#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvm s THR 2 N 0.00 5.38 0.45 2.03 2.01 -1.26 -1.08 115.64 123.17 2vvm s THR 2 Ca 0.00 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 2vvm s THR 2 Cb 0.00 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 2vvm s THR 2 CO 0.00 0.40 0.83 -0.55 -0.69 0.00 0.00 174.62 174.61 2vvm s SER 3 N 0.62 6.51 0.50 3.53 0.15 0.05 -4.93 113.70 120.13 2vvm s SER 3 Ca 0.08 1.23 0.29 0.00 0.70 0.00 0.00 55.95 58.25 2vvm s SER 3 Cb -0.12 -2.37 1.24 0.00 -1.71 0.00 0.00 66.02 63.06 2vvm s SER 3 CO 0.01 -0.48 1.95 0.03 1.20 0.00 0.00 173.24 175.95 2vvm h ARG 4 N 1.02 0.00 -7.35 5.44 3.08 -1.95 -3.07 114.38 111.55 2vvm h ARG 4 Ca -0.47 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.07 2vvm h ARG 4 Cb 1.19 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.31 2vvm h ARG 4 CO 0.63 0.13 0.40 -0.51 -1.07 0.00 0.00 179.97 179.55 2vvm s ASP 5 N -5.98 6.01 0.00 7.04 1.01 -1.26 -3.96 116.67 119.53 2vvm s ASP 5 Ca -0.00 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.74 2vvm s ASP 5 Cb 0.11 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.56 2vvm s ASP 5 CO 0.59 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 175.56 2vvm n GLY 6 N -2.49 0.07 3.03 0.21 0.00 -1.26 -2.46 105.19 102.28 2vvm n GLY 6 Ca 0.06 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 2vvm n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vvm s TYR 7 N -2.66 0.39 0.02 1.61 2.02 0.17 -1.14 117.35 117.75 2vvm s TYR 7 Ca 0.00 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 2vvm s TYR 7 Cb 0.00 -0.28 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 2vvm s TYR 7 CO 0.00 -0.24 -0.03 -1.14 -1.57 0.00 0.00 175.55 172.57 2vvm s GLN 8 N -2.31 0.28 -0.02 -0.62 0.74 -0.59 -2.15 119.66 114.99 2vvm s GLN 8 Ca -0.08 -0.46 0.02 0.00 0.05 0.00 0.00 55.36 54.89 2vvm s GLN 8 Cb -0.04 -0.02 0.01 0.00 1.10 0.00 0.00 33.01 34.05 2vvm s GLN 8 CO -0.04 -0.01 -0.05 -0.46 -0.55 0.00 0.00 175.29 174.18 2vvm s TRP 9 N -1.01 0.63 0.09 1.67 -0.00 0.46 -0.78 118.94 119.99 2vvm s TRP 9 Ca -0.10 -0.14 0.02 0.00 -0.00 0.00 0.00 56.10 55.89 2vvm s TRP 9 Cb -0.07 -0.49 -0.04 0.00 -0.00 0.00 0.00 33.47 32.88 2vvm s TRP 9 CO -0.00 -0.08 -0.08 0.95 -0.00 0.00 0.00 176.95 177.74 2vvm s THR 10 N 0.32 0.72 0.30 5.86 -4.23 -1.16 -0.69 115.64 116.75 2vvm s THR 10 Ca -0.04 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 2vvm s THR 10 Cb -0.08 -1.38 0.29 0.00 1.34 0.00 0.00 72.50 72.67 2vvm s THR 10 CO -0.00 -0.70 1.85 -0.65 -0.54 0.00 0.00 174.62 174.57 2vvm h PRO 11 N 3.42 0.90 -0.16 3.99 0.11 -1.87 0.63 132.00 139.03 2vvm h PRO 11 Ca -0.36 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.50 2vvm h PRO 11 Cb 1.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2vvm h PRO 11 CO 0.57 0.60 -0.70 0.93 -0.21 0.00 0.00 178.00 179.18 2vvm h GLU 12 N 0.93 0.69 0.00 1.05 3.07 -1.96 -3.35 114.58 115.01 2vvm h GLU 12 Ca 0.48 -0.53 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2vvm h GLU 12 Cb 0.53 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2vvm h GLU 12 CO -0.25 1.15 -1.04 0.25 -1.40 0.00 0.00 179.01 177.72 2vvm n THR 13 N -3.93 0.00 -4.60 1.13 -2.24 -1.12 -5.10 114.28 98.42 2vvm n THR 13 Ca -0.06 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2vvm n THR 13 Cb 0.70 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 2vvm n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvm n GLY 14 N 1.43 -0.04 3.65 3.38 0.00 0.20 -4.74 105.19 109.07 2vvm n GLY 14 Ca 0.01 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 2vvm n GLY 14 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vvm s LEU 15 N 0.00 4.12 0.01 0.99 2.96 -1.26 -2.98 118.68 122.52 2vvm s LEU 15 Ca 0.00 0.84 0.07 0.00 -0.22 0.00 0.00 54.13 54.82 2vvm s LEU 15 Cb 0.00 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 2vvm s LEU 15 CO 0.00 -0.33 -0.21 0.42 -1.32 0.00 0.00 176.35 174.92 2vvm s THR 16 N 2.15 1.65 0.06 3.68 -4.23 0.04 -5.00 115.64 113.98 2vvm s THR 16 Ca 0.29 -1.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 2vvm s THR 16 Cb -0.16 -1.39 -0.06 0.00 1.34 0.00 0.00 72.50 72.23 2vvm s THR 16 CO 0.10 0.37 0.57 -1.10 -0.54 0.00 0.00 174.62 174.02 2vvm s GLN 17 N -0.74 4.21 0.00 3.99 -0.21 -1.26 -1.54 119.66 124.12 2vvm s GLN 17 Ca 0.08 0.73 0.00 0.00 0.02 0.00 0.00 55.36 56.19 2vvm s GLN 17 Cb -0.08 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.67 2vvm s GLN 17 CO 0.00 0.60 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2vvm n GLY 18 N 1.83 -0.44 3.16 3.09 0.00 -0.29 -4.98 105.19 107.55 2vvm n GLY 18 Ca -0.10 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 2vvm n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vvm s VAL 19 N -0.31 0.66 0.61 1.61 -7.23 -1.03 -4.81 120.40 109.90 2vvm s VAL 19 Ca 0.00 -1.89 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 2vvm s VAL 19 Cb 0.00 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 2vvm s VAL 19 CO 0.00 -0.86 1.14 -2.16 -0.31 0.00 0.00 175.10 172.91 2vvm s PRO 20 N -3.75 3.01 -0.26 4.82 0.04 -1.26 -0.77 135.00 136.83 2vvm s PRO 20 Ca 0.11 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2vvm s PRO 20 Cb 0.05 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2vvm s PRO 20 CO -0.05 -1.12 0.65 0.45 0.04 0.00 0.00 177.00 176.97 2vvm s SER 21 N -2.05 -0.79 0.32 6.66 0.15 -0.24 -3.98 113.70 113.77 2vvm s SER 21 Ca 0.72 1.38 0.22 0.00 0.70 0.00 0.00 55.95 58.96 2vvm s SER 21 Cb -0.24 1.31 1.17 0.00 -1.71 0.00 0.00 66.02 66.55 2vvm s SER 21 CO 0.34 -0.23 1.68 0.18 1.20 0.00 0.00 173.24 176.41 2vvm n LEU 22 N 3.59 0.59 0.25 3.45 4.77 -1.26 -1.83 117.00 126.56 2vvm n LEU 22 Ca -0.18 0.76 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 2vvm n LEU 22 Cb 0.57 -0.81 0.55 0.00 -2.33 0.00 0.00 43.42 41.40 2vvm n LEU 22 CO 0.02 -0.91 0.90 1.23 -1.33 0.00 0.00 177.39 177.30 2vvm h GLY 23 N 0.30 0.00 -4.73 -0.72 0.00 -1.85 -3.44 103.07 92.63 2vvm h GLY 23 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2vvm h GLY 23 CO 0.00 0.00 0.83 0.14 0.00 0.00 0.00 176.54 177.51 2vvm s VAL 24 N -3.61 3.31 -0.26 4.60 1.01 -0.76 -0.90 120.40 123.79 2vvm s VAL 24 Ca 0.02 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 62.75 2vvm s VAL 24 Cb 0.09 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2vvm s VAL 24 CO 0.59 0.03 0.12 -0.63 0.00 0.00 0.00 175.10 175.21 2vvm s ILE 25 N 1.82 4.79 -0.04 2.22 -1.09 -1.03 -4.95 121.20 122.92 2vvm s ILE 25 Ca 0.67 -0.01 0.02 0.00 -2.23 0.00 0.00 60.65 59.10 2vvm s ILE 25 Cb -0.36 -3.25 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 2vvm s ILE 25 CO 0.30 0.31 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.68 2vvm s SER 26 N 1.54 1.34 0.76 3.58 0.15 -1.26 -3.49 113.70 116.32 2vvm s SER 26 Ca 0.06 -0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.38 2vvm s SER 26 Cb -0.15 -0.51 0.05 0.00 -1.71 0.00 0.00 66.02 63.70 2vvm s SER 26 CO 0.06 0.03 1.12 -2.16 1.20 0.00 0.00 173.24 173.49 2vvm s PRO 27 N 0.50 2.20 0.00 5.44 0.04 -1.26 -5.05 135.00 136.86 2vvm s PRO 27 Ca -0.09 1.35 0.16 0.00 0.04 0.00 0.00 61.00 62.47 2vvm s PRO 27 Cb -0.12 -1.88 0.79 0.00 0.04 0.00 0.00 34.50 33.33 2vvm s PRO 27 CO 0.01 -1.71 1.49 -0.35 0.04 0.00 0.00 177.00 176.48 2vvm n PRO 28 N -3.25 0.16 -3.77 0.56 -0.04 -1.23 -4.74 135.00 122.70 2vvm n PRO 28 Ca 0.10 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2vvm n PRO 28 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 2vvm n PRO 28 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2vvm s THR 29 N -2.71 0.08 -0.04 0.52 -1.32 -1.26 -0.26 115.64 110.64 2vvm s THR 29 Ca 0.13 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 60.02 2vvm s THR 29 Cb 0.11 -0.85 0.09 0.00 -1.51 0.00 0.00 72.50 70.34 2vvm s THR 29 CO 0.27 -0.36 1.00 -0.46 -2.21 0.00 0.00 174.62 172.86 2vvm n ASN 30 N 0.77 1.83 -1.51 8.08 6.94 -1.12 -5.03 115.26 125.22 2vvm n ASN 30 Ca -0.19 -2.24 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 2vvm n ASN 30 Cb 0.58 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2vvm n ASN 30 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2vvm n ILE 31 N -0.72 0.00 0.00 1.53 -5.35 -1.26 -4.92 119.36 108.64 2vvm n ILE 31 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2vvm n ILE 31 Cb 0.41 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2vvm n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vvm n GLY 38 N 4.73 2.58 3.82 3.28 0.00 -1.26 -5.10 105.19 113.23 2vvm n GLY 38 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2vvm n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vvm s PRO 39 N 2.39 2.65 -0.15 1.61 0.04 -1.26 -5.17 135.00 135.12 2vvm s PRO 39 Ca 0.00 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 61.86 2vvm s PRO 39 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2vvm s PRO 39 CO 0.00 -1.27 -0.11 -1.58 0.04 0.00 0.00 177.00 174.08 2vvm s TRP 40 N -3.09 2.85 0.07 0.56 0.52 -1.26 -4.96 118.94 113.63 2vvm s TRP 40 Ca 0.59 -0.71 -0.21 0.00 0.02 0.00 0.00 56.10 55.79 2vvm s TRP 40 Cb -0.14 -1.90 -0.11 0.00 -1.15 0.00 0.00 33.47 30.18 2vvm s TRP 40 CO 0.55 -0.28 1.56 -0.44 0.02 0.00 0.00 176.95 178.35 2vvm h ASP 41 N 6.98 0.26 -3.97 2.95 3.32 -1.60 -3.12 116.42 121.24 2vvm h ASP 41 Ca -0.29 -0.24 -0.26 0.00 0.02 0.00 0.00 57.03 56.26 2vvm h ASP 41 Cb 1.20 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.41 2vvm h ASP 41 CO 0.57 0.43 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.10 2vvm s VAL 42 N -5.26 0.18 -0.17 -1.35 1.01 -1.02 -2.26 120.40 111.52 2vvm s VAL 42 Ca -0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2vvm s VAL 42 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 2vvm s VAL 42 CO 0.71 -0.03 -0.02 -0.63 0.00 0.00 0.00 175.10 175.13 2vvm s ILE 43 N -0.26 4.00 -0.23 2.22 1.01 -0.65 -0.84 121.20 126.44 2vvm s ILE 43 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2vvm s ILE 43 Cb -0.02 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2vvm s ILE 43 CO -0.00 0.47 0.04 -0.69 0.00 0.00 0.00 174.94 174.76 2vvm s VAL 44 N 0.54 4.15 -0.29 2.92 1.01 0.19 -0.47 120.40 128.45 2vvm s VAL 44 Ca -0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 2vvm s VAL 44 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2vvm s VAL 44 CO 0.02 0.37 0.37 -0.63 0.00 0.00 0.00 175.10 175.23 2vvm s ILE 45 N 1.44 5.17 0.00 2.22 1.01 0.23 -0.74 121.20 130.54 2vvm s ILE 45 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2vvm s ILE 45 Cb -0.15 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2vvm s ILE 45 CO 0.02 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2vvm n GLY 46 N 4.76 1.10 1.92 6.18 0.00 0.66 -1.32 105.19 118.49 2vvm n GLY 46 Ca -0.09 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 2vvm n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvm n GLY 47 N 2.64 5.71 1.00 -0.02 0.00 -1.26 -3.97 105.19 109.29 2vvm n GLY 47 Ca 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 2vvm n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvm n GLY 48 N -0.92 -1.94 0.28 -0.02 0.00 -1.26 -0.93 105.19 100.40 2vvm n GLY 48 Ca 0.49 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 45.04 2vvm n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2vvm h TYR 49 N -1.55 0.04 0.31 1.61 0.05 -1.93 0.61 116.97 116.10 2vvm h TYR 49 Ca -0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2vvm h TYR 49 Cb 0.33 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2vvm h TYR 49 CO 0.00 0.02 -0.15 0.00 -1.05 0.00 0.00 178.16 176.98 2vvm h GLY 51 N -0.82 1.44 1.01 0.00 0.00 -1.63 -1.65 103.07 101.42 2vvm h GLY 51 Ca -0.04 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 2vvm h GLY 51 CO 0.07 0.43 0.10 1.41 0.00 0.00 0.00 176.54 178.54 2vvm h LEU 52 N 1.25 0.86 -0.09 3.11 3.38 -0.87 -0.30 115.31 122.66 2vvm h LEU 52 Ca 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2vvm h LEU 52 Cb -0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2vvm h LEU 52 CO -0.12 0.90 0.03 0.74 0.09 0.00 0.00 178.44 180.07 2vvm h THR 53 N 0.79 1.18 -0.36 0.22 2.02 -1.04 -0.34 112.91 115.38 2vvm h THR 53 Ca 0.17 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.81 2vvm h THR 53 Cb 0.40 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2vvm h THR 53 CO 0.01 0.16 0.22 0.00 0.37 0.00 0.00 175.52 176.27 2vvm h ALA 54 N 0.83 0.45 -0.47 6.16 0.00 -1.26 -0.67 119.26 124.30 2vvm h ALA 54 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2vvm h ALA 54 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vvm h ALA 54 CO -0.00 -0.12 0.17 1.15 0.00 0.00 0.00 179.25 180.44 2vvm h THR 55 N 0.44 1.22 0.12 0.00 2.02 -1.00 -0.10 112.91 115.60 2vvm h THR 55 Ca 0.14 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2vvm h THR 55 Cb -0.01 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2vvm h THR 55 CO -0.06 0.25 -0.06 -0.09 0.37 0.00 0.00 175.52 175.94 2vvm h ARG 56 N 0.62 -0.15 -0.48 6.66 1.12 -0.84 -0.80 114.38 120.51 2vvm h ARG 56 Ca 0.15 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.10 2vvm h ARG 56 Cb 0.23 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.17 2vvm h ARG 56 CO -0.01 -0.00 0.18 -0.44 -3.11 0.00 0.00 179.97 176.58 2vvm h ASP 57 N -0.27 0.19 -0.04 -3.80 5.19 -1.01 -1.22 116.42 115.45 2vvm h ASP 57 Ca -0.02 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2vvm h ASP 57 Cb 0.22 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 2vvm h ASP 57 CO 0.03 0.14 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.21 2vvm h LEU 58 N 0.35 0.08 -0.73 1.55 3.38 -0.87 -1.38 115.31 117.69 2vvm h LEU 58 Ca 0.23 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2vvm h LEU 58 Cb 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2vvm h LEU 58 CO -0.23 0.38 0.34 0.71 0.09 0.00 0.00 178.44 179.73 2vvm h THR 59 N -0.23 1.24 -0.48 0.22 1.35 -1.09 -0.76 112.91 113.16 2vvm h THR 59 Ca 0.01 -0.69 -0.04 0.00 -0.55 0.00 0.00 66.41 65.14 2vvm h THR 59 Cb 0.34 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 2vvm h THR 59 CO 0.00 0.29 0.15 0.58 -0.25 0.00 0.00 175.52 176.29 2vvm h VAL 60 N 1.03 1.19 0.00 6.82 2.07 -1.19 -2.14 116.25 124.03 2vvm h VAL 60 Ca 0.25 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2vvm h VAL 60 Cb 0.14 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2vvm h VAL 60 CO -0.03 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.81 2vvm n ALA 61 N -2.46 2.57 0.00 1.67 0.00 -0.53 -4.89 120.51 116.87 2vvm n ALA 61 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2vvm n ALA 61 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2vvm n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vvm n GLY 62 N 1.12 1.00 3.73 0.00 0.00 -0.77 -5.06 105.19 105.21 2vvm n GLY 62 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2vvm n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vvm s PHE 63 N -2.00 3.63 -0.34 1.61 0.08 -0.36 -4.99 117.98 115.61 2vvm s PHE 63 Ca 0.00 1.26 -0.29 0.00 0.12 0.00 0.00 56.93 58.03 2vvm s PHE 63 Cb 0.00 -2.75 -0.00 0.00 -0.57 0.00 0.00 43.02 39.70 2vvm s PHE 63 CO 0.00 0.19 1.47 0.21 -0.10 0.00 0.00 175.22 176.99 2vvm s LYS 64 N 0.39 3.66 -0.10 0.44 2.20 -1.26 -3.95 119.74 121.12 2vvm s LYS 64 Ca 0.36 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 57.20 2vvm s LYS 64 Cb -0.18 -4.01 0.01 0.00 -1.51 0.00 0.00 37.83 32.13 2vvm s LYS 64 CO 0.18 -1.45 -0.20 0.99 -0.36 0.00 0.00 175.35 174.52 2vvm s THR 65 N 5.33 1.76 -0.28 3.43 2.01 -0.50 -1.49 115.64 125.90 2vvm s THR 65 Ca 0.64 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 2vvm s THR 65 Cb -0.17 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 2vvm s THR 65 CO 0.30 0.49 0.10 -0.22 -0.69 0.00 0.00 174.62 174.60 2vvm s LEU 66 N 0.60 3.77 -0.24 4.42 2.96 -0.02 -0.52 118.68 129.64 2vvm s LEU 66 Ca -0.14 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 2vvm s LEU 66 Cb -0.17 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2vvm s LEU 66 CO 0.04 -0.13 0.35 -0.22 -1.32 0.00 0.00 176.35 175.07 2vvm s LEU 67 N 1.58 4.08 -0.20 -0.68 0.20 0.61 -0.64 118.68 123.64 2vvm s LEU 67 Ca 0.05 0.33 -0.04 0.00 0.69 0.00 0.00 54.13 55.16 2vvm s LEU 67 Cb -0.16 -2.40 -0.01 0.00 -0.43 0.00 0.00 46.19 43.18 2vvm s LEU 67 CO 0.04 -0.11 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.19 2vvm s LEU 68 N 1.68 3.00 -0.06 -0.68 1.43 0.09 -1.20 118.68 122.93 2vvm s LEU 68 Ca 0.15 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2vvm s LEU 68 Cb -0.15 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2vvm s LEU 68 CO 0.09 0.04 -0.12 -0.70 0.23 0.00 0.00 176.35 175.88 2vvm s GLU 69 N 1.14 1.62 0.21 1.70 2.56 -0.44 -0.25 118.70 125.25 2vvm s GLU 69 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 54.97 54.49 2vvm s GLU 69 Cb -0.15 -1.36 0.16 0.00 2.00 0.00 0.00 34.13 34.79 2vvm s GLU 69 CO -0.00 0.04 1.83 0.00 -0.56 0.00 0.00 175.26 176.57 2vvm h ALA 70 N 6.89 1.01 -2.01 6.30 0.00 -1.86 