72 s VAL 292 CO 0.01 0.33 0.13 -0.22 0.00 0.00 0.00 175.10 175.35 3i72 s LEU 293 N 1.45 4.32 -0.14 3.92 2.96 -0.68 -2.05 118.68 128.46 3i72 s LEU 293 Ca -0.01 0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 3i72 s LEU 293 Cb -0.13 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.51 3i72 s LEU 293 CO -0.04 0.35 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.60 3i72 s ILE 294 N -0.68 1.33 -0.07 6.68 1.01 -0.08 -1.61 121.20 127.78 3i72 s ILE 294 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3i72 s ILE 294 Cb -0.12 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 3i72 s ILE 294 CO 0.02 0.40 0.24 0.00 0.00 0.00 0.00 174.94 175.61 3i72 s ALA 295 N 1.58 3.82 -0.52 9.38 0.00 0.82 -2.13 121.76 134.71 3i72 s ALA 295 Ca 0.05 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.57 3i72 s ALA 295 Cb -0.13 -2.12 0.22 0.00 0.00 0.00 0.00 23.12 21.10 3i72 s ALA 295 CO -0.10 0.58 0.55 0.09 0.00 0.00 0.00 175.76 176.89 3i72 n ASN 296 N 1.86 1.63 -4.76 0.00 3.02 -0.30 -3.98 115.26 112.72 3i72 n ASN 296 Ca -0.17 -2.95 -0.34 0.00 -0.03 0.00 0.00 54.58 51.09 3i72 n ASN 296 Cb 0.54 -0.65 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3i72 n ASN 296 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3i72 s THR 297 N -1.40 3.08 -0.80 3.41 -4.23 -1.26 -0.06 115.64 114.38 3i72 s THR 297 Ca 0.34 0.54 0.14 0.00 -1.18 0.00 0.00 61.69 61.54 3i72 s THR 297 Cb 0.10 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.99 3i72 s THR 297 CO -0.11 -0.27 1.45 -0.24 -0.54 0.00 0.00 174.62 174.91 3i72 n SER 298 N -2.21 0.21 -1.68 3.99 2.88 -0.91 -2.27 113.62 113.64 3i72 n SER 298 Ca 0.11 0.56 0.09 0.00 -1.33 0.00 0.00 58.87 58.31 3i72 n SER 298 Cb 0.51 -0.60 0.37 0.00 -0.75 0.00 0.00 64.21 63.74 3i72 n SER 298 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i72 n ASN 299 N -1.75 5.00 -4.90 -3.46 0.23 -1.26 -4.95 115.26 104.18 3i72 n ASN 299 Ca 0.02 -2.54 -0.32 0.00 -0.53 0.00 0.00 54.58 51.21 3i72 n ASN 299 Cb 0.14 -0.61 -0.05 0.00 -2.08 0.00 0.00 39.78 37.18 3i72 n ASN 299 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3i72 s MET 300 N -2.02 3.38 0.42 -3.83 -1.94 -0.96 -5.00 119.30 109.34 3i72 s MET 300 Ca 0.53 -0.42 -0.26 0.00 -1.71 0.00 0.00 55.69 53.82 3i72 s MET 300 Cb 0.35 -3.02 -0.10 0.00 2.01 0.00 0.00 34.83 34.07 3i72 s MET 300 CO 0.24 0.63 1.41 -0.35 -0.01 0.00 0.00 175.02 176.93 3i72 n PRO 301 N 0.56 2.29 0.30 2.03 -0.04 -1.26 -4.88 135.00 134.01 3i72 n PRO 301 Ca -0.08 0.81 0.16 0.00 -0.04 0.00 0.00 63.50 64.36 3i72 n PRO 301 Cb 0.52 -2.57 0.96 0.00 -0.04 0.00 0.00 33.50 32.37 3i72 n PRO 301 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i72 h VAL 302 N 2.44 0.45 -0.21 0.52 2.07 -1.97 -2.41 116.25 117.15 3i72 h VAL 302 Ca -0.50 -0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 3i72 h VAL 302 Cb 1.27 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3i72 h VAL 302 CO 0.62 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.73 3i72 h ALA 303 N 2.00 0.34 -0.32 1.67 0.00 -1.91 -1.54 119.26 119.50 3i72 h ALA 303 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3i72 h ALA 303 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i72 h ALA 303 CO 0.00 0.50 0.02 0.00 0.00 0.00 0.00 179.25 179.77 3i72 h ALA 304 N 0.60 0.42 -0.42 0.00 0.00 -1.81 -2.32 119.26 115.74 3i72 h ALA 304 Ca -0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 3i72 h ALA 304 Cb 1.09 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3i72 h ALA 304 CO 0.10 0.15 0.03 0.00 0.00 0.00 0.00 179.25 179.54 3i72 h ARG 305 N 0.35 0.15 -0.89 0.00 3.08 -1.46 -0.94 114.38 114.66 3i72 h ARG 305 Ca 0.09 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.17 3i72 h ARG 305 Cb 0.40 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 3i72 h ARG 305 CO 0.01 0.10 0.59 1.49 -1.07 0.00 0.00 179.97 181.09 3i72 h GLU 306 N 0.15 1.08 0.00 0.04 4.22 -1.27 -2.86 114.58 115.94 3i72 h GLU 306 Ca 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.58 3i72 h GLU 306 Cb 0.28 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i72 h GLU 306 CO -0.32 0.72 0.00 0.00 -2.18 0.00 0.00 179.01 177.23 3i72 h ALA 307 N 1.48 1.00 -0.29 2.92 0.00 -0.64 -3.36 119.26 120.37 3i72 h ALA 307 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3i72 h ALA 307 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i72 h ALA 307 CO -0.11 0.00 0.15 0.66 0.00 0.00 0.00 179.25 179.95 3i72 h SER 308 N 0.00 0.35 1.02 0.00 4.64 -0.98 -1.60 113.55 116.99 3i72 h SER 308 Ca 0.00 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 3i72 h SER 308 Cb 0.79 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3i72 h SER 308 CO 0.00 0.30 -0.74 0.16 -0.87 0.00 0.00 176.83 175.69 3i72 h ILE 309 N 0.41 1.37 -0.30 0.95 3.07 -1.78 0.60 117.51 121.82 3i72 h ILE 309 Ca 0.11 -2.67 -0.18 0.00 1.55 0.00 0.00 64.86 63.67 3i72 h ILE 309 Cb 0.04 2.51 -0.00 0.00 -0.27 0.00 0.00 36.82 39.09 3i72 h ILE 309 CO -0.02 0.72 -0.51 1.88 -1.05 0.00 0.00 178.15 179.17 3i72 h TYR 310 N 0.00 1.09 -0.51 0.16 0.05 -1.58 0.10 116.97 116.28 3i72 h TYR 310 Ca -0.01 -0.38 -0.06 0.00 0.05 0.00 0.00 58.73 58.33 3i72 h TYR 310 Cb 1.45 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 3i72 h TYR 310 CO 0.00 1.20 0.07 1.15 -1.05 0.00 0.00 178.16 179.53 3i72 h THR 311 N 0.68 1.25 0.14 -2.88 2.02 -1.22 -0.87 112.91 112.04 3i72 h THR 311 Ca 0.02 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3i72 h THR 311 Cb 1.12 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3i72 h THR 311 CO 0.12 0.35 -0.07 1.23 0.37 0.00 0.00 175.52 177.51 3i72 h GLY 312 N 0.73 -0.20 1.59 2.16 0.00 -0.81 -2.08 103.07 104.46 3i72 h GLY 312 Ca 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 3i72 h GLY 312 CO 0.01 -0.07 -0.16 1.19 0.00 0.00 0.00 176.54 177.51 3i72 h ILE 313 N -0.36 1.24 -0.69 2.60 2.10 -0.77 -0.70 117.51 120.93 3i72 h ILE 313 Ca -0.02 -1.09 -0.05 0.00 1.08 0.00 0.00 64.86 64.78 3i72 h ILE 313 Cb 0.28 1.21 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 3i72 h ILE 313 CO 0.03 0.35 0.23 0.74 -1.08 0.00 0.00 178.15 178.43 3i72 h THR 314 N 0.44 1.25 -0.27 2.19 2.02 -1.09 0.34 112.91 117.79 3i72 h THR 314 Ca 0.08 -0.83 -0.16 0.00 0.77 0.00 0.00 66.41 66.27 3i72 h THR 314 Cb 0.54 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3i72 h THR 314 CO 0.04 0.33 -0.47 0.40 0.37 0.00 0.00 175.52 176.19 3i72 h ILE 315 N 1.01 1.29 0.24 3.11 2.04 -0.77 -1.75 117.51 122.69 3i72 h ILE 315 Ca 0.23 -1.66 0.01 0.00 1.00 0.00 0.00 64.86 64.43 3i72 h ILE 315 Cb 0.26 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i72 h ILE 315 CO -0.01 0.53 -0.36 0.00 0.00 0.00 0.00 178.15 178.31 3i72 h ALA 316 N 0.91 -0.70 -0.87 1.87 0.00 -0.84 -2.02 119.26 117.60 3i72 h ALA 316 Ca 0.03 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.02 3i72 h ALA 316 Cb 1.02 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 3i72 h ALA 316 CO 0.10 -0.94 0.57 0.93 0.00 0.00 0.00 179.25 179.90 3i72 h GLU 317 N -0.67 0.51 -0.40 0.00 5.08 -0.85 0.10 114.58 118.35 3i72 h GLU 317 Ca 0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 3i72 h GLU 317 Cb 0.64 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3i72 h GLU 317 CO -0.13 0.34 -0.35 -0.92 -1.00 0.00 0.00 179.01 176.95 3i72 h TYR 318 N 0.53 1.13 -0.30 4.33 3.20 -1.00 -1.50 116.97 123.36 3i72 h TYR 318 Ca 0.45 -0.33 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 3i72 h TYR 318 Cb 0.93 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 3i72 h TYR 318 CO -0.00 1.16 -0.47 0.74 -1.64 0.00 0.00 178.16 177.94 3i72 h PHE 319 N 0.78 0.98 -0.75 -3.82 0.04 -0.18 -3.15 116.94 110.84 3i72 h PHE 319 Ca 0.07 -0.32 0.14 0.00 2.80 0.00 0.00 57.97 60.66 3i72 h PHE 319 Cb 0.94 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 38.80 3i72 h PHE 319 CO 0.06 1.11 0.30 0.07 -0.60 0.00 0.00 178.31 179.26 3i72 h ARG 320 N 0.63 0.44 -0.19 1.51 0.11 -0.74 -2.27 114.38 113.87 3i72 h ARG 320 Ca 0.03 -0.03 0.05 0.00 0.10 0.00 0.00 59.98 60.14 3i72 h ARG 320 Cb 1.05 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 3i72 h ARG 320 CO 0.10 0.29 0.27 -0.44 0.10 0.00 0.00 179.97 180.30 3i72 h ASP 321 N 0.46 0.00 1.03 0.08 3.32 -1.23 0.94 116.42 121.02 3i72 h ASP 321 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3i72 h ASP 321 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i72 h ASP 321 CO -0.39 0.00 -0.07 0.23 -1.72 0.00 0.00 179.24 177.29 3i72 n MET 322 N -3.55 0.05 0.00 3.56 2.81 -0.87 -4.82 117.12 114.31 3i72 n MET 322 Ca 0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3i72 n MET 322 Cb 0.39 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3i72 n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i72 n GLY 323 N 1.46 1.12 3.88 3.03 0.00 0.32 -5.02 105.19 109.98 3i72 n GLY 323 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3i72 n GLY 323 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i72 s TYR 324 N -2.00 3.44 -0.05 1.61 2.02 -1.12 -4.61 117.35 116.63 3i72 s TYR 324 Ca 0.00 0.81 -0.20 0.00 -0.37 0.00 0.00 57.07 57.31 3i72 s TYR 324 Cb 0.00 -2.22 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 3i72 s TYR 324 CO 0.00 0.26 0.57 -0.51 -1.57 0.00 0.00 175.55 174.31 3i72 s ASP 325 N -2.50 6.88 -0.01 2.29 1.01 -1.26 -1.98 116.67 121.11 3i72 s ASP 325 Ca 0.46 1.05 0.05 0.00 0.71 0.00 0.00 52.55 54.83 3i72 s ASP 325 Cb -0.11 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 3i72 s ASP 325 CO 0.23 0.03 -0.16 -0.69 0.21 0.00 0.00 175.17 174.79 3i72 s VAL 326 N 0.23 1.27 -0.17 -1.27 1.01 0.01 -0.81 120.40 120.67 3i72 s VAL 326 Ca 0.31 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3i72 s VAL 326 Cb -0.17 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3i72 s VAL 326 CO 0.15 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 3i72 s ALA 327 N -0.42 2.75 -0.20 5.51 0.00 -0.45 -0.96 121.76 127.99 3i72 s ALA 327 Ca 0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3i72 s ALA 327 Cb -0.06 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3i72 s ALA 327 CO -0.00 -0.06 -0.06 -1.17 0.00 0.00 0.00 175.76 174.47 3i72 s LEU 328 N 0.86 2.87 -0.25 0.00 2.96 0.10 -0.30 118.68 124.92 3i72 s LEU 328 Ca -0.02 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3i72 s LEU 328 Cb -0.15 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3i72 s LEU 328 CO 0.01 0.02 -0.05 -0.04 -1.32 0.00 0.00 176.35 174.97 3i72 s MET 329 N 1.25 2.94 -0.27 1.98 -1.94 0.36 -0.81 119.30 122.81 3i72 s MET 329 Ca 0.03 -0.91 -0.05 0.00 -1.71 0.00 0.00 55.69 53.05 3i72 s MET 329 Cb -0.14 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.69 3i72 s MET 329 CO -0.02 -0.37 0.02 0.00 -0.01 0.00 0.00 175.02 174.64 3i72 s ALA 330 N 1.36 2.93 0.68 3.03 0.00 -0.25 -0.06 121.76 129.45 3i72 s ALA 330 Ca 0.01 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 3i72 s ALA 330 Cb -0.16 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 3i72 s ALA 330 CO -0.04 -0.84 1.06 0.34 0.00 0.00 0.00 175.76 176.29 3i72 s ASP 331 N 1.44 5.69 -0.21 0.00 3.68 0.95 0.17 116.67 128.39 3i72 s ASP 331 Ca 0.02 1.33 -0.19 0.00 2.13 0.00 0.00 52.55 55.84 3i72 s ASP 331 Cb -0.17 -2.24 0.06 0.00 -1.45 0.00 0.00 42.92 39.12 3i72 s ASP 331 CO -0.00 -1.21 0.56 -0.55 0.13 0.00 0.00 175.17 174.10 3i72 s SER 332 N -4.17 -0.61 0.41 -0.34 0.15 -1.26 -4.60 113.70 103.28 3i72 s SER 332 Ca 0.57 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.37 3i72 s SER 332 Cb -0.12 1.15 -0.00 0.00 -1.71 0.00 0.00 66.02 65.34 3i72 s SER 332 CO 0.53 -0.20 0.01 0.41 1.20 0.00 0.00 173.24 175.19 3i72 n THR 333 N 2.97 0.00 -1.54 6.45 -1.04 -1.26 -4.26 114.28 115.60 3i72 n THR 333 Ca -0.15 -1.96 -0.32 0.00 -2.04 0.00 0.00 64.05 59.58 3i72 n THR 333 Cb 0.56 0.41 -0.07 0.00 -1.82 0.00 0.00 70.33 69.41 3i72 n THR 333 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3i72 n SER 334 N -1.27 1.63 -3.05 8.00 7.64 -1.26 -3.26 113.62 122.05 3i72 n SER 334 Ca -0.17 -0.58 -0.05 0.00 1.01 0.00 0.00 58.87 59.08 3i72 n SER 334 Cb 0.53 -1.42 0.02 0.00 -1.01 0.00 0.00 64.21 62.33 3i72 n SER 334 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i72 n ARG 335 N 8.67 -1.55 0.00 1.43 5.12 -1.26 -4.89 116.66 124.18 3i72 n ARG 335 Ca 0.46 1.25 0.01 0.00 -1.93 0.00 0.00 57.85 57.65 3i72 n ARG 335 Cb 0.41 -5.61 0.09 0.00 -1.16 0.00 0.00 32.46 26.19 3i72 n ARG 335 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 3i72 n TRP 336 N -2.20 0.00 -3.76 -1.55 2.14 -1.20 -4.73 117.44 106.15 3i72 n TRP 336 Ca -0.02 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.44 3i72 n TRP 336 Cb 0.54 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.97 3i72 n TRP 336 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3i72 s ALA 337 N -2.00 -0.62 0.00 -1.67 0.00 -1.26 -4.67 121.76 111.53 3i72 s ALA 337 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3i72 s ALA 337 Cb 0.02 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3i72 s ALA 337 CO 0.03 -0.48 0.14 -1.91 0.00 0.00 0.00 175.76 173.55 3i72 n GLU 338 N 0.29 0.00 0.00 0.00 4.07 -1.26 -5.13 120.64 118.60 3i72 n GLU 338 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 3i72 n GLU 338 Cb 0.61 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 3i72 n GLU 338 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i72 n ALA 339 N 0.00 0.00 -0.40 4.31 0.00 -1.26 -5.12 120.51 118.04 3i72 n ALA 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i72 n ALA 339 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i72 n ALA 339 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i72 n LEU 340 N 0.00 0.00 0.00 0.00 7.94 -1.26 -5.13 117.00 118.55 3i72 n LEU 340 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i72 n LEU 340 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i72 n LEU 340 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3i72 n GLY 355 N 0.00 0.00 0.86 -3.96 0.00 -1.26 -4.46 105.19 96.37 3i72 n GLY 355 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3i72 n GLY 355 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i72 n TYR 356 N 0.00 0.69 -0.12 1.61 4.19 -1.26 -3.48 117.16 118.79 3i72 n TYR 356 Ca 0.00 -1.39 -0.20 0.00 3.31 0.00 0.00 57.90 59.62 3i72 n TYR 356 Cb 0.00 -0.37 -0.11 0.00 0.49 0.00 0.00 39.34 39.35 3i72 n TYR 356 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3i72 n PRO 357 N -1.07 0.59 0.13 2.98 -0.02 -1.26 -4.78 135.00 131.58 3i72 n PRO 357 Ca 0.26 0.17 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3i72 n PRO 357 Cb 0.89 -1.47 0.37 0.00 -0.02 0.00 0.00 33.50 33.28 3i72 n PRO 357 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i72 h ALA 358 N -0.25 1.46 -0.04 3.55 0.00 -2.02 -3.14 119.26 118.82 3i72 h ALA 358 Ca -0.57 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 53.90 3i72 h ALA 358 Cb 1.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3i72 h ALA 358 CO -0.17 0.38 -0.81 -0.92 0.00 0.00 0.00 179.25 177.74 3i72 h TYR 359 N 0.18 0.51 -0.50 0.00 5.03 -1.87 -2.48 116.97 117.85 3i72 h TYR 359 Ca 0.03 -0.25 -0.05 0.00 2.58 0.00 0.00 58.73 61.04 3i72 h TYR 359 Cb 0.46 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 3i72 h TYR 359 CO 0.01 1.03 0.11 -0.07 -1.32 0.00 0.00 178.16 177.91 3i72 h LEU 360 N 0.23 0.77 -0.63 2.82 3.38 -1.85 -0.99 115.31 119.04 3i72 h LEU 360 Ca -0.05 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.79 3i72 h LEU 360 Cb 1.40 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 3i72 h LEU 360 CO 0.14 0.81 0.21 0.00 0.09 0.00 0.00 178.44 179.69 3i72 h ALA 361 N 0.98 0.81 -0.40 1.53 0.00 -1.50 -1.60 119.26 119.10 3i72 h ALA 361 Ca 0.15 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3i72 h ALA 361 Cb 0.35 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i72 h ALA 361 CO 0.00 -0.22 -0.09 1.03 0.00 0.00 0.00 179.25 179.97 3i72 h SER 362 N 0.38 0.66 -0.55 0.00 0.87 -1.10 -2.04 113.55 111.77 3i72 h SER 362 Ca 0.33 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 3i72 h SER 362 Cb 0.44 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3i72 h SER 362 CO -0.35 0.79 0.15 0.50 -0.53 0.00 0.00 176.83 177.39 3i72 h LYS 363 N 0.63 0.87 -0.61 2.24 3.11 -0.61 -2.70 116.57 119.50 3i72 h LYS 363 Ca 0.11 -0.20 -0.07 0.00 -2.81 0.00 0.00 60.65 57.68 3i72 h LYS 363 Cb 0.52 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 3i72 h LYS 363 CO 0.03 0.80 0.09 1.25 -2.81 0.00 0.00 179.45 178.81 3i72 h LEU 364 N 0.77 0.97 -0.58 5.20 5.85 -1.06 -1.99 115.31 124.48 3i72 h LEU 364 Ca 0.18 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3i72 h LEU 364 Cb 0.31 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3i72 h LEU 364 CO -0.00 0.99 0.30 0.00 -0.34 0.00 0.00 178.44 179.39 3i72 h ALA 365 N 1.02 0.76 -0.70 1.25 0.00 -1.30 -1.06 119.26 119.23 3i72 h ALA 365 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i72 h ALA 365 Cb 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3i72 h ALA 365 CO 0.01 -0.04 0.41 1.49 0.00 0.00 0.00 179.25 181.12 3i72 h GLU 366 N 0.57 0.95 -0.00 0.00 4.81 -1.14 0.24 114.58 120.02 3i72 h GLU 366 Ca 0.26 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3i72 h GLU 366 Cb 0.17 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3i72 h GLU 366 CO -0.18 0.69 -0.25 0.35 -0.73 0.00 0.00 179.01 178.89 3i72 h PHE 367 N 0.95 -0.67 0.00 0.92 3.57 -0.59 -2.10 116.94 119.02 3i72 h PHE 367 Ca 0.25 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3i72 h PHE 367 Cb -0.01 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3i72 h PHE 367 CO -0.01 -0.34 -0.17 1.88 -2.23 0.00 0.00 178.31 177.44 3i72 h TYR 368 N -0.39 0.00 0.00 0.41 0.05 -0.84 -1.61 116.97 114.59 3i72 h TYR 368 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3i72 h TYR 368 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3i72 h TYR 368 CO -0.29 0.17 0.00 -1.91 -1.05 0.00 0.00 178.16 175.09 3i72 n GLU 369 N -3.80 0.03 0.00 4.88 0.00 0.83 -2.12 120.64 120.46 3i72 n GLU 369 Ca -0.02 0.25 0.13 0.00 0.00 0.00 0.00 57.16 57.52 3i72 n GLU 369 Cb 0.28 -1.56 0.46 0.00 0.00 0.00 0.00 31.44 30.61 3i72 n GLU 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i72 n ARG 370 N -1.62 0.51 -2.28 5.31 1.74 -0.61 -4.80 116.66 114.93 3i72 n ARG 370 Ca 0.04 -0.24 -0.38 0.00 -0.77 0.00 0.00 57.85 56.50 3i72 n ARG 370 Cb 0.20 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 3i72 n ARG 370 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i72 s ALA 371 N -2.65 3.13 0.00 7.54 0.00 -0.90 -4.88 121.76 123.99 3i72 s ALA 371 Ca 0.22 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3i72 s ALA 371 Cb 0.19 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3i72 s ALA 371 CO 0.55 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3i72 n GLY 372 N 0.60 2.38 3.77 0.00 0.00 -0.92 -4.91 105.19 106.11 3i72 n GLY 372 Ca 0.05 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 3i72 n GLY 372 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i72 s ARG 373 N -2.00 4.15 0.06 1.61 3.52 -1.26 -1.62 118.95 123.40 3i72 s ARG 373 Ca 0.00 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.99 3i72 s ARG 373 Cb 0.00 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 3i72 s ARG 373 CO 0.00 0.40 -0.07 0.14 -0.81 0.00 0.00 175.30 174.96 3i72 s VAL 374 N -0.13 0.57 -0.21 7.11 -7.23 0.44 -0.35 120.40 120.60 3i72 s VAL 374 Ca 0.23 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 3i72 s VAL 374 Cb -0.15 -0.91 -0.00 0.00 0.56 0.00 0.00 36.38 35.87 3i72 s VAL 374 CO 0.11 -0.53 0.92 -0.69 -0.31 0.00 0.00 175.10 174.59 3i72 s VAL 375 N -2.04 4.79 0.72 1.32 1.01 0.53 -2.10 120.40 124.64 3i72 s VAL 375 Ca -0.04 1.78 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 3i72 s VAL 375 Cb -0.06 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.18 3i72 s VAL 375 CO -0.01 -0.08 1.05 0.42 0.00 0.00 0.00 175.10 176.48 3i72 s THR 376 N 2.74 2.42 0.69 3.92 -4.23 0.15 -1.28 115.64 120.07 3i72 s THR 376 Ca 0.40 -0.12 -0.16 0.00 -1.18 0.00 0.00 61.69 60.62 3i72 s THR 376 Cb -0.16 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.62 3i72 s THR 376 CO 0.09 -0.09 1.26 -0.76 -0.54 0.00 0.00 174.62 174.57 3i72 s LEU 377 N -5.32 3.44 0.00 4.79 1.43 -1.26 -4.36 118.68 117.40 3i72 s LEU 377 Ca 0.60 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 56.21 3i72 s LEU 377 Cb -0.11 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3i72 s LEU 377 CO 0.46 -2.18 0.00 0.61 0.23 0.00 0.00 176.35 175.47 3i72 n GLY 378 N 0.70 2.56 0.09 -3.19 0.00 -0.98 -4.54 105.19 99.83 3i72 n GLY 378 Ca 0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 3i72 n GLY 378 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i72 h SER 379 N 0.00 0.00 -3.65 1.61 0.02 -1.90 -3.46 113.55 106.18 3i72 h SER 379 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3i72 h SER 379 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3i72 h SER 379 CO 0.00 0.84 0.14 1.51 -1.14 0.00 0.00 176.83 178.18 3i72 s ASP 380 N -6.16 7.02 0.04 3.07 -4.77 -1.26 -5.03 116.67 109.59 3i72 s ASP 380 Ca -0.02 1.44 -0.31 0.00 -3.30 0.00 0.00 52.55 50.36 3i72 s ASP 380 Cb 0.09 -2.43 -0.06 0.00 -1.09 0.00 0.00 42.92 39.42 3i72 s ASP 380 CO 0.81 -0.04 1.42 -0.47 0.70 0.00 0.00 175.17 177.59 3i72 s TYR 381 N -1.65 2.94 -0.21 2.11 5.04 -1.26 -4.93 117.35 119.40 3i72 s TYR 381 Ca 0.47 0.82 -0.15 0.00 -2.44 0.00 0.00 57.07 55.76 3i72 s TYR 381 Cb -0.15 -3.69 0.06 0.00 0.35 0.00 0.00 41.96 38.53 3i72 s TYR 381 CO 0.20 -2.53 0.54 0.50 -1.34 0.00 0.00 175.55 172.91 3i72 s ARG 382 N 2.00 0.58 0.01 4.97 3.52 -1.26 -5.05 118.95 123.71 3i72 s ARG 382 Ca 0.65 0.