0.54 119.26 130.13 2vvm h ALA 70 Ca -0.31 -0.12 -0.45 0.00 0.00 0.00 0.00 54.91 54.03 2vvm h ALA 70 Cb 1.18 -0.31 0.15 0.00 0.00 0.00 0.00 17.79 18.82 2vvm h ALA 70 CO 0.48 0.52 0.40 1.03 0.00 0.00 0.00 179.25 181.68 2vvm s ARG 71 N -5.84 0.78 0.00 0.00 0.52 -1.26 -3.32 118.95 109.83 2vvm s ARG 71 Ca -0.13 -0.43 0.17 0.00 -0.52 0.00 0.00 55.73 54.82 2vvm s ARG 71 Cb 0.15 -1.89 0.53 0.00 0.52 0.00 0.00 34.95 34.27 2vvm s ARG 71 CO 0.81 -2.30 1.41 -0.40 0.02 0.00 0.00 175.30 174.84 2vvm n ASP 72 N -3.68 2.03 -4.05 0.23 5.68 -1.26 -1.08 116.55 114.42 2vvm n ASP 72 Ca 0.15 -1.87 -0.10 0.00 -0.50 0.00 0.00 54.79 52.47 2vvm n ASP 72 Cb 0.60 -0.20 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 2vvm n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vvm s ARG 73 N -1.61 1.13 0.56 0.11 1.70 -1.26 -2.45 118.95 117.12 2vvm s ARG 73 Ca 0.30 -1.32 0.03 0.00 -0.47 0.00 0.00 55.73 54.27 2vvm s ARG 73 Cb 0.16 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.92 2vvm s ARG 73 CO 0.23 -0.39 0.78 0.96 -1.08 0.00 0.00 175.30 175.79 2vvm s ILE 74 N -4.02 2.59 0.00 4.99 -4.36 -0.08 -4.71 121.20 115.61 2vvm s ILE 74 Ca 0.23 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 2vvm s ILE 74 Cb 0.05 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2vvm s ILE 74 CO 0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.82 2vvm n GLY 75 N -2.33 2.07 7.00 6.27 0.00 -0.10 -4.78 105.19 113.32 2vvm n GLY 75 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2vvm n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvm n GLY 76 N 0.00 3.18 0.00 -0.02 0.00 -1.26 -1.33 105.19 105.75 2vvm n GLY 76 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 46.02 46.31 2vvm n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvm n ARG 77 N 9.30 0.99 -3.77 1.61 1.74 -1.26 -4.61 116.66 120.66 2vvm n ARG 77 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2vvm n ARG 77 Cb 0.00 -1.06 -0.18 0.00 -1.02 0.00 0.00 32.46 30.21 2vvm n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vvm s SER 78 N -1.12 1.34 -0.07 0.55 0.15 -0.44 -0.73 113.70 113.37 2vvm s SER 78 Ca 0.05 -0.04 -0.30 0.00 0.70 0.00 0.00 55.95 56.37 2vvm s SER 78 Cb 0.02 -0.34 0.11 0.00 -1.71 0.00 0.00 66.02 64.10 2vvm s SER 78 CO 0.04 -0.20 0.88 -1.66 1.20 0.00 0.00 173.24 173.51 2vvm s TRP 79 N 1.90 -0.43 0.09 3.44 1.48 -1.26 -4.31 118.94 119.85 2vvm s TRP 79 Ca 0.03 0.59 0.10 0.00 -1.06 0.00 0.00 56.10 55.76 2vvm s TRP 79 Cb -0.12 0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 32.63 2vvm s TRP 79 CO -0.04 -0.48 -0.26 -1.54 -4.06 0.00 0.00 176.95 170.56 2vvm s SER 80 N -1.63 3.27 -0.21 -2.66 1.04 -1.26 -1.15 113.70 111.10 2vvm s SER 80 Ca -0.01 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2vvm s SER 80 Cb -0.01 -0.27 0.03 0.00 0.10 0.00 0.00 66.02 65.88 2vvm s SER 80 CO -0.01 0.22 -0.14 -0.55 0.98 0.00 0.00 173.24 173.74 2vvm s SER 81 N -1.68 3.70 -0.51 7.02 0.15 -0.25 -4.30 113.70 117.83 2vvm s SER 81 Ca 0.13 -0.83 -0.26 0.00 0.70 0.00 0.00 55.95 55.69 2vvm s SER 81 Cb -0.10 -1.55 0.03 0.00 -1.71 0.00 0.00 66.02 62.70 2vvm s SER 81 CO 0.04 -0.06 1.03 0.20 1.20 0.00 0.00 173.24 175.65 2vvm s ASN 82 N 1.27 6.48 -0.19 5.45 0.01 -1.26 -0.67 114.94 126.03 2vvm s ASN 82 Ca 0.01 0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.25 2vvm s ASN 82 Cb -0.15 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2vvm s ASN 82 CO -0.09 -1.23 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.45 2vvm s ILE 83 N 4.22 2.04 -1.53 0.60 1.01 -0.50 -4.67 121.20 122.37 2vvm s ILE 83 Ca 0.39 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2vvm s ILE 83 Cb -0.09 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.56 2vvm s ILE 83 CO 0.26 0.48 0.54 0.47 0.00 0.00 0.00 174.94 176.69 2vvm n ASP 84 N 4.61 -1.47 0.00 3.58 8.00 -1.26 -2.20 116.55 127.81 2vvm n ASP 84 Ca -0.20 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2vvm n ASP 84 Cb 0.49 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 2vvm n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vvm n GLY 85 N -1.80 0.50 3.14 0.44 0.00 -1.26 -4.51 105.19 101.70 2vvm n GLY 85 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2vvm n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vvm s TYR 86 N -2.01 2.30 -0.36 1.61 5.04 -0.93 -4.73 117.35 118.26 2vvm s TYR 86 Ca 0.00 -1.03 -0.29 0.00 -2.44 0.00 0.00 57.07 53.31 2vvm s TYR 86 Cb 0.00 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.75 2vvm s TYR 86 CO 0.00 -0.46 1.14 -1.25 -1.34 0.00 0.00 175.55 173.64 2vvm s PRO 87 N 0.66 3.94 -0.23 4.97 0.04 -1.26 -1.41 135.00 141.71 2vvm s PRO 87 Ca -0.12 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 61.71 2vvm s PRO 87 Cb -0.16 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 2vvm s PRO 87 CO 0.03 -1.08 0.51 0.71 0.04 0.00 0.00 177.00 177.20 2vvm s TYR 88 N 4.05 3.33 -0.58 0.56 2.02 0.15 -4.88 117.35 122.00 2vvm s TYR 88 Ca 0.49 0.70 -0.23 0.00 -0.37 0.00 0.00 57.07 57.65 2vvm s TYR 88 Cb -0.12 -2.68 0.05 0.00 -0.40 0.00 0.00 41.96 38.82 2vvm s TYR 88 CO 0.21 -0.17 0.90 -1.21 -1.57 0.00 0.00 175.55 173.72 2vvm s GLU 89 N 1.90 3.24 0.30 -0.62 0.41 -1.26 -1.09 118.70 121.57 2vvm s GLU 89 Ca 0.22 -0.52 0.11 0.00 -0.41 0.00 0.00 54.97 54.37 2vvm s GLU 89 Cb -0.15 -4.11 0.46 0.00 -1.78 0.00 0.00 34.13 28.55 2vvm s GLU 89 CO 0.09 -1.54 1.68 0.52 -0.49 0.00 0.00 175.26 175.52 2vvm h MET 90 N 9.34 0.02 0.00 1.61 2.86 -1.52 -3.46 114.93 123.77 2vvm h MET 90 Ca -0.27 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2vvm h MET 90 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2vvm h MET 90 CO 