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.20 3i72 s ARG 382 Cb -0.34 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.20 3i72 s ARG 382 CO 0.28 -0.12 -0.25 0.08 -0.81 0.00 0.00 175.30 174.49 3i72 s VAL 383 N 0.92 1.97 0.26 7.11 1.01 -1.26 0.34 120.40 130.75 3i72 s VAL 383 Ca -0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 3i72 s VAL 383 Cb -0.05 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3i72 s VAL 383 CO -0.08 0.45 0.40 -0.83 0.00 0.00 0.00 175.10 175.04 3i72 s GLY 384 N -0.87 0.99 0.03 4.51 0.00 -0.89 -4.38 107.32 106.73 3i72 s GLY 384 Ca 0.10 -1.23 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 3i72 s GLY 384 CO 0.00 -0.89 0.41 -1.35 0.00 0.00 0.00 173.10 171.27 3i72 s SER 385 N -3.11 -0.29 -0.23 1.64 1.04 -0.84 -0.42 113.70 111.49 3i72 s SER 385 Ca 0.28 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 3i72 s SER 385 Cb 0.01 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.57 3i72 s SER 385 CO 0.13 -0.64 -0.09 -0.69 0.98 0.00 0.00 173.24 172.92 3i72 s VAL 386 N -2.32 2.68 -0.14 5.02 1.01 -0.64 -0.81 120.40 125.20 3i72 s VAL 386 Ca -0.06 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 3i72 s VAL 386 Cb -0.01 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3i72 s VAL 386 CO -0.01 0.27 0.16 -0.44 0.00 0.00 0.00 175.10 175.08 3i72 s SER 387 N 1.31 6.36 -0.19 3.32 0.01 -0.13 -2.15 113.70 122.22 3i72 s SER 387 Ca 0.01 0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 3i72 s SER 387 Cb -0.16 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 3i72 s SER 387 CO -0.06 0.30 -0.05 -0.69 0.41 0.00 0.00 173.24 173.16 3i72 s VAL 388 N -0.45 3.54 -0.30 3.43 1.01 -0.08 0.03 120.40 127.58 3i72 s VAL 388 Ca 0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3i72 s VAL 388 Cb -0.12 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.74 3i72 s VAL 388 CO 0.03 0.45 -0.00 -0.63 0.00 0.00 0.00 175.10 174.94 3i72 s ILE 389 N 1.00 2.92 -0.17 2.22 1.01 0.01 0.16 121.20 128.36 3i72 s ILE 389 Ca 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 60.65 59.15 3i72 s ILE 389 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3i72 s ILE 389 CO 0.00 -0.13 0.04 -0.83 0.00 0.00 0.00 174.94 174.03 3i72 s GLY 390 N 1.26 1.88 0.38 6.18 0.00 0.11 -1.09 107.32 116.04 3i72 s GLY 390 Ca -0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 43.66 3i72 s GLY 390 CO -0.02 -0.04 1.08 0.00 0.00 0.00 0.00 173.10 174.12 3i72 s ALA 391 N 0.19 3.16 -0.18 3.20 0.00 0.13 -1.44 121.76 126.81 3i72 s ALA 391 Ca 0.03 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.78 3i72 s ALA 391 Cb -0.13 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3i72 s ALA 391 CO 0.01 -0.27 -0.05 0.08 0.00 0.00 0.00 175.76 175.53 3i72 s VAL 392 N -1.50 1.16 -0.35 0.00 1.01 0.17 -4.50 120.40 116.39 3i72 s VAL 392 Ca 0.55 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 3i72 s VAL 392 Cb -0.26 -1.37 0.12 0.00 0.00 0.00 0.00 36.38 34.87 3i72 s VAL 392 CO 0.33 0.07 0.18 -0.55 0.00 0.00 0.00 175.10 175.12 3i72 s SER 393 N 1.60 3.47 0.59 3.32 0.15 -1.26 0.27 113.70 121.84 3i72 s SER 393 Ca -0.01 -1.98 -0.17 0.00 0.70 0.00 0.00 55.95 54.50 3i72 s SER 393 Cb -0.16 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.49 3i72 s SER 393 CO -0.08 -0.35 1.11 -2.16 1.20 0.00 0.00 173.24 172.96 3i72 s PRO 394 N 1.25 3.17 0.20 5.44 0.04 -1.26 -4.28 135.00 139.56 3i72 s PRO 394 Ca 0.14 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 3i72 s PRO 394 Cb -0.21 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.44 3i72 s PRO 394 CO -0.13 -0.97 1.55 -1.35 0.04 0.00 0.00 177.00 176.14 3i72 h PRO 395 N 0.68 -0.01 -0.26 0.56 0.11 -1.94 -2.79 132.00 128.35 3i72 h PRO 395 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i72 h PRO 395 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i72 h PRO 395 CO 0.56 -0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3i72 n GLY 396 N -1.38 1.36 2.26 -0.55 0.00 -1.26 -4.88 105.19 100.74 3i72 n GLY 396 Ca 0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 3i72 n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i72 n GLY 397 N 1.43 0.36 0.14 -0.02 0.00 -1.05 -4.96 105.19 101.09 3i72 n GLY 397 Ca 0.18 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 3i72 n GLY 397 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3i72 h ASP 398 N 0.00 -0.20 0.00 1.61 1.82 -1.90 -3.48 116.42 114.27 3i72 h ASP 398 Ca -0.26 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3i72 h ASP 398 Cb 1.05 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.11 3i72 h ASP 398 CO 0.33 0.35 0.00 0.49 -1.61 0.00 0.00 179.24 178.80 3i72 n PHE 399 N -4.92 0.00 -0.55 0.28 3.01 -1.26 -4.79 117.46 109.23 3i72 n PHE 399 Ca -0.06 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.48 3i72 n PHE 399 Cb 0.21 -0.42 0.25 0.00 -0.01 0.00 0.00 39.48 39.50 3i72 n PHE 399 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3i72 n SER 400 N -0.11 3.75 -4.85 4.37 7.64 -1.26 -4.65 113.62 118.51 3i72 n SER 400 Ca 0.00 -2.43 -0.30 0.00 1.01 0.00 0.00 58.87 57.14 3i72 n SER 400 Cb 0.05 -0.43 0.06 0.00 -1.01 0.00 0.00 64.21 62.88 3i72 n SER 400 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3i72 s GLU 401 N -1.79 2.74 0.11 1.43 0.41 -1.26 -4.90 118.70 115.43 3i72 s GLU 401 Ca 0.37 0.64 -0.23 0.00 -0.41 0.00 0.00 54.97 55.35 3i72 s GLU 401 Cb 0.25 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.53 3i72 s GLU 401 CO 0.16 -1.16 1.70 -1.00 -0.49 0.00 0.00 175.26 174.47 3i72 h PRO 402 N -0.75 -0.13 -0.81 0.39 0.13 -1.99 -2.86 132.00 125.97 3i72 h PRO 402 Ca -0.45 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 3i72 h PRO 402 Cb 1.24 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 3i72 h PRO 402 CO 0.61 -0.09 0.53 -0.39 -0.23 0.00 0.00 178.00 178.43 3i72 h VAL 403 N -0.13 0.88 0.00 1.56 -1.51 -1.98 0.15 116.25 115.21 3i72 h VAL 403 Ca 0.05 -0.22 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3i72 h VAL 403 Cb 0.21 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.54 3i72 h VAL 403 CO -0.13 0.12 -0.00 1.62 -1.23 0.00 0.00 177.57 177.94 3i72 h VAL 404 N 0.65 1.68 -0.93 7.19 3.04 -1.90 -2.42 116.25 123.56 3i72 h VAL 404 Ca 0.39 -2.14 0.06 0.00 -1.01 0.00 0.00 66.70 64.00 3i72 h VAL 404 Cb 0.62 3.11 -0.06 0.00 -2.01 0.00 0.00 31.29 32.95 3i72 h VAL 404 CO -0.16 0.55 0.60 1.56 -1.01 0.00 0.00 177.57 179.11 3i72 h GLN 405 N -0.93 1.06 0.20 4.17 4.20 -1.24 0.11 115.11 122.68 3i72 h GLN 405 Ca -0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3i72 h GLN 405 Cb 0.90 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3i72 h GLN 405 CO 0.00 0.70 -0.10 -0.91 -0.67 0.00 0.00 178.83 177.85 3i72 h ASN 406 N 1.09 -0.24 -0.67 1.46 4.21 -0.81 -2.79 115.58 117.83 3i72 h ASN 406 Ca 0.39 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.91 3i72 h ASN 406 Cb 0.14 0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.37 3i72 h ASN 406 CO -0.14 -0.17 0.41 0.74 -1.29 0.00 0.00 177.43 176.98 3i72 h THR 407 N -0.27 1.19 0.00 2.81 2.02 -0.91 -2.72 112.91 115.02 3i72 h THR 407 Ca -0.02 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3i72 h THR 407 Cb 0.21 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3i72 h THR 407 CO 0.04 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.30 3i72 n LEU 408 N -4.58 0.20 0.16 2.58 4.77 0.34 -1.42 117.00 119.05 3i72 n LEU 408 Ca 0.05 0.54 0.06 0.00 -0.03 0.00 0.00 56.01 56.64 3i72 n LEU 408 Cb 0.05 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 3i72 n LEU 408 CO 0.36 -0.29 0.53 -0.09 -1.33 0.00 0.00 177.39 176.58 3i72 h ARG 409 N 0.00 0.00 0.00 3.23 2.43 -1.20 -3.37 114.38 115.47 3i72 h ARG 409 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 3i72 h ARG 409 Cb 0.33 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 3i72 h ARG 409 CO 0.00 0.30 -1.77 0.28 -1.51 0.00 0.00 179.97 177.27 3i72 n VAL 410 N -3.15 0.78 -2.53 0.20 0.31 -0.80 -5.01 118.33 108.13 3i72 n VAL 410 Ca 0.02 -0.45 -0.35 0.00 -0.01 0.00 0.00 64.34 63.55 3i72 n VAL 410 Cb 0.66 -0.75 -0.04 0.00 -0.91 0.00 0.00 33.84 32.81 3i72 n VAL 410 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3i72 s VAL 411 N -2.27 3.72 -0.70 2.52 -7.23 -0.51 -4.96 120.40 110.97 3i72 s VAL 411 Ca -0.08 1.21 0.22 0.00 -1.81 0.00 0.00 61.98 61.53 3i72 s VAL 411 Cb 0.04 -3.57 -0.19 0.00 0.56 0.00 0.00 36.38 33.21 3i72 s VAL 411 CO 0.44 -0.10 0.92 0.29 -0.31 0.00 0.00 175.10 176.34 3i72 n LYS 412 N -0.46 0.21 -4.03 4.82 4.01 -0.83 -4.90 118.16 116.99 3i72 n LYS 412 Ca 0.07 -0.03 -0.20 0.00 -0.51 0.00 0.00 58.31 57.64 3i72 n LYS 412 Cb 0.51 -1.54 -0.16 0.00 -0.51 0.00 0.00 35.03 33.33 3i72 n LYS 412 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3i72 s VAL 413 N -3.16 0.40 -0.16 -0.18 1.01 -0.73 -0.33 120.40 117.26 3i72 s VAL 413 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3i72 s VAL 413 Cb 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3i72 s VAL 413 CO 0.84 0.21 -0.14 0.12 0.00 0.00 0.00 175.10 176.12 3i72 s PHE 414 N 1.13 2.25 -0.50 5.22 5.36 -0.34 -0.30 117.98 130.80 3i72 s PHE 414 Ca -0.08 -1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 54.44 3i72 s PHE 414 Cb -0.14 -1.63 0.10 0.00 -0.34 0.00 0.00 43.02 41.01 3i72 s PHE 414 CO -0.01 -0.69 0.45 -1.58 -1.46 0.00 0.00 175.22 171.92 3i72 s TRP 415 N 1.46 3.24 -1.25 10.12 0.51 -0.73 -1.46 118.94 130.83 3i72 s TRP 415 Ca 0.04 -1.07 -0.16 0.00 -2.12 0.00 0.00 56.10 52.80 3i72 s TRP 415 Cb -0.13 -3.44 0.12 0.00 -0.81 0.00 0.00 33.47 29.21 3i72 s TRP 415 CO -0.11 -0.90 1.58 0.00 -0.51 0.00 0.00 176.95 177.02 3i72 s ALA 416 N 1.66 3.66 0.05 0.98 0.00 -1.26 -4.17 121.76 122.69 3i72 s ALA 416 Ca 0.04 -3.14 -0.35 0.00 0.00 0.00 0.00 51.96 48.51 3i72 s ALA 416 Cb -0.26 -4.38 -0.14 0.00 0.00 0.00 0.00 23.12 18.34 3i72 s ALA 416 CO 0.05 -3.03 1.65 1.28 0.00 0.00 0.00 175.76 175.71 3i72 n LEU 417 N 7.00 2.99 -3.85 0.00 4.32 -1.26 -0.98 117.00 125.23 3i72 n LEU 417 Ca 0.43 1.05 -0.28 0.00 -0.02 0.00 0.00 56.01 57.19 3i72 n LEU 417 Cb 0.44 -1.37 -0.16 0.00 -1.62 0.00 0.00 43.42 40.71 3i72 n LEU 417 CO 0.69 -0.32 -0.40 -0.62 -1.22 0.00 0.00 177.39 175.53 3i72 s ASP 418 N 1.95 3.09 0.48 -1.43 -1.08 -0.45 -4.87 116.67 114.35 3i72 s ASP 418 Ca 0.85 -0.83 0.21 0.00 -0.52 0.00 0.00 52.55 52.25 3i72 s ASP 418 Cb -0.74 -0.86 1.23 0.00 -1.46 0.00 0.00 42.92 41.10 3i72 s ASP 418 CO 0.45 -0.24 1.94 0.00 0.52 0.00 0.00 175.17 177.84 3i72 h ALA 419 N 8.12 2.35 -0.14 3.66 0.00 -1.92 -0.56 119.26 130.76 3i72 h ALA 419 Ca -0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3i72 h ALA 419 Cb 1.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3i72 h ALA 419 CO 0.38 -0.54 -0.51 0.22 0.00 0.00 0.00 179.25 178.80 3i72 h ASP 420 N 0.21 0.43 -0.40 0.00 3.58 -1.96 -1.04 116.42 117.23 3i72 h ASP 420 Ca 0.34 -0.22 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 3i72 h ASP 420 Cb 1.02 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 3i72 h ASP 420 CO -0.06 0.86 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.95 3i72 h LEU 421 N 0.31 0.81 -0.82 2.28 4.07 -1.44 -2.88 115.31 117.64 3i72 h LEU 421 Ca 0.01 -0.38 -0.05 0.00 0.08 0.00 0.00 57.88 57.54 3i72 h LEU 421 Cb 1.00 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.49 3i72 h LEU 421 CO 0.09 1.01 0.24 0.00 -1.08 0.00 0.00 178.44 178.70 3i72 h ALA 422 N 0.83 1.05 -0.69 1.53 0.00 -1.30 -0.90 119.26 119.78 3i72 h ALA 422 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i72 h ALA 422 Cb 0.67 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3i72 h ALA 422 CO 0.05 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.17 3i72 h ARG 423 N 1.08 1.05 0.00 0.00 3.08 -1.17 0.14 114.38 118.56 3i72 h ARG 423 Ca 0.24 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i72 h ARG 423 Cb 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i72 h ARG 423 CO -0.01 0.89 0.00 0.54 -1.07 0.00 0.00 179.97 180.32 3i72 n ARG 424 N -4.27 0.67 -2.87 0.04 1.74 -1.01 -4.92 116.66 106.03 3i72 n ARG 424 Ca 0.06 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 3i72 n ARG 424 Cb 0.21 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 3i72 n ARG 424 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i72 n ARG 425 N -1.14 -3.99 -3.03 5.56 1.74 0.03 -4.97 116.66 110.88 3i72 n ARG 425 Ca 0.18 0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 3i72 n ARG 425 Cb 0.16 -5.24 -0.06 0.00 -1.02 0.00 0.00 32.46 26.30 3i72 n ARG 425 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3i72 s HIS 426 N -3.06 2.97 0.01 -1.55 2.46 -0.44 -5.02 115.29 110.65 3i72 s HIS 426 Ca 0.25 -0.20 0.06 0.00 0.47 0.00 0.00 55.06 55.63 3i72 s HIS 426 Cb -0.11 -3.68 -0.02 0.00 -0.13 0.00 0.00 32.58 28.65 3i72 s HIS 426 CO 0.30 -1.09 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.24 3i72 s PHE 427 N 3.14 1.64 0.59 3.88 0.40 -1.26 -3.13 117.98 123.24 3i72 s PHE 427 Ca 0.23 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 56.03 3i72 s PHE 427 Cb -0.15 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 3i72 s PHE 427 CO 0.17 0.01 1.30 -1.25 0.70 0.00 0.00 175.22 176.15 3i72 s PRO 428 N -0.69 2.90 -0.17 0.24 0.04 -1.25 0.05 135.00 136.12 3i72 s PRO 428 Ca 0.07 2.08 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 3i72 s PRO 428 Cb -0.08 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3i72 s PRO 428 CO 0.00 -1.33 2.88 0.00 0.04 0.00 0.00 177.00 178.58 3i72 n ALA 429 N -1.46 5.80 -2.55 8.56 0.00 -1.18 -4.88 120.51 124.80 3i72 n ALA 429 Ca 0.13 -1.81 -0.41 0.00 0.00 0.00 0.00 53.44 51.35 3i72 n ALA 429 Cb 0.47 -1.90 -0.08 0.00 0.00 0.00 0.00 19.45 17.93 3i72 n ALA 429 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i72 s ILE 430 N -0.53 5.08 -0.13 0.00 1.01 -1.26 -1.34 121.20 124.03 3i72 s ILE 430 Ca 0.48 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 3i72 s ILE 430 Cb 0.27 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3i72 s ILE 430 CO -0.06 -0.18 1.78 0.21 0.00 0.00 0.00 174.94 176.69 3i72 s ASN 431 N 1.75 6.33 0.00 3.58 3.84 -0.15 -4.85 114.94 125.45 3i72 s ASN 431 Ca 0.15 2.02 0.28 0.00 0.21 0.00 0.00 52.86 55.52 3i72 s ASN 431 Cb -0.16 -2.53 1.23 0.00 -0.55 0.00 0.00 41.25 39.24 3i72 s ASN 431 CO 0.13 -1.24 1.90 -2.67 -2.79 0.00 0.00 177.10 172.43 3i72 n TRP 432 N 8.42 0.00 0.01 0.43 2.14 -1.26 -2.29 117.44 124.89 3i72 n TRP 432 Ca 0.20 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.83 3i72 n TRP 432 Cb 0.44 -0.45 -0.12 0.00 -0.81 0.00 0.00 31.31 30.37 3i72 n TRP 432 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3i72 n LEU 433 N -1.45 0.31 -0.00 5.67 4.32 -1.26 -4.59 117.00 120.00 3i72 n LEU 433 Ca 0.08 0.13 0.03 0.00 -0.02 0.00 0.00 56.01 56.23 3i72 n LEU 433 Cb 0.30 0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.13 3i72 n LEU 433 CO 0.25 0.06 -0.24 0.35 -1.22 0.00 0.00 177.39 176.58 3i72 n THR 434 N -2.52 0.00 -1.22 -5.08 -2.24 -1.21 -4.98 114.28 97.02 3i72 n THR 434 Ca -0.08 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 3i72 n THR 434 Cb 0.70 0.74 0.12 0.00 -2.10 0.00 0.00 70.33 69.79 3i72 n THR 434 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i72 s SER 435 N -2.02 3.83 -0.01 3.42 0.01 -0.97 -4.82 113.70 113.13 3i72 s SER 435 Ca 0.00 1.60 -0.29 0.00 1.31 0.00 0.00 55.95 58.57 3i72 s SER 435 Cb 0.04 -2.29 0.07 0.00 0.21 0.00 0.00 66.02 64.06 3i72 s SER 435 CO 0.25 -2.43 0.66 -0.72 0.41 0.00 0.00 173.24 171.41 3i72 s TYR 436 N -2.93 -0.63 -0.03 2.43 1.13 -0.54 -4.99 117.35 111.79 3i72 s TYR 436 Ca 0.63 0.98 0.02 0.00 -1.41 0.00 0.00 57.07 57.29 3i72 s TYR 436 Cb -0.18 0.43 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 3i72 s TYR 436 CO 0.57 -0.65 -0.08 0.45 -2.51 0.00 0.00 175.55 173.32 3i72 s SER 437 N -1.45 1.20 -0.03 -0.18 0.15 -1.26 -1.20 113.70 110.93 3i72 s SER 437 Ca -0.09 -0.19 0.14 0.00 0.70 0.00 0.00 55.95 56.51 3i72 s SER 437 Cb -0.00 -0.40 0.45 0.00 -1.71 0.00 0.00 66.02 64.36 3i72 s SER 437 CO 0.06 0.04 1.35 0.18 1.20 0.00 0.00 173.24 176.07 3i72 n LEU 438 N 3.49 2.94 -0.94 3.45 4.77 0.55 -4.12 117.00 127.14 3i72 n LEU 438 Ca -0.20 -1.48 0.10 0.00 -0.03 0.00 0.00 56.01 54.40 3i72 n LEU 438 Cb 0.53 -0.39 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 3i72 n LEU 438 CO 0.25 0.62 0.63 -1.22 -1.33 0.00 0.00 177.39 176.33 3i72 n TYR 439 N 0.82 0.30 -0.02 -1.77 4.01 -1.26 -4.66 117.16 114.57 3i72 n TYR 439 Ca 0.17 -0.17 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3i72 n TYR 439 Cb 0.51 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.50 3i72 n TYR 439 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3i72 h VAL 440 N 3.88 0.89 -0.20 -0.72 2.07 -1.87 -1.31 116.25 118.99 3i72 h VAL 440 Ca 0.00 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3i72 h VAL 440 Cb 0.87 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3i72 h VAL 440 CO 0.00 0.01 -0.08 0.44 0.02 0.00 0.00 177.57 177.96 3i72 h ASP 441 N 0.05 0.29 0.38 0.57 3.32 -1.93 -2.24 116.42 116.86 3i72 h ASP 441 Ca 0.07 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3i72 h ASP 441 Cb 0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3i72 h ASP 441 CO -0.12 0.41 -0.33 0.00 -1.72 0.00 0.00 179.24 177.48 3i72 h ALA 442 N 1.63 1.38 0.00 3.45 0.00 -1.55 -3.25 119.26 120.92 3i72 h ALA 442 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i72 h ALA 442 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i72 h ALA 442 CO 0.02 0.41 -0.72 1.33 0.00 0.00 0.00 179.25 180.29 3i72 n VAL 443 N -4.04 0.00 -0.35 0.00 0.24 -0.75 -4.18 118.33 109.24 3i72 n VAL 443 Ca -0.02 -0.23 0.07 0.00 -2.04 0.00 0.00 64.34 62.12 3i72 n VAL 443 Cb 0.38 0.88 0.23 0.00 -1.47 0.00 0.00 33.84 33.86 3i72 n VAL 443 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3i72 h LYS 444 N 0.00 0.93 -0.22 7.34 2.10 -1.44 -2.10 116.57 123.18 3i72 h LYS 444 Ca 0.00 -0.06 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 3i72 h LYS 444 Cb 0.32 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 3i72 h LYS 444 CO 0.00 0.62 -0.16 0.22 -2.00 0.00 0.00 179.45 178.13 3i72 h ASP 445 N 0.96 0.37 -0.10 7.07 1.82 -1.81 0.24 116.42 124.97 3i72 h ASP 445 Ca 0.49 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 57.03 3i72 h ASP 445 Cb 0.50 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 3i72 h ASP 445 CO -0.27 0.55 0.03 -0.25 -1.61 0.00 0.00 179.24 177.69 3i72 h TRP 446 N 0.35 0.16 -0.49 0.28 7.01 -1.64 -1.34 115.95 120.28 3i72 h TRP 446 Ca 0.06 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.08 3i72 h TRP 446 Cb 0.49 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 3i72 h TRP 446 CO 0.01 0.29 0.29 -1.49 -2.79 0.00 0.00 178.44 174.75 3i72 h TRP 447 N -0.02 0.53 -0.35 2.65 4.06 -1.08 -1.07 115.95 120.67 3i72 h TRP 447 Ca 0.03 