1.10 0.55 0.00 0.41 1.06 0.00 0.00 176.91 180.03 2vvm n GLY 91 N 0.02 4.71 3.63 8.32 0.00 -1.25 -4.55 105.19 116.06 2vvm n GLY 91 Ca -0.01 -0.63 -0.53 0.00 0.00 0.00 0.00 46.02 44.85 2vvm n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvm n GLY 92 N 0.00 0.67 1.32 -0.02 0.00 0.09 -4.86 105.19 102.39 2vvm n GLY 92 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2vvm n GLY 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vvm n THR 93 N 3.21 0.54 -3.59 2.61 -1.04 -1.26 -4.46 114.28 110.29 2vvm n THR 93 Ca 0.20 0.18 -0.34 0.00 -2.04 0.00 0.00 64.05 62.05 2vvm n THR 93 Cb 0.19 -1.24 -0.05 0.00 -1.82 0.00 0.00 70.33 67.41 2vvm n THR 93 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 2vvm s TRP 94 N -2.00 3.55 0.13 -1.42 0.51 -1.26 -4.54 118.94 113.91 2vvm s TRP 94 Ca 0.00 0.74 -0.02 0.00 -2.12 0.00 0.00 56.10 54.70 2vvm s TRP 94 Cb 0.00 -2.13 -0.04 0.00 -0.81 0.00 0.00 33.47 30.49 2vvm s TRP 94 CO 0.00 0.49 0.07 0.14 -0.51 0.00 0.00 176.95 177.14 2vvm s VAL 95 N -1.47 0.11 0.09 4.03 -7.23 -0.60 -4.92 120.40 110.40 2vvm s VAL 95 Ca 0.35 -1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 2vvm s VAL 95 Cb -0.13 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 34.91 2vvm s VAL 95 CO 0.19 -0.50 0.58 -2.28 -0.31 0.00 0.00 175.10 172.78 2vvm s HIS 96 N -4.02 -0.51 -1.01 2.82 2.46 -1.26 -4.16 115.29 109.61 2vvm s HIS 96 Ca 0.21 0.49 0.15 0.00 0.47 0.00 0.00 55.06 56.38 2vvm s HIS 96 Cb 0.07 0.45 0.63 0.00 -0.13 0.00 0.00 32.58 33.60 2vvm s HIS 96 CO 0.00 -0.74 1.47 -2.67 -2.47 0.00 0.00 174.74 170.34 2vvm n TRP 97 N 0.10 0.00 1.71 3.88 2.14 -1.26 -1.49 117.44 122.51 2vvm n TRP 97 Ca -0.18 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.51 2vvm n TRP 97 Cb 0.62 -0.50 0.56 0.00 -0.81 0.00 0.00 31.31 31.18 2vvm n TRP 97 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 2vvm n HIS 98 N -1.50 0.06 -3.60 -2.67 8.25 -1.26 -4.56 115.22 109.95 2vvm n HIS 98 Ca 0.04 -0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2vvm n HIS 98 Cb 0.17 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 2vvm n HIS 98 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2vvm s GLN 99 N -1.94 2.49 0.13 -0.41 -0.21 -0.56 -5.00 119.66 114.16 2vvm s GLN 99 Ca 0.34 -1.64 -0.20 0.00 0.02 0.00 0.00 55.36 53.88 2vvm s GLN 99 Cb 0.17 -3.82 -0.01 0.00 1.00 0.00 0.00 33.01 30.34 2vvm s GLN 99 CO 0.27 -1.08 1.71 1.03 -2.12 0.00 0.00 175.29 175.10 2vvm h SER 100 N 8.39 -0.17 0.03 5.90 0.87 -1.84 -1.36 113.55 125.37 2vvm h SER 100 Ca -0.21 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2vvm h SER 100 Cb 1.07 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2vvm h SER 100 CO 0.80 -0.06 -0.47 0.45 -0.53 0.00 0.00 176.83 177.03 2vvm h HIS 101 N 0.02 0.41 -0.62 2.24 3.86 -1.95 -1.17 115.15 117.95 2vvm h HIS 101 Ca 0.11 -0.25 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 2vvm h HIS 101 Cb 0.16 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 2vvm h HIS 101 CO -0.22 1.09 0.14 -0.24 0.86 0.00 0.00 177.93 179.57 2vvm h VAL 102 N -0.39 1.25 -0.29 2.45 3.04 -1.79 -2.71 116.25 117.80 2vvm h VAL 102 Ca -0.07 -0.93 -0.09 0.00 -1.01 0.00 0.00 66.70 64.61 2vvm h VAL 102 Cb 1.25 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 2vvm h VAL 102 CO 0.09 0.35 -0.18 -0.25 -1.01 0.00 0.00 177.57 176.57 2vvm h TRP 103 N 0.91 0.58 -0.43 3.17 2.91 -1.26 -0.02 115.95 121.80 2vvm h TRP 103 Ca 0.19 -0.11 0.01 0.00 1.13 0.00 0.00 58.89 60.12 2vvm h TRP 103 Cb 0.36 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 2vvm h TRP 103 CO 0.03 0.68 0.27 -0.09 -1.03 0.00 0.00 178.44 178.30 2vvm h ARG 104 N 0.48 0.54 -0.45 2.65 1.12 -1.06 -0.28 114.38 117.37 2vvm h ARG 104 Ca 0.08 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.85 2vvm h ARG 104 Cb 0.58 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 2vvm h ARG 104 CO 0.04 0.36 0.02 0.93 -3.11 0.00 0.00 179.97 178.20 2vvm h GLU 105 N 0.55 0.78 -0.37 0.20 4.39 -1.14 -1.02 114.58 117.97 2vvm h GLU 105 Ca 0.16 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.65 2vvm h GLU 105 Cb -0.03 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2vvm h GLU 105 CO -0.05 0.83 0.18 0.82 -1.16 0.00 0.00 179.01 179.63 2vvm h ILE 106 N 0.63 0.97 -0.19 3.13 2.04 -0.77 -0.28 117.51 123.05 2vvm h ILE 106 Ca 0.13 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2vvm h ILE 106 Cb 0.47 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2vvm h ILE 106 CO 0.02 0.07 -0.07 0.74 0.00 0.00 0.00 178.15 178.91 2vvm h THR 107 N 0.36 1.30 -0.68 -0.27 2.02 -0.98 0.18 112.91 114.85 2vvm h THR 107 Ca 0.16 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 2vvm h THR 107 Cb 0.08 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2vvm h THR 107 CO -0.12 0.33 0.31 -0.09 0.37 0.00 0.00 175.52 176.32 2vvm h ARG 108 N 0.08 0.98 -0.15 6.66 2.43 -1.05 0.02 114.38 123.35 2vvm h ARG 108 Ca 0.04 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2vvm h ARG 108 Cb 0.53 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2vvm h ARG 108 CO 0.02 0.76 0.00 0.66 -1.51 0.00 0.00 179.97 179.91 2vvm n TYR 109 N -4.33 0.20 -3.84 2.20 4.01 -0.13 -4.93 117.16 110.34 2vvm n TYR 109 Ca 0.06 -0.10 -0.26 0.00 -0.16 0.00 0.00 57.90 57.44 2vvm n TYR 109 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2vvm n TYR 109 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2vvm n LYS 110 N -0.06 -4.85 -0.14 -0.72 5.02 -0.01 -4.89 118.16 112.52 2vvm n LYS 110 Ca 0.07 0.57 0.04 0.00 -2.02 0.00 0.00 58.31 56.97 2vvm n LYS 110 Cb 0.14 -5.20 0.12 0.00 -0.02 0.00 0.00 35.03 30.07 2vvm n LYS 110 