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.93 3i72 h TRP 447 Cb 0.21 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 3i72 h TRP 447 CO -0.01 0.30 -0.09 0.45 -3.56 0.00 0.00 178.44 175.53 3i72 h HIS 448 N 0.57 0.63 0.00 0.49 3.86 -0.37 0.13 115.15 120.46 3i72 h HIS 448 Ca 0.20 -0.10 -0.27 0.00 -1.16 0.00 0.00 60.37 59.05 3i72 h HIS 448 Cb 0.03 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 3i72 h HIS 448 CO -0.07 0.67 -1.53 -0.22 0.86 0.00 0.00 177.93 177.63 3i72 h LYS 449 N 0.54 0.00 0.00 2.45 3.64 -1.18 -3.17 116.57 118.85 3i72 h LYS 449 Ca 0.10 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 3i72 h LYS 449 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3i72 h LYS 449 CO 0.03 0.59 -1.88 0.09 -2.27 0.00 0.00 179.45 176.01 3i72 n ASN 450 N -3.10 1.30 0.05 4.20 4.13 -0.41 -4.88 115.26 116.54 3i72 n ASN 450 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 3i72 n ASN 450 Cb 1.02 1.33 0.00 0.00 -1.54 0.00 0.00 39.78 40.59 3i72 n ASN 450 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3i72 n ILE 451 N -2.29 0.83 -3.65 2.41 2.08 0.06 -5.06 119.36 113.73 3i72 n ILE 451 Ca -0.13 0.27 -0.04 0.00 0.56 0.00 0.00 62.75 63.42 3i72 n ILE 451 Cb 0.69 -1.39 -0.06 0.00 -0.75 0.00 0.00 39.64 38.12 3i72 n ILE 451 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i72 s ASP 452 N -5.67 -0.91 0.64 4.38 -1.08 0.23 -5.01 116.67 109.26 3i72 s ASP 452 Ca 0.00 1.42 0.41 0.00 -0.52 0.00 0.00 52.55 53.86 3i72 s ASP 452 Cb 0.00 1.89 2.23 0.00 -1.46 0.00 0.00 42.92 45.58 3i72 s ASP 452 CO 0.00 -0.22 2.32 -0.65 0.52 0.00 0.00 175.17 177.14 3i72 h PRO 453 N 7.83 0.00 -0.70 4.34 0.11 -1.77 -2.33 132.00 139.48 3i72 h PRO 453 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3i72 h PRO 453 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3i72 h PRO 453 CO 0.12 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.31 3i72 n GLU 454 N -3.24 2.73 -0.27 1.05 -0.58 -1.26 -4.72 120.64 114.35 3i72 n GLU 454 Ca -0.03 -2.61 -0.03 0.00 -0.42 0.00 0.00 57.16 54.08 3i72 n GLU 454 Cb 0.09 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 3i72 n GLU 454 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 3i72 h TRP 455 N 4.15 -0.88 -0.24 -0.32 7.01 -1.75 -0.40 115.95 123.52 3i72 h TRP 455 Ca 0.00 0.08 -0.16 0.00 2.11 0.00 0.00 58.89 60.92 3i72 h TRP 455 Cb 0.97 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 28.53 3i72 h TRP 455 CO 0.46 -0.38 -0.50 -0.22 -2.79 0.00 0.00 178.44 175.01 3i72 h LYS 456 N -0.09 0.66 -0.56 2.65 1.63 -1.86 -1.59 116.57 117.42 3i72 h LYS 456 Ca 0.29 -0.39 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 3i72 h LYS 456 Cb 0.57 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 3i72 h LYS 456 CO -0.80 1.01 0.01 0.00 -3.45 0.00 0.00 179.45 176.22 3i72 h ALA 457 N 0.92 0.75 -0.14 5.00 0.00 -1.78 -2.41 119.26 121.61 3i72 h ALA 457 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3i72 h ALA 457 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i72 h ALA 457 CO 0.10 0.57 0.06 0.52 0.00 0.00 0.00 179.25 180.51 3i72 h MET 458 N 0.87 0.21 -0.43 0.00 2.86 -0.85 -1.60 114.93 115.98 3i72 h MET 458 Ca 0.16 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3i72 h MET 458 Cb 0.53 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3i72 h MET 458 CO 0.03 0.27 -0.06 0.07 1.06 0.00 0.00 176.91 178.28 3i72 h ARG 459 N 0.09 0.73 -0.58 1.72 -0.00 -1.26 -1.37 114.38 113.71 3i72 h ARG 459 Ca 0.05 -0.21 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 3i72 h ARG 459 Cb 0.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.97 30.00 3i72 h ARG 459 CO -0.01 0.78 0.37 -0.44 -0.00 0.00 0.00 179.97 180.67 3i72 h ASP 460 N 0.67 0.67 -0.27 0.08 3.32 -1.32 0.17 116.42 119.74 3i72 h ASP 460 Ca 0.12 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3i72 h ASP 460 Cb 0.50 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3i72 h ASP 460 CO 0.03 0.50 0.14 0.50 -1.72 0.00 0.00 179.24 178.69 3i72 h LYS 461 N 0.78 0.38 -0.74 3.56 3.64 -1.00 0.83 116.57 124.02 3i72 h LYS 461 Ca 0.21 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3i72 h LYS 461 Cb -0.07 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3i72 h LYS 461 CO -0.04 0.36 0.23 0.00 -2.27 0.00 0.00 179.45 177.73 3i72 h ALA 462 N 1.00 0.96 -0.43 5.00 0.00 -0.96 -1.40 119.26 123.44 3i72 h ALA 462 Ca 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3i72 h ALA 462 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3i72 h ALA 462 CO -0.01 0.64 0.12 1.98 0.00 0.00 0.00 179.25 181.98 3i72 h MET 463 N 1.09 0.69 -0.95 0.00 1.85 -0.41 -1.28 114.93 115.91 3i72 h MET 463 Ca 0.24 -0.16 0.06 0.00 -0.61 0.00 0.00 59.70 59.23 3i72 h MET 463 Cb 0.30 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.17 3i72 h MET 463 CO -0.01 0.69 0.61 0.00 -0.40 0.00 0.00 176.91 177.80 3i72 h ALA 464 N 0.97 1.31 -0.34 0.39 0.00 -0.57 0.21 119.26 121.24 3i72 h ALA 464 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3i72 h ALA 464 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i72 h ALA 464 CO -0.00 0.41 0.20 1.25 0.00 0.00 0.00 179.25 181.11 3i72 h LEU 465 N 1.13 0.33 -0.88 0.00 5.85 -1.01 -0.61 115.31 120.12 3i72 h LEU 465 Ca 0.41 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 3i72 h LEU 465 Cb 0.14 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3i72 h LEU 465 CO -0.16 0.24 0.37 -0.07 -0.34 0.00 0.00 178.44 178.48 3i72 h LEU 466 N 0.41 1.08 -0.54 2.25 3.38 -0.47 -0.67 115.31 120.76 3i72 h LEU 466 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i72 h LEU 466 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3i72 h LEU 466 CO -0.06 0.92 0.29 1.56 0.09 0.00 0.00 178.44 181.24 3i72 h GLN 467 N 1.17 0.75 -0.21 1.13 1.08 -0.34 -2.00 115.11 116.70 3i72 h GLN 467 Ca 0.28 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3i72 h GLN 467 Cb 0.14 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3i72 h GLN 467 CO -0.03 0.59 0.08 -0.22 -0.95 0.00 0.00 178.83 178.30 3i72 h LYS 468 N 0.72 0.31 -0.58 1.46 1.63 -0.85 -2.07 116.57 117.20 3i72 h LYS 468 Ca 0.19 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.03 3i72 h LYS 468 Cb 0.06 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.56 3i72 h LYS 468 CO -0.03 0.39 0.14 1.49 -3.45 0.00 0.00 179.45 177.99 3i72 h GLU 469 N 0.18 0.27 -0.83 1.90 4.81 -1.02 0.21 114.58 120.10 3i72 h GLU 469 Ca 0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3i72 h GLU 469 Cb 0.19 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3i72 h GLU 469 CO -0.00 0.18 0.55 1.03 -0.73 0.00 0.00 179.01 180.03 3i72 h SER 470 N 0.28 0.93 -0.46 1.04 0.87 -1.10 -0.36 113.55 114.76 3i72 h SER 470 Ca 0.30 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3i72 h SER 470 Cb 0.43 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3i72 h SER 470 CO -0.37 0.66 0.06 -0.33 -0.53 0.00 0.00 176.83 176.32 3i72 h GLU 471 N 1.10 0.78 -0.60 2.24 5.08 -0.54 -2.68 114.58 119.95 3i72 h GLU 471 Ca 0.32 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3i72 h GLU 471 Cb -0.08 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3i72 h GLU 471 CO -0.08 0.80 0.26 -0.07 -1.00 0.00 0.00 179.01 178.92 3i72 h LEU 472 N 0.64 0.82 -1.21 1.33 3.38 -0.61 -2.41 115.31 117.25 3i72 h LEU 472 Ca 0.14 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i72 h LEU 472 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3i72 h LEU 472 CO 0.01 0.74 0.13 1.56 0.09 0.00 0.00 178.44 180.98 3i72 h GLN 473 N 0.83 0.68 0.21 1.13 4.20 -1.03 -0.28 115.11 120.87 3i72 h GLN 473 Ca 0.20 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3i72 h GLN 473 Cb 0.17 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3i72 h GLN 473 CO -0.02 0.61 -0.10 1.49 -0.67 0.00 0.00 178.83 180.13 3i72 h GLU 474 N 0.67 -0.28 -0.93 1.46 4.22 -1.20 -0.43 114.58 118.09 3i72 h GLU 474 Ca 0.16 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.64 3i72 h GLU 474 Cb 0.22 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3i72 h GLU 474 CO -0.01 -0.09 0.61 0.82 -2.18 0.00 0.00 179.01 178.16 3i72 h ILE 475 N -0.41 1.18 0.00 2.32 2.04 -1.20 -1.12 117.51 120.31 3i72 h ILE 475 Ca -0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3i72 h ILE 475 Cb 0.31 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3i72 h ILE 475 CO 0.05 0.22 0.00 0.52 0.00 0.00 0.00 178.15 178.94 3i72 n VAL 476 N -4.48 0.62 -0.10 1.67 0.31 -0.14 -1.50 118.33 114.72 3i72 n VAL 476 Ca 0.12 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 3i72 n VAL 476 Cb 0.07 -0.75 -0.04 0.00 -0.91 0.00 0.00 33.84 32.22 3i72 n VAL 476 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i72 h ARG 477 N 0.00 0.64 0.37 5.55 2.43 0.25 -1.45 114.38 122.16 3i72 h ARG 477 Ca 0.00 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3i72 h ARG 477 Cb 0.60 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3i72 h ARG 477 CO 0.00 0.86 -0.18 0.82 -1.51 0.00 0.00 179.97 179.96 3i72 h ILE 478 N 0.40 0.31 -0.01 1.20 2.04 -1.24 -3.39 117.51 116.81 3i72 h ILE 478 Ca 0.07 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3i72 h ILE 478 Cb 0.66 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3i72 h ILE 478 CO 0.04 0.07 -0.41 1.33 0.00 0.00 0.00 178.15 179.18 3i72 n VAL 479 N -5.11 0.00 0.00 1.67 0.24 -0.56 -5.10 118.33 109.46 3i72 n VAL 479 Ca -0.08 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3i72 n VAL 479 Cb 0.25 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 3i72 n VAL 479 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i72 n GLY 480 N 1.28 -1.28 0.27 7.63 0.00 -0.55 -4.75 105.19 107.79 3i72 n GLY 480 Ca 0.08 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.63 3i72 n GLY 480 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i72 n PRO 481 N -1.32 0.73 0.21 1.61 -0.04 -1.26 -4.56 135.00 130.36 3i72 n PRO 481 Ca 0.00 -0.54 0.06 0.00 -0.04 0.00 0.00 63.50 62.98 3i72 n PRO 481 Cb 0.00 -1.49 0.45 0.00 -0.04 0.00 0.00 33.50 32.42 3i72 n PRO 481 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i72 h ASP 482 N 1.31 0.00 -0.17 3.54 3.32 -1.99 -2.67 116.42 119.76 3i72 h ASP 482 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i72 h ASP 482 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i72 h ASP 482 CO 0.00 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 3i72 n ALA 483 N -2.37 2.51 -1.89 3.45 0.00 -1.26 -4.94 120.51 116.02 3i72 n ALA 483 Ca -0.01 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 3i72 n ALA 483 Cb 0.39 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 3i72 n ALA 483 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i72 s LEU 484 N -1.62 4.37 0.68 0.00 1.02 -1.01 -4.99 118.68 117.14 3i72 s LEU 484 Ca 0.33 2.60 -0.15 0.00 0.02 0.00 0.00 54.13 56.94 3i72 s LEU 484 Cb 0.18 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.83 3i72 s LEU 484 CO 0.28 -0.88 1.13 -2.84 0.02 0.00 0.00 176.35 174.05 3i72 s PRO 485 N 1.95 2.61 0.25 1.29 0.02 -1.26 -4.84 135.00 135.02 3i72 s PRO 485 Ca 0.73 1.46 -0.05 0.00 0.02 0.00 0.00 61.00 63.17 3i72 s PRO 485 Cb -0.43 -1.92 0.49 0.00 0.02 0.00 0.00 34.50 32.66 3i72 s PRO 485 CO 0.32 -1.41 1.66 0.93 -0.33 0.00 0.00 177.00 178.17 3i72 h GLU 486 N -0.11 0.20 -0.67 5.54 4.39 -1.99 -1.13 114.58 120.81 3i72 h GLU 486 Ca -0.47 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.30 3i72 h GLU 486 Cb 1.26 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3i72 h GLU 486 CO 0.53 0.13 0.34 -0.09 -1.16 0.00 0.00 179.01 178.76 3i72 h ARG 487 N 0.21 0.58 -0.04 2.33 2.43 -1.96 0.06 114.38 117.99 3i72 h ARG 487 Ca 0.43 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.41 3i72 h ARG 487 Cb 0.77 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3i72 h ARG 487 CO -0.58 0.38 -0.68 0.93 -1.51 0.00 0.00 179.97 178.52 3i72 h GLU 488 N 0.60 0.19 -0.45 0.20 3.07 -1.61 -2.30 114.58 114.26 3i72 h GLU 488 Ca 0.32 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3i72 h GLU 488 Cb 0.31 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3i72 h GLU 488 CO -0.24 0.79 0.02 0.00 -1.40 0.00 0.00 179.01 178.18 3i72 h ARG 489 N 0.13 0.73 -0.54 2.33 3.08 -0.81 -2.16 114.38 117.13 3i72 h ARG 489 Ca -0.02 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 3i72 h ARG 489 Cb 1.21 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3i72 h ARG 489 CO 0.10 0.73 0.07 0.00 -1.07 0.00 0.00 179.97 179.80 3i72 h ALA 490 N 1.33 0.72 -0.81 0.04 0.00 -0.71 0.01 119.26 119.85 3i72 h ALA 490 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3i72 h ALA 490 Cb 0.40 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3i72 h ALA 490 CO 0.01 0.48 0.36 0.82 0.00 0.00 0.00 179.25 180.93 3i72 h ILE 491 N 0.80 1.26 -0.28 0.00 2.04 -1.22 -0.47 117.51 119.64 3i72 h ILE 491 Ca 0.16 -0.76 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 3i72 h ILE 491 Cb 0.44 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3i72 h ILE 491 CO 0.01 0.32 -0.34 -0.07 0.00 0.00 0.00 178.15 178.07 3i72 h LEU 492 N 1.17 0.63 0.16 1.44 3.38 -1.11 -0.99 115.31 119.99 3i72 h LEU 492 Ca 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i72 h LEU 492 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i72 h LEU 492 CO -0.03 0.92 -0.08 0.25 0.09 0.00 0.00 178.44 179.60 3i72 h LEU 493 N 0.51 -0.18 -1.18 1.67 7.12 -0.52 -1.60 115.31 121.14 3i72 h LEU 493 Ca 0.06 -0.20 -0.08 0.00 0.13 0.00 0.00 57.88 57.79 3i72 h LEU 493 Cb 0.83 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 3i72 h LEU 493 CO 0.07 0.10 -0.31 0.58 -0.13 0.00 0.00 178.44 178.75 3i72 h VAL 494 N -0.47 1.26 -0.31 1.05 2.07 -1.09 -1.65 116.25 117.10 3i72 h VAL 494 Ca -0.02 -1.22 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 3i72 h VAL 494 Cb 0.37 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3i72 h VAL 494 CO 0.04 0.36 -0.49 0.00 0.02 0.00 0.00 177.57 177.50 3i72 h ALA 495 N 1.53 0.54 -0.71 1.67 0.00 -1.13 -0.45 119.26 120.72 3i72 h ALA 495 Ca 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3i72 h ALA 495 Cb 0.63 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3i72 h ALA 495 CO 0.05 0.68 0.47 -0.09 0.00 0.00 0.00 179.25 180.35 3i72 h ARG 496 N 0.68 0.93 -0.76 0.00 2.43 -0.99 0.16 114.38 116.82 3i72 h ARG 496 Ca 0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3i72 h ARG 496 Cb 1.08 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3i72 h ARG 496 CO 0.11 0.61 0.32 0.52 -1.51 0.00 0.00 179.97 180.02 3i72 h MET 497 N 0.96 1.12 -0.09 0.20 2.86 -1.05 -0.51 114.93 118.42 3i72 h MET 497 Ca 0.26 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3i72 h MET 497 Cb -0.11 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 3i72 h MET 497 CO -0.06 0.90 -0.02 -0.07 1.06 0.00 0.00 176.91 178.72 3i72 h LEU 498 N 1.10 -0.08 -0.07 1.22 3.38 -0.43 0.29 115.31 120.72 3i72 h LEU 498 Ca 0.26 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3i72 h LEU 498 Cb 0.18 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3i72 h LEU 498 CO -0.02 -0.03 -0.08 0.03 0.09 0.00 0.00 178.44 178.42 3i72 h ARG 499 N 0.00 -0.11 0.08 1.13 3.08 -0.72 -1.59 114.38 116.25 3i72 h ARG 499 Ca 0.04 0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 3i72 h ARG 499 Cb 0.07 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.16 3i72 h ARG 499 CO -0.09 -0.07 -1.16 0.93 -1.07 0.00 0.00 179.97 178.51 3i72 h GLU 500 N -0.11 0.54 0.00 0.04 5.08 -1.00 -0.93 114.58 118.19 3i72 h GLU 500 Ca 0.06 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3i72 h GLU 500 Cb 0.19 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3i72 h GLU 500 CO -0.13 1.29 -1.30 -0.25 -1.00 0.00 0.00 179.01 177.62 3i72 n ASP 501 N -3.75 0.58 0.07 1.42 8.00 0.10 -4.45 116.55 118.52 3i72 n ASP 501 Ca -0.11 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3i72 n ASP 501 Cb 0.95 1.23 0.00 0.00 -0.02 0.00 0.00 41.12 43.27 3i72 n ASP 501 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i72 n TYR 502 N -1.87 -0.72 0.07 1.24 9.36 -0.68 -4.70 117.16 119.87 3i72 n TYR 502 Ca 0.01 0.13 -0.13 0.00 3.32 0.00 0.00 57.90 61.23 3i72 n TYR 502 Cb 0.43 0.17 -0.08 0.00 -0.63 0.00 0.00 39.34 39.24 3i72 n TYR 502 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3i72 h LEU 503 N 0.00 -0.09 -9.76 2.98 4.07 -1.22 -3.42 115.31 107.87 3i72 h LEU 503 Ca 0.00 -0.05 -0.53 0.00 0.08 0.00 0.00 57.88 57.38 3i72 h LEU 503 Cb 0.04 0.02 0.06 0.00 1.08 0.00 0.00 40.66 41.86 3i72 h LEU 503 CO 0.00 -0.00 0.77 -1.10 -1.08 0.00 0.00 178.44 177.02 3i72 s GLN 504 N -5.93 4.25 -0.06 1.13 -0.21 -0.37 -4.40 119.66 114.08 3i72 s GLN 504 Ca -0.14 2.33 -0.07 0.00 0.02 0.00 0.00 55.36 57.50 3i72 s GLN 504 Cb 0.05 -3.10 0.02 0.00 1.00 0.00 0.00 33.01 30.98 3i72 s GLN 504 CO 0.65 -0.44 0.19 -1.14 -2.12 0.00 0.00 175.29 172.44 3i72 s GLN 505 N -0.46 0.27 -0.52 2.91 0.74 0.11 -4.77 119.66 117.94 3i72 s GLN 505 Ca 0.59 0.19 -0.14 0.00 0.05 0.00 0.00 55.36 56.05 3i72 s GLN 505 Cb -0.42 0.13 0.12 0.00 1.10 0.00 0.00 33.01 33.93 3i72 s GLN 505 CO 0.44 -0.04 0.45 0.34 -0.55 0.00 0.00 175.29 175.93 3i72 s ASP 506 N -0.09 6.05 0.58 6.67 -1.08 -1.26 -3.96 116.67 123.57 3i72 s ASP 506 Ca -0.02 -1.79 0.35 0.00 -0.52 0.00 0.00 52.55 50.57 3i72 s ASP 506 Cb -0.02 -2.15 1.69 0.00 -1.46 0.00 0.00 42.92 40.98 3i72 s ASP 506 CO 0.00 -0.80 2.12 0.00 0.52 0.00 0.00 175.17 177.01 3i72 h ALA 507 N 8.76 1.06 -0.11 3.66 0.00 -1.90 -2.47 119.26 128.26 3i72 h ALA 507 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i72 h ALA 507 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i72 h ALA 507 CO 0.98 0.04 0.00 1.19 0.00 0.00 0.00 179.25 181.46 3i72 n PHE 508 N -3.22 0.13 -3.80 0.00 3.72 -1.26 -4.62 117.46 108.41 3i72 n PHE 508 Ca -0.01 -0.06 -0.37 0.00 -0.05 0.00 0.00 57.45 56.95 3i72 n PHE 508 Cb 0.23 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 3i72 n PHE 508 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3i72 s ASP 509 N -1.77 6.47 0.52 4.37 2.15 -0.94 -4.98 116.67 122.48 3i72 s ASP 509 Ca 0.35 0.57 0.25 0.00 0.43 0.00 0.00 52.55 54.15 3i72 s ASP 509 Cb 0.19 -2.11 1.41 0.00 -0.30 0.00 0.00 42.92 42.12 3i72 s ASP 509 CO 0.30 0.39 2.08 1.05 -0.17 0.00 0.00 175.17 178.82 3i72 h GLU 510 N 4.94 0.00 0.00 4.34 4.11 -1.91 -2.47 114.58 123.60 3i72 h GLU 510 Ca -0.54 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.72 3i72 h GLU 510 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3i72 h GLU 510 CO 0.59 0.12 -1.26 0.28 0.07 0.00 0.00 179.01 178.81 3i72 n VAL 511 N -3.78 1.49 1.73 -1.06 0.31 -1.26 -4.58 118.33 111.18 3i72 n VAL 511 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.38 3i72 n VAL 511 Cb 0.22 -2.17 0.42 0.00 -0.91 0.00 0.00 33.84 31.40 3i72 n VAL 511 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i72 n ASP 512 N -4.45 0.00 0.19 4.52 2.03 -1.20 -3.11 116.55 114.53 3i72 n ASP 512 Ca -0.26 -1.29 0.05 0.00 0.52 0.00 0.00 54.79 53.81 3i72 n ASP 512 Cb 0.57 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.30 3i72 n ASP 512 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i72 h THR 513 N 0.00 0.91 -3.70 5.18 1.03 -1.33 -3.36 112.91 111.64 3i72 h THR 513 Ca 0.00 -1.53 -0.38 0.00 -0.01 0.00 0.00 66.41 64.49 3i72 h THR 513 Cb 0.00 1.93 -0.31 0.00 -1.07 0.00 0.00 68.15 68.69 3i72 h THR 513 CO 0.00 0.37 -0.77 -0.47 -0.01 0.00 0.00 175.52 174.65 3i72 s TYR 514 N -3.62 0.68 -0.30 0.00 5.04 -1.18 -4.88 117.35 113.08 3i72 s TYR 514 Ca -0.00 -0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.50 3i72 s TYR 514 Cb 0.11 -0.53 0.08 0.00 0.35 0.00 0.00 41.96 41.97 3i72 s TYR 514 CO 0.69 -0.10 -0.00 0.00 -1.34 0.00 0.00 175.55 174.79 3i72 s PRO 516 N 1.10 2.84 0.29 0.00 0.02 -1.26 -4.46 135.00 133.53 3i72 s PRO 516 Ca 0.03 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3i72 s PRO 516 Cb -0.19 -2.03 0.66 0.00 0.02 0.00 0.00 34.50 32.96 3i72 s PRO 516 CO -0.09 -1.39 1.58 -1.35 -0.33 0.00 0.00 177.00 175.42 3i72 h PRO 517 N 0.97 0.02 -0.71 5.54 0.11 -1.99 0.12 132.00 136.06 3i72 h PRO 517 Ca -0.51 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3i72 h PRO 517 Cb 1.32 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 3i72 h PRO 517 CO 0.55 0.01 0.46 1.49 -0.21 0.00 0.00 178.00 180.31 3i72 h GLU 518 N 0.02 0.80 0.04 1.05 4.81 -1.95 -1.90 114.58 117.45 3i72 h GLU 518 Ca 0.55 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.50 3i72 h GLU 518 Cb 1.07 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 3i72 h GLU 518 CO -0.91 0.53 -1.01 -0.22 -0.73 0.00 0.00 179.01 176.66 3i72 h LYS 519 N 0.82 0.32 0.16 1.92 3.64 -1.17 -3.07 116.57 119.19 3i72 h LYS 519 Ca 0.29 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3i72 h LYS 519 Cb 0.11 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3i72 h LYS 519 CO -0.09 1.10 -0.08 1.96 -2.27 0.00 0.00 179.45 180.08 3i72 h GLN 520 N 0.15 -0.21 -0.24 1.90 4.20 -0.40 -1.26 115.11 119.26 3i72 h GLN 520 Ca -0.09 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3i72 h GLN 520 Cb 1.68 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 3i72 h GLN 520 CO 0.17 -0.05 -0.11 -0.39 -0.67 0.00 0.00 178.83 177.78 3i72 h VAL 521 N -0.32 1.20 -0.12 -0.54 -1.51 -1.54 -1.44 116.25 111.98 3i72 h VAL 521 Ca -0.02 -0.89 -0.08 0.00 -1.23 0.00 0.00 66.70 64.48 3i72 h VAL 521 Cb 0.25 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 3i72 h VAL 521 CO 0.04 0.29 -0.25 0.74 -1.23 0.00 0.00 177.57 177.15 3i72 h THR 522 N 0.36 1.38 -0.84 7.19 2.02 -1.41 -0.43 112.91 121.19 3i72 h THR 522 Ca 0.07 -1.53 0.09 0.00 0.77 0.00 0.00 66.41 65.82 3i72 h THR 522 Cb 0.42 2.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 3i72 h THR 522 CO 0.02 0.45 0.49 0.24 0.37 0.00 0.00 175.52 177.09 3i72 h MET 523 N -0.03 0.79 -0.50 6.66 2.07 -1.16 -1.31 114.93 121.44 3i72 h MET 523 Ca 0.00 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 3i72 h MET 523 Cb 0.84 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 30.37 3i72 h MET 523 CO 0.06 0.52 0.22 1.98 1.07 0.00 0.00 176.91 180.76 3i72 h MET 524 N 0.82 0.74 -0.76 1.72 -1.53 -0.97 -1.90 114.93 113.04 3i72 h MET 524 Ca 0.40 -0.12 -0.00 0.00 -3.44 0.00 0.00 59.70 56.54 3i72 h MET 524 Cb 0.36 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.25 3i72 h MET 524 CO -0.24 0.63 0.46 0.00 0.14 0.00 0.00 176.91 177.89 3i72 h ARG 525 N 0.67 1.03 -0.52 0.39 3.08 -0.68 -0.33 114.38 118.02 3i72 h ARG 525 Ca 0.17 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.18 3i72 h ARG 525 Cb 0.15 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3i72 h ARG 525 CO -0.02 0.73 0.25 0.28 -1.07 0.00 0.00 179.97 180.14 3i72 h VAL 526 N 1.03 0.93 -0.38 2.04 2.07 -1.09 0.13 116.25 120.98 3i72 h VAL 526 Ca 0.27 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 3i72 h VAL 526 Cb -0.04 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3i72 h VAL 526 CO -0.05 0.09 -0.20 -0.07 0.02 0.00 0.00 177.57 177.35 3i72 h LEU 527 N 0.48 0.84 -0.19 2.57 3.38 -0.67 -1.89 115.31 119.83 3i72 h LEU 527 Ca 0.23 -0.41 -0.22 0.00 0.09 0.00 0.00 57.88 57.57 3i72 h LEU 527 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3i72 h LEU 527 CO -0.18 1.07 -0.95 -0.07 0.09 0.00 0.00 178.44 178.40 3i72 h LEU 528 N 0.61 0.35 -1.10 1.67 3.38 -0.92 -1.30 115.31 118.00 3i72 h LEU 528 Ca 0.08 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3i72 h LEU 528 Cb 0.76 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3i72 h LEU 528 CO 0.06 1.12 0.23 -1.13 0.09 0.00 0.00 178.44 178.81 3i72 h ASN 529 N 0.14 0.80 -0.46 -0.43 -1.24 -0.79 -0.59 115.58 113.01 3i72 h ASN 529 Ca -0.07 -0.11 -0.08 0.00 0.71 0.00 0.00 56.30 56.76 3i72 h ASN 529 Cb 1.60 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.42 3i72 h ASN 529 CO 0.15 0.72 -0.01 0.15 -1.29 0.00 0.00 177.43 177.15 3i72 h PHE 530 N 0.86 0.94 0.70 0.67 3.57 -0.88 -1.91 116.94 120.89 3i72 h PHE 530 Ca 0.20 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3i72 h PHE 530 Cb 0.17 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.67 3i72 h PHE 530 CO 0.01 0.86 -0.34 -0.92 -2.23 0.00 0.00 178.31 175.70 3i72 h TYR 531 N 0.81 -0.87 -0.61 0.41 3.20 -0.89 0.13 116.97 119.16 3i72 h TYR 531 Ca 0.15 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.12 3i72 h TYR 531 Cb 0.50 0.29 -0.12 0.00 1.54 0.00 0.00 36.73 38.94 3i72 h TYR 531 CO 0.03 -0.53 -0.23 -0.44 -1.64 0.00 0.00 178.16 175.35 3i72 h ASP 532 N -0.99 -0.82 -0.51 -2.11 3.32 -1.07 -1.00 116.42 113.24 3i72 h ASP 532 Ca -0.10 0.21 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3i72 h ASP 532 Cb 0.73 0.47 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3i72 h ASP 532 CO 0.16 -0.25 -0.04 0.11 -1.72 0.00 0.00 179.24 177.49 3i72 h LYS 533 N -0.07 0.96 -0.36 3.56 1.79 -1.20 -0.86 116.57 120.37 3i72 h LYS 533 Ca 0.28 -0.31 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3i72 h LYS 533 Cb 0.51 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 3i72 h LYS 533 CO -0.66 0.97 0.20 1.15 -1.08 0.00 0.00 179.45 180.02 3i72 h THR 534 N 0.87 1.01 -0.12 -0.16 2.02 0.13 -1.01 112.91 115.66 3i72 h THR 534 Ca 0.15 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 3i72 h THR 534 Cb 0.57 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3i72 h THR 534 CO 0.03 0.07 -0.57 0.24 0.37 0.00 0.00 175.52 175.66 3i72 h MET 535 N 0.40 0.37 -0.48 6.66 2.86 -0.88 -1.25 114.93 122.63 3i72 h MET 535 Ca 0.15 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3i72 h MET 535 Cb 0.03 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3i72 h MET 535 CO -0.09 0.84 0.09 1.49 1.06 0.00 0.00 176.91 180.31 3i72 h GLU 536 N 0.28 0.78 -0.15 1.72 4.81 -1.08 -1.55 114.58 119.38 3i72 h GLU 536 Ca 0.00 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 3i72 h GLU 536 Cb 1.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3i72 h GLU 536 CO 0.10 0.78 -0.00 0.00 -0.73 0.00 0.00 179.01 179.15 3i72 h ALA 537 N 0.97 0.21 -0.35 2.92 0.00 -0.91 -1.89 119.26 120.21 3i72 h ALA 537 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i72 h ALA 537 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3i72 h ALA 537 CO 0.01 -0.09 0.15 0.82 0.00 0.00 0.00 179.25 180.14 3i72 h ILE 538 N 0.02 1.14 0.00 0.00 2.04 -1.26 -0.45 117.51 119.00 3i72 h ILE 538 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i72 h ILE 538 Cb 0.38 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3i72 h ILE 538 CO 0.01 0.16 0.00 -1.13 0.00 0.00 0.00 178.15 177.19 3i72 h ASN 539 N 0.49 0.00 -0.41 1.72 -0.73 -0.52 -1.84 115.58 114.29 3i72 h ASN 539 Ca 0.12 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 3i72 h ASN 539 Cb 0.09 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 3i72 h ASN 539 CO -0.01 0.00 0.02 0.54 -0.37 0.00 0.00 177.43 177.61 3i72 n ARG 540 N -2.95 3.60 -1.07 6.67 1.74 -0.29 -4.96 116.66 119.40 3i72 n ARG 540 Ca 0.00 -2.99 -0.02 0.00 -0.77 0.00 0.00 57.85 54.07 3i72 n ARG 540 Cb 0.27 -2.02 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 3i72 n ARG 540 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i72 n GLY 541 N -0.14 0.57 3.68 -0.13 0.00 -0.69 -4.94 105.19 103.54 3i72 n GLY 541 Ca 0.26 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 3i72 n GLY 541 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i72 s VAL 542 N -2.05 4.36 0.44 1.61 1.01 -0.53 -4.99 120.40 120.24 3i72 s VAL 542 Ca 0.00 1.67 -0.26 0.00 0.00 0.00 0.00 61.98 63.39 3i72 s VAL 542 Cb 0.00 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3i72 s VAL 542 CO 0.00 -0.05 1.39 -0.81 0.00 0.00 0.00 175.10 175.63 3i72 n PRO 543 N 5.59 2.19 0.00 2.72 -0.04 -1.26 -4.32 135.00 139.88 3i72 n PRO 543 Ca 0.11 0.78 0.03 0.00 -0.04 0.00 0.00 63.50 64.38 3i72 n PRO 543 Cb 0.46 -2.56 0.39 0.00 -0.04 0.00 0.00 33.50 31.75 3i72 n PRO 543 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3i72 h LEU 544 N 2.28 0.47 -1.67 1.53 5.85 -1.94 -2.47 115.31 119.36 3i72 h LEU 544 Ca -0.50 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.27 3i72 h LEU 544 Cb 1.27 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3i72 h LEU 544 CO 0.61 0.40 0.36 -0.33 -0.34 0.00 0.00 178.44 179.14 3i72 h GLU 545 N 0.53 0.38 -0.03 1.25 3.07 -1.99 0.14 114.58 117.94 3i72 h GLU 545 Ca 0.14 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.77 3i72 h GLU 545 Cb 0.05 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3i72 h GLU 545 CO -0.02 0.25 -0.86 1.49 -1.40 0.00 0.00 179.01 178.48 3i72 h GLU 546 N 0.39 0.38 -0.05 2.33 4.57 -1.82 -3.22 114.58 117.16 3i72 h GLU 546 Ca 0.24 -0.37 -0.21 0.00 -1.18 0.00 0.00 59.36 57.84 3i72 h GLU 546 Cb 0.43 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3i72 h GLU 546 CO -0.06 1.04 -0.83 0.82 -1.18 0.00 0.00 179.01 178.79 3i72 h ILE 547 N 0.23 1.37 0.00 2.32 2.04 -0.94 -2.92 117.51 119.61 3i72 h ILE 547 Ca -0.06 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.56 3i72 h ILE 547 Cb 1.47 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 3i72 h ILE 547 CO 0.15 0.68 0.00 0.00 0.00 0.00 0.00 178.15 178.97 3i72 h ALA 548 N 0.78 1.00 0.00 1.87 0.00 -0.83 -2.63 119.26 119.45 3i72 h ALA 548 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i72 h ALA 548 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3i72 h ALA 548 CO 0.15 0.00 -0.00 0.36 0.00 0.00 0.00 179.25 179.76 3i72 n LYS 549 N -3.02 2.72 -1.65 0.00 2.85 -1.19 -4.99 118.16 112.87 3i72 n LYS 549 Ca -0.03 -1.50 -0.47 0.00 -1.05 0.00 0.00 58.31 55.27 3i72 n LYS 549 Cb 0.08 -1.00 -0.04 0.00 -0.65 0.00 0.00 35.03 33.42 3i72 n LYS 549 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3i72 n LEU 550 N -0.52 2.81 0.23 -5.58 7.94 -0.99 -4.87 117.00 116.02 3i72 n LEU 550 Ca 0.01 1.09 0.07 0.00 -1.11 0.00 0.00 56.01 56.07 3i72 n LEU 550 Cb 0.29 -1.38 0.55 0.00 0.53 0.00 0.00 43.42 43.41 3i72 n LEU 550 CO 0.00 -0.45 0.91 -0.65 -1.11 0.00 0.00 177.39 176.10 3i72 h PRO 551 N 5.56 0.00 -0.23 1.96 0.11 -1.92 -2.54 132.00 134.95 3i72 h PRO 551 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3i72 h PRO 551 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3i72 h PRO 551 CO 0.86 0.17 0.09 -0.24 -0.21 0.00 0.00 178.00 178.67 3i72 h VAL 552 N 0.00 1.09 -1.04 3.15 3.04 -1.94 -2.47 116.25 118.09 3i72 h VAL 552 Ca -0.00 -0.30 0.28 0.00 -1.01 0.00 0.00 66.70 65.67 3i72 h VAL 552 Cb 0.33 0.83 -0.12 0.00 -2.01 0.00 0.00 31.29 30.32 3i72 h VAL 552 CO 0.02 0.11 0.63 0.03 -1.01 0.00 0.00 177.57 177.35 3i72 h ARG 553 N 0.31 0.43 -0.04 4.17 3.08 -1.82 0.18 114.38 120.70 3i72 h ARG 553 Ca 0.08 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3i72 h ARG 553 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3i72 h ARG 553 CO -0.01 0.29 -0.67 1.05 -1.07 0.00 0.00 179.97 179.56 3i72 h GLU 554 N 0.45 0.18 -0.22 0.04 -0.00 -1.62 -1.27 114.58 112.13 3i72 h GLU 554 Ca 0.66 -0.14 -0.16 0.00 -0.00 0.00 0.00 59.36 59.72 3i72 h GLU 554 Cb 1.48 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.26 3i72 h GLU 554 CO -0.45 0.78 -0.49 0.93 -0.00 0.00 0.00 179.01 179.78 3i72 h GLU 555 N 0.13 0.73 -0.87 1.06 5.08 -0.88 -2.78 114.58 117.05 3i72 h GLU 555 Ca -0.01 -0.49 0.05 0.00 -1.00 0.00 0.00 59.36 57.91 3i72 h GLU 555 Cb 1.20 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3i72 h GLU 555 CO 0.10 1.11 0.57 0.82 -1.00 0.00 0.00 179.01 180.61 3i72 h ILE 556 N 0.45 1.09 0.00 3.13 2.04 -0.66 -1.05 117.51 122.51 3i72 h ILE 556 Ca 0.00 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3i72 h ILE 556 Cb 1.10 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3i72 h ILE 556 CO 0.11 0.18 -0.15 1.23 0.00 0.00 0.00 178.15 179.52 3i72 h GLY 557 N 1.01 0.00 -0.27 5.37 0.00 -1.08 -3.15 103.07 104.95 3i72 h GLY 557 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3i72 h GLY 557 CO -0.13 0.00 -0.70 0.54 0.00 0.00 0.00 176.54 176.25 3i72 n ARG 558 N -3.73 0.52 0.26 4.80 1.74 -0.48 -4.58 116.66 115.19 3i72 n ARG 558 Ca -0.02 -0.41 0.08 0.00 -0.77 0.00 0.00 57.85 56.73 3i72 n ARG 558 Cb 0.26 -1.49 0.64 0.00 -1.02 0.00 0.00 32.46 30.85 3i72 n ARG 558 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i72 h MET 559 N 1.01 0.00 -0.09 5.56 -0.00 -1.28 0.13 114.93 120.26 3i72 h MET 559 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 3i72 h MET 559 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 3i72 h MET 559 CO 0.00 0.02 0.23 1.57 -0.00 0.00 0.00 176.91 178.74 3i72 h LYS 560 N 0.00 0.00 -0.00 -0.10 2.10 -1.81 -1.58 116.57 115.18 3i72 h LYS 560 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i72 h LYS 560 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3i72 h LYS 560 CO 0.00 0.00 -0.54 1.19 -2.00 0.00 0.00 179.45 178.10 3i72 n PHE 561 N -3.26 0.00 -2.87 0.07 3.72 0.45 -4.15 117.46 111.43 3i72 n PHE 561 Ca -0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3i72 n PHE 561 Cb 0.32 -0.17 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 3i72 n PHE 561 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3i72 s GLU 562 N -2.88 4.42 0.05 -1.08 2.56 -0.60 -4.87 118.70 116.31 3i72 s GLU 562 Ca 0.13 1.12 0.11 0.00 0.00 0.00 0.00 54.97 56.34 3i72 s GLU 562 Cb 0.18 -3.50 -0.19 0.00 2.00 0.00 0.00 34.13 32.61 3i72 s GLU 562 CO 0.69 -0.13 0.97 0.07 -0.56 0.00 0.00 175.26 176.29 3i72 h ARG 563 N 6.99 0.00 -6.50 4.30 0.11 -1.90 -3.44 114.38 113.95 3i72 h ARG 563 Ca -0.36 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.17 3i72 h ARG 563 Cb 1.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.19 3i72 h ARG 563 CO 0.79 0.67 1.03 0.34 0.10 0.00 0.00 179.97 182.90 3i72 s ASP 564 N -6.32 6.31 0.44 0.08 -1.08 -1.26 -4.89 116.67 109.94 3i72 s ASP 564 Ca -0.02 0.09 0.10 0.00 -0.52 0.00 0.00 52.55 52.21 3i72 s ASP 564 Cb 0.09 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.97 3i72 s ASP 564 CO 0.82 -1.60 2.06 0.58 0.52 0.00 0.00 175.17 177.54 3i72 h VAL 565 N 6.21 1.09 -0.06 1.11 2.07 -1.99 -1.47 116.25 123.21 3i72 h VAL 565 Ca -0.26 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3i72 h VAL 565 Cb 1.07 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3i72 h VAL 565 CO 1.20 0.10 -0.11 0.77 0.02 0.00 0.00 177.57 179.55 3i72 h SER 566 N 0.32 0.08 0.02 0.57 4.64 -1.99 0.36 113.55 117.56 3i72 h SER 566 Ca 0.08 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 3i72 h SER 566 Cb 0.04 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3i72 h SER 566 CO -0.01 0.20 -0.44 0.11 -0.87 0.00 0.00 176.83 175.82 3i72 h LYS 567 N 0.09 0.51 -0.17 4.77 1.57 -1.68 -2.26 116.57 119.39 3i72 h LYS 567 Ca 0.02 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 3i72 h LYS 567 Cb 0.25 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3i72 h LYS 567 CO 0.02 0.85 -0.17 0.82 -0.57 0.00 0.00 179.45 180.40 3i72 h ILE 568 N 0.41 1.34 -0.26 1.86 2.04 -1.25 -3.06 117.51 118.59 3i72 h ILE 568 Ca 0.03 -1.32 0.07 0.00 1.00 0.00 0.00 64.86 64.64 3i72 h ILE 568 Cb 0.94 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3i72 h ILE 568 CO 0.08 0.40 0.20 -0.09 0.00 0.00 0.00 178.15 178.74 3i72 h ARG 569 N 0.07 0.00 0.00 2.37 2.43 -0.81 -1.68 114.38 116.77 3i72 h ARG 569 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i72 h ARG 569 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3i72 h ARG 569 CO 0.04 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.16 3i72 h SER 570 N 0.00 0.00 -0.00 -3.80 4.64 -1.30 -2.73 113.55 110.36 3i72 h SER 570 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3i72 h SER 570 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3i72 h SER 570 CO -0.00 0.00 0.06 -0.07 -0.87 0.00 0.00 176.83 175.95 3i72 h LEU 571 N 0.00 0.00 0.22 5.97 3.38 -1.34 -2.43 115.31 121.11 3i72 h LEU 571 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3i72 h LEU 571 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3i72 h LEU 571 CO 0.00 0.00 -0.11 0.40 0.09 0.00 0.00 178.44 178.82 3i72 h ILE 572 N 0.00 0.84 -0.67 1.22 2.04 -1.66 0.50 117.51 119.79 3i72 h ILE 572 Ca 0.00 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3i72 h ILE 572 Cb 0.13 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3i72 h ILE 572 CO -0.00 0.09 0.28 0.44 0.00 0.00 0.00 178.15 178.96 3i72 h ASP 573 N -0.50 0.91 -0.71 1.72 3.32 -1.69 -0.93 116.42 118.54 3i72 h ASP 573 Ca -0.03 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 3i72 h ASP 573 Cb 0.37 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3i72 h ASP 573 CO 0.05 0.82 0.30 0.50 -1.72 0.00 0.00 179.24 179.18 3i72 h LYS 574 N 0.94 1.06 -0.06 3.56 3.64 -1.40 0.42 116.57 124.73 3i72 h LYS 574 Ca 0.23 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i72 h LYS 574 Cb 0.18 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i72 h LYS 574 CO -0.02 0.87 0.04 1.15 -2.27 0.00 0.00 179.45 179.21 3i72 h THR 575 N 1.02 1.06 -0.44 1.00 2.02 -0.65 -1.89 112.91 115.03 3i72 h THR 575 Ca 0.24 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 67.31 3i72 h THR 575 Cb 0.19 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3i72 h THR 575 CO -0.02 0.05 0.10 0.78 0.37 0.00 0.00 175.52 176.81 3i72 h ASN 576 N 0.03 0.04 -0.14 4.18 2.35 -0.50 -1.76 115.58 119.79 3i72 h ASN 576 Ca 0.02 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3i72 h ASN 576 Cb 0.05 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3i72 h ASN 576 CO -0.00 0.06 -0.16 1.05 -1.65 0.00 0.00 177.43 176.72 3i72 h GLU 577 N 0.24 0.36 -0.85 0.81 4.11 -0.89 -1.72 114.58 116.65 3i72 h GLU 577 Ca 0.21 -0.20 0.17 0.00 0.07 0.00 0.00 59.36 59.61 3i72 h GLU 577 Cb 0.25 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 3i72 h GLU 577 CO -0.26 0.76 0.40 1.96 0.07 0.00 0.00 179.01 181.94 3i72 h GLN 578 N -0.02 0.50 -0.59 1.06 4.20 -1.24 0.12 115.11 119.14 3i72 h GLN 578 Ca 0.02 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3i72 h GLN 578 Cb 0.71 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3i72 h GLN 578 CO 0.04 0.33 -0.00 0.74 -0.67 0.00 0.00 178.83 179.27 3i72 h PHE 579 N 0.52 1.13 -0.68 2.96 -1.00 -1.19 -2.62 116.94 116.05 3i72 h PHE 579 Ca 0.49 -0.20 0.11 0.00 2.81 0.00 0.00 57.97 61.18 3i72 h PHE 579 Cb 0.79 -0.29 -0.08 0.00 3.61 0.00 0.00 35.95 39.97 3i72 h PHE 579 CO -0.12 1.01 0.28 0.93 -1.61 0.00 0.00 178.31 178.80 3i72 h GLU 580 N 0.93 0.45 0.00 1.51 4.39 0.09 0.18 114.58 122.13 3i72 h GLU 580 Ca 0.17 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3i72 h GLU 580 Cb 0.56 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3i72 h GLU 580 CO 0.03 0.30 0.00 0.39 -1.16 0.00 0.00 179.01 178.57 3i72 n GLU 581 N -4.97 0.04 -0.05 2.33 1.02 -0.05 -1.21 120.64 117.75 3i72 n GLU 581 Ca 0.11 0.22 -0.06 0.00 -0.02 0.00 0.00 57.16 57.41 3i72 n GLU 581 Cb 0.32 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 3i72 n GLU 581 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3i72 n LEU 582 N -1.23 1.88 -0.26 -4.62 7.94 0.27 -3.31 117.00 117.68 3i72 n LEU 582 Ca 0.01 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3i72 n LEU 582 Cb 0.01 -0.15 0.22 0.00 0.53 0.00 0.00 43.42 44.03 3i72 n LEU 582 CO 0.01 0.49 1.25 -0.26 -1.11 0.00 0.00 177.39 177.78 3i72 h PHE 583 N 0.00 1.02 0.16 1.96 0.05 -0.12 -2.18 116.94 117.82 3i72 h PHE 583 Ca -0.22 0.02 -0.30 0.00 3.82 0.00 0.00 57.97 61.30 3i72 h PHE 583 Cb 1.39 -0.35 0.01 0.00 2.00 0.00 0.00 35.95 39.01 3i72 h PHE 583 CO 0.01 0.64 -1.36 -0.22 -0.18 0.00 0.00 178.31 177.20 3i72 h LYS 584 N 1.10 0.34 0.00 1.51 3.11 -1.36 0.23 116.57 121.49 3i72 h LYS 584 Ca 0.30 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 3i72 h LYS 584 Cb -0.10 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 3i72 h LYS 584 CO -0.07 1.26 0.00 1.17 -2.81 0.00 0.00 179.45 179.00 3i72 n LYS 585 N -3.57 0.08 0.00 1.90 4.81 -1.14 -3.31 118.16 116.94 3i72 n LYS 585 Ca -0.12 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3i72 n LYS 585 Cb 1.05 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 34.42 3i72 n LYS 585 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3i72 n TYR 586 N -1.84 0.00 0.00 5.64 4.01 -0.83 -5.05 117.16 119.09 3i72 n TYR 586 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3i72 n TYR 586 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3i72 n TYR 586 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i72 n GLY 587 N 1.65 2.07 0.00 2.72 0.00 0.79 -5.07 105.19 107.36 3i72 n GLY 587 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i72 n GLY 587 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32