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2vvm n MET 111 N -4.45 2.88 0.24 1.97 2.81 0.58 -4.64 117.12 116.52 2vvm n MET 111 Ca -0.16 -1.93 0.15 0.00 -1.81 0.00 0.00 57.70 53.95 2vvm n MET 111 Cb 0.61 -1.21 0.82 0.00 -0.71 0.00 0.00 33.22 32.74 2vvm n MET 111 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2vvm h HIS 112 N 1.60 0.00 -0.46 2.03 2.07 -1.88 -0.95 115.15 117.56 2vvm h HIS 112 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2vvm h HIS 112 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 2vvm h HIS 112 CO 0.18 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.31 2vvm n ASN 113 N -3.99 3.13 -1.39 3.10 6.94 -1.26 -4.42 115.26 117.36 2vvm n ASN 113 Ca -0.01 -1.96 -0.10 0.00 -0.02 0.00 0.00 54.58 52.50 2vvm n ASN 113 Cb 0.19 -0.30 0.17 0.00 -2.36 0.00 0.00 39.78 37.48 2vvm n ASN 113 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2vvm n ALA 114 N 1.24 4.61 -2.79 -2.53 0.00 -0.36 -5.00 120.51 115.67 2vvm n ALA 114 Ca 0.19 -3.26 -0.21 0.00 0.00 0.00 0.00 53.44 50.16 2vvm n ALA 114 Cb 0.53 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 2vvm n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2vvm s LEU 115 N -3.34 3.90 -0.01 0.00 1.43 -1.26 -0.81 118.68 118.58 2vvm s LEU 115 Ca 0.47 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2vvm s LEU 115 Cb 0.42 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 2vvm s LEU 115 CO 0.00 -0.11 -0.08 -0.55 0.23 0.00 0.00 176.35 175.84 2vvm s SER 116 N -3.91 0.99 0.05 2.29 0.15 0.71 -4.67 113.70 109.30 2vvm s SER 116 Ca 0.35 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 2vvm s SER 116 Cb -0.08 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 2vvm s SER 116 CO 0.26 0.09 0.96 -2.16 1.20 0.00 0.00 173.24 173.59 2vvm s PRO 117 N -0.06 4.62 0.14 5.44 0.04 -1.26 -1.48 135.00 142.43 2vvm s PRO 117 Ca 0.01 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 2vvm s PRO 117 Cb -0.05 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2vvm s PRO 117 CO -0.00 0.08 1.56 0.77 0.04 0.00 0.00 177.00 179.45 2vvm h SER 118 N 6.22 0.81 -3.40 6.66 0.02 -1.19 -3.44 113.55 119.24 2vvm h SER 118 Ca -0.42 -0.34 -0.55 0.00 -0.84 0.00 0.00 61.79 59.64 2vvm h SER 118 Cb 1.21 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 2vvm h SER 118 CO 0.73 0.96 0.13 -0.36 -1.14 0.00 0.00 176.83 177.16 2vvm s PHE 119 N -4.88 3.71 -0.20 3.45 0.08 -1.26 -4.24 117.98 114.64 2vvm s PHE 119 Ca -0.12 1.41 -0.04 0.00 0.12 0.00 0.00 56.93 58.30 2vvm s PHE 119 Cb 0.11 -2.79 0.09 0.00 -0.57 0.00 0.00 43.02 39.86 2vvm s PHE 119 CO 0.82 0.27 0.23 1.21 -0.10 0.00 0.00 175.22 177.64 2vvm s ASN 120 N 0.01 1.32 -0.13 1.36 3.84 -1.26 -5.03 114.94 115.05 2vvm s ASN 120 Ca 0.37 -0.19 0.15 0.00 0.21 0.00 0.00 52.86 53.41 2vvm s ASN 120 Cb -0.20 0.41 0.56 0.00 -0.55 0.00 0.00 41.25 41.47 2vvm s ASN 120 CO 0.22 -0.32 1.48 0.49 -2.79 0.00 0.00 177.10 176.17 2vvm n PHE 121 N 5.32 1.11 0.27 0.43 3.72 -1.26 -3.81 117.46 123.24 2vvm n PHE 121 Ca -0.05 -0.71 0.15 0.00 -0.05 0.00 0.00 57.45 56.78 2vvm n PHE 121 Cb 0.50 -0.26 0.47 0.00 -0.94 0.00 0.00 39.48 39.25 2vvm n PHE 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2vvm h SER 122 N 2.66 0.00 -5.22 4.37 4.64 -1.97 -3.46 113.55 114.56 2vvm h SER 122 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2vvm h SER 122 Cb 1.36 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.33 2vvm h SER 122 CO 0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.96 2vvm s ARG 123 N -3.46 1.28 0.75 4.77 1.70 -1.26 -5.14 118.95 117.58 2vvm s ARG 123 Ca 0.04 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 2vvm s ARG 123 Cb 0.08 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.88 2vvm s ARG 123 CO 0.59 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 2vvm n GLY 124 N -0.27 -1.76 0.23 3.88 0.00 -1.26 -4.15 105.19 101.85 2vvm n GLY 124 Ca -0.07 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.27 2vvm n GLY 124 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2vvm h VAL 125 N 0.00 1.03 -6.55 1.61 -1.51 -1.18 -3.47 116.25 106.18 2vvm h VAL 125 Ca 0.00 -0.65 -0.51 0.00 -1.23 0.00 0.00 66.70 64.31 2vvm h VAL 125 Cb 0.00 1.36 -0.07 0.00 -2.13 0.00 0.00 31.29 30.44 2vvm h VAL 125 CO 0.00 0.18 -0.89 -3.20 -1.23 0.00 0.00 177.57 172.43 2vvm n ASN 126 N -4.18 -0.42 -3.99 4.19 5.15 -1.21 -4.95 115.26 109.86 2vvm n ASN 126 Ca -0.02 -1.03 -0.09 0.00 -0.60 0.00 0.00 54.58 52.84 2vvm n ASN 126 Cb 0.25 -2.93 -0.08 0.00 -0.53 0.00 0.00 39.78 36.49 2vvm n ASN 126 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 2vvm s HIS 127 N -3.95 0.43 -0.22 1.20 -3.43 -1.18 -4.51 115.29 103.64 2vvm s HIS 127 Ca 0.05 -0.85 -0.09 0.00 -0.80 0.00 0.00 55.06 53.37 2vvm s HIS 127 Cb -0.03 -0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 2vvm s HIS 127 CO 0.90 -0.57 0.12 0.12 -2.00 0.00 0.00 174.74 173.31 2vvm s PHE 128 N -3.94 3.30 -0.36 0.38 5.36 0.23 -2.25 117.98 120.71 2vvm s PHE 128 Ca 0.13 0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 56.18 2vvm s PHE 128 Cb 0.05 -2.19 0.04 0.00 -0.34 0.00 0.00 43.02 40.58 2vvm s PHE 128 CO -0.05 0.11 0.16 -1.14 -1.46 0.00 0.00 175.22 172.84 2vvm s GLN 129 N 0.74 2.69 -0.25 10.12 0.74 0.28 -1.56 119.66 132.42 2vvm s GLN 129 Ca 0.06 -1.17 -0.10 0.00 0.05 0.00 0.00 55.36 54.21 2vvm s GLN 129 Cb -0.13 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 2vvm s GLN 129 CO 0.02 -0.71 0.14 -1.17 -0.55 0.00 0.00 175.29 173.01 2vvm s LEU 130 N 1.46 3.88 -0.20 3.68 2.96 0.62 -1.64 118.68 129.45 2vvm s LEU 130 Ca 0.00 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2vvm s LEU 130 Cb -0.20 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.47 2vvm s LEU 130 CO 0.04 0.02 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.79 2vvm s ARG 131 N 1.34 2.90 0.00 1.98 0.52 0.44 0.14 118.95 126.27 2vvm s ARG 131 Ca 0.06 -0.90 0.10 0.00 -0.52 0.00 0.00 55.73 54.47 2vvm s ARG 131 Cb -0.15 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2vvm s ARG 131 CO 0.06 -0.27 0.64 0.25 0.02 0.00 0.00 175.30 176.00 2vvm n THR 132 N 4.60 0.00 -3.80 0.02 -2.24 -1.26 -1.18 114.28 110.43 2vvm n THR 132 Ca -0.20 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 2vvm n THR 132 Cb 0.49 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 2vvm n THR 132 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2vvm s ASN 133 N -1.29 0.03 0.22 3.42 2.20 -1.26 -4.49 114.94 113.77 2vvm s ASN 133 Ca 0.08 -0.56 0.19 0.00 -0.94 0.00 0.00 52.86 51.64 2vvm s ASN 133 Cb 0.08 0.37 0.89 0.00 -2.00 0.00 0.00 41.25 40.59 2vvm s ASN 133 CO 0.23 -0.76 1.58 -2.65 -2.94 0.00 0.00 177.10 172.57 2vvm n PRO 134 N -0.09 0.13 -0.03 3.55 -0.02 -1.26 -3.54 135.00 133.74 2vvm n PRO 134 Ca -0.15 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 2vvm n PRO 134 Cb 0.63 -1.81 -0.16 0.00 -0.02 0.00 0.00 33.50 32.14 2vvm n PRO 134 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2vvm n THR 135 N -2.07 0.29 -4.42 3.45 -2.24 -1.26 -5.03 114.28 103.00 2vvm n THR 135 Ca 0.01 -0.54 -0.22 0.00 -2.27 0.00 0.00 64.05 61.03 2vvm n THR 135 Cb 0.13 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.19 2vvm n THR 135 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vvm s THR 136 N -3.20 0.53 -0.00 4.28 -4.23 -1.23 -5.17 115.64 106.61 2vvm s THR 136 Ca -0.08 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 2vvm s THR 136 Cb 0.11 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.47 2vvm s THR 136 CO 0.83 0.00 0.09 -0.44 -0.54 0.00 0.00 174.62 174.56 2vvm s SER 137 N -3.48 0.05 -0.15 3.99 0.01 -1.26 -4.61 113.70 108.25 2vvm s SER 137 Ca 0.31 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2vvm s SER 137 Cb 0.04 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 2vvm s SER 137 CO 0.17 -0.29 -0.04 -0.89 0.41 0.00 0.00 173.24 172.59 2vvm s THR 138 N -1.15 3.88 -0.04 1.44 2.01 0.12 -4.98 115.64 116.92 2vvm s THR 138 Ca -0.12 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2vvm s THR 138 Cb -0.07 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2vvm s THR 138 CO 0.01 0.50 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.07 2vvm s TYR 139 N 0.31 2.96 0.15 4.92 2.02 -1.26 -0.28 117.35 126.17 2vvm s TYR 139 Ca -0.04 0.03 -0.13 0.00 -0.37 0.00 0.00 57.07 56.56 2vvm s TYR 139 Cb -0.14 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2vvm s TYR 139 CO 0.03 0.37 0.36 0.00 -1.57 0.00 0.00 175.55 174.75 2vvm s MET 140 N -1.07 1.13 0.84 -0.62 0.23 -0.60 -5.00 119.30 114.21 2vvm s MET 140 Ca 0.15 -0.92 -0.10 0.00 -1.03 0.00 0.00 55.69 53.79 2vvm s MET 140 Cb -0.11 0.44 0.10 0.00 -1.53 0.00 0.00 34.83 33.73 2vvm s MET 140 CO 0.04 -0.43 1.11 0.95 -2.03 0.00 0.00 175.02 174.66 2vvm s THR 141 N -3.87 2.73 0.34 3.16 -4.23 -1.26 -0.60 115.64 111.91 2vvm s THR 141 Ca 0.09 0.24 0.18 0.00 -1.18 0.00 0.00 61.69 61.01 2vvm s THR 141 Cb 0.02 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.50 2vvm s THR 141 CO -0.06 -0.31 1.87 0.45 -0.54 0.00 0.00 174.62 176.03 2vvm h HIS 142 N -1.49 0.00 -0.49 3.99 3.86 -1.91 -0.21 115.15 118.89 2vvm h HIS 142 Ca -0.44 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.76 2vvm h HIS 142 Cb 1.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 2vvm h HIS 142 CO 0.54 0.30 0.24 1.49 0.86 0.00 0.00 177.93 181.36 2vvm h GLU 143 N 0.00 0.70 -0.52 2.45 4.81 -1.97 0.03 114.58 120.09 2vvm h GLU 143 Ca -0.00 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2vvm h GLU 143 Cb 0.62 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2vvm h GLU 143 CO 0.04 0.58 -0.08 0.00 -0.73 0.00 0.00 179.01 178.82 2vvm h ALA 144 N 1.08 0.88 -0.17 2.92 0.00 -1.78 -1.96 119.26 120.23 2vvm h ALA 144 Ca 0.17 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2vvm h ALA 144 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2vvm h ALA 144 CO -0.02 0.64 -0.04 1.49 0.00 0.00 0.00 179.25 181.32 2vvm h GLU 145 N 0.85 -0.00 -0.61 0.00 4.81 -0.89 -0.76 114.58 117.98 2vvm h GLU 145 Ca 0.14 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2vvm h GLU 145 Cb 0.61 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.92 2vvm h GLU 145 CO 0.04 -0.00 0.23 -0.44 -0.73 0.00 0.00 179.01 178.11 2vvm h ASP 146 N -0.00 0.22 -0.51 1.04 3.32 -0.79 -1.52 116.42 118.17 2vvm h ASP 146 Ca 0.08 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2vvm h ASP 146 Cb 0.13 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2vvm h ASP 146 CO -0.18 0.13 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.39 2vvm h GLU 147 N 0.41 0.91 0.35 3.56 4.57 -1.00 0.25 114.58 123.62 2vvm h GLU 147 Ca 0.31 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2vvm h GLU 147 Cb 0.38 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2vvm h GLU 147 CO -0.31 0.93 -0.17 1.25 -1.18 0.00 0.00 179.01 179.54 2vvm h LEU 148 N 0.77 -0.40 -0.68 1.64 5.85 -0.77 -0.91 115.31 120.83 2vvm h LEU 148 Ca 0.15 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2vvm h LEU 148 Cb 0.52 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2vvm h LEU 148 CO 0.03 -0.25 0.23 -0.07 -0.34 0.00 0.00 178.44 178.04 2vvm h LEU 149 N -0.51 0.97 -0.50 2.25 -0.00 -1.23 -1.62 115.31 114.67 2vvm h LEU 149 Ca -0.05 -0.19 0.06 0.00 -0.00 0.00 0.00 57.88 57.70 2vvm h LEU 149 Cb 0.39 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 2vvm h LEU 149 CO 0.08 0.90 0.21 -0.09 -0.00 0.00 0.00 178.44 179.54 2vvm h ARG 150 N 0.98 0.40 0.18 1.13 2.43 -0.87 -0.51 114.38 118.11 2vvm h ARG 150 Ca 0.22 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2vvm h ARG 150 Cb 0.27 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2vvm h ARG 150 CO -0.01 0.26 -0.09 1.03 -1.51 0.00 0.00 179.97 179.65 2vvm h SER 151 N 0.41 -0.21 -0.41 -3.80 0.87 -0.89 -0.54 113.55 108.97 2vvm h SER 151 Ca 0.23 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2vvm h SER 151 Cb 0.20 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2vvm h SER 151 CO -0.21 -0.13 0.10 0.00 -0.53 0.00 0.00 176.83 176.06 2vvm h ALA 152 N 0.55 0.55 -0.02 6.23 0.00 -1.12 -2.62 119.26 122.84 2vvm h ALA 152 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2vvm h ALA 152 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2vvm h ALA 152 CO 0.04 0.23 -0.50 -0.07 0.00 0.00 0.00 179.25 178.96 2vvm h LEU 153 N 0.53 0.04 -0.06 0.00 3.38 -1.10 -1.33 115.31 116.77 2vvm h LEU 153 Ca 0.13 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2vvm h LEU 153 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2vvm h LEU 153 CO 0.00 0.53 -0.01 -0.74 0.09 0.00 0.00 178.44 178.32 2vvm h HIS 154 N 0.03 -0.02 -0.56 1.13 2.76 -0.92 -1.28 115.15 116.29 2vvm h HIS 154 Ca -0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2vvm h HIS 154 Cb 0.89 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 2vvm h HIS 154 CO 0.00 -0.02 0.15 0.87 -1.30 0.00 0.00 177.93 177.64 2vvm h LYS 155 N 0.01 0.88 -0.43 5.26 1.57 -1.24 -1.76 116.57 120.87 2vvm h LYS 155 Ca 0.03 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2vvm h LYS 155 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2vvm h LYS 155 CO -0.05 0.82 0.24 0.35 -0.57 0.00 0.00 179.45 180.24 2vvm h PHE 156 N 0.79 0.58 0.00 -1.35 3.57 -1.14 -3.23 116.94 116.16 2vvm h PHE 156 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2vvm h PHE 156 Cb 0.32 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2vvm h PHE 156 CO 0.02 0.43 -0.83 0.25 -2.23 0.00 0.00 178.31 175.94 2vvm n THR 157 N -4.73 0.31 -1.00 4.41 -2.24 -0.49 -4.56 114.28 105.99 2vvm n THR 157 Ca 0.01 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 2vvm n THR 157 Cb 0.07 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.16 2vvm n THR 157 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2vvm n ASN 158 N -2.13 5.87 0.17 3.42 5.15 -0.67 -3.60 115.26 123.47 2vvm n ASN 158 Ca 0.02 -2.43 0.14 0.00 -0.60 0.00 0.00 54.58 51.71 2vvm n ASN 158 Cb 0.45 -1.34 0.46 0.00 -0.53 0.00 0.00 39.78 38.83 2vvm n ASN 158 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2vvm h VAL 159 N 2.47 0.00 0.00 3.44 -1.51 -1.85 -3.31 116.25 115.49 2vvm h VAL 159 Ca 0.40 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2vvm h VAL 159 Cb 0.95 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2vvm h VAL 159 CO 0.79 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.23 2vvm n ASP 160 N -2.59 1.13 0.00 4.19 5.75 -1.26 -4.99 116.55 118.78 2vvm n ASP 160 Ca 0.03 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2vvm n ASP 160 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2vvm n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vvm n GLY 161 N -0.27 2.17 0.80 6.12 0.00 -1.25 -4.82 105.19 107.95 2vvm n GLY 161 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2vvm n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vvm n THR 162 N -2.00 0.75 -3.94 2.61 -2.24 -1.26 -5.00 114.28 103.21 2vvm n THR 162 Ca 0.00 -1.38 -0.31 0.00 -2.27 0.00 0.00 64.05 60.09 2vvm n THR 162 Cb 0.00 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 2vvm n THR 162 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2vvm n ASN 163 N -0.28 -4.41 0.00 3.42 3.02 -1.26 -2.48 115.26 113.27 2vvm n ASN 163 Ca 0.09 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 2vvm n ASN 163 Cb 0.85 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 2vvm n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vvm n GLY 164 N -1.57 0.96 0.25 7.41 0.00 -1.24 -4.83 105.19 106.18 2vvm n GLY 164 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2vvm n GLY 164 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vvm h ARG 165 N 3.44 0.00 0.08 1.61 3.08 -1.74 0.14 114.38 120.99 2vvm h ARG 165 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2vvm h ARG 165 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2vvm h ARG 165 CO 0.00 0.15 -1.26 1.15 -1.07 0.00 0.00 179.97 178.94 2vvm h THR 166 N 0.00 1.07 0.00 2.04 2.02 -1.89 -3.13 112.91 113.03 2vvm h THR 166 Ca -0.00 -2.35 -0.05 0.00 0.77 0.00 0.00 66.41 64.78 2vvm h THR 166 Cb 0.41 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2vvm h THR 166 CO 0.02 0.63 -0.44 1.62 0.37 0.00 0.00 175.52 177.71 2vvm h VAL 167 N -0.49 0.34 -2.02 3.16 3.04 -1.91 -3.38 116.25 114.99 2vvm h VAL 167 Ca -0.29 -1.50 -0.52 0.00 -1.01 0.00 0.00 66.70 63.38 2vvm h VAL 167 Cb 1.61 2.08 -0.40 0.00 -2.01 0.00 0.00 31.29 32.57 2vvm h VAL 167 CO 0.00 0.19 -1.12 -0.11 -1.01 0.00 0.00 177.57 175.52 2vvm n LEU 168 N -3.06 0.79 0.12 3.16 7.94 0.47 -4.38 117.00 122.04 2vvm n LEU 168 Ca 0.02 -4.92 -0.01 0.00 -1.11 0.00 0.00 56.01 49.98 2vvm n LEU 168 Cb 0.63 0.60 0.24 0.00 0.53 0.00 0.00 43.42 45.42 2vvm n LEU 168 CO 0.38 2.20 0.63 1.55 -1.11 0.00 0.00 177.39 181.04 2vvm h PRO 169 N 3.43 0.15 -3.20 1.96 0.13 -1.70 -3.37 132.00 129.41 2vvm h PRO 169 Ca 0.09 -0.08 -0.63 0.00 -0.87 0.00 0.00 66.00 64.52 2vvm h PRO 169 Cb 0.91 -0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.63 2vvm h PRO 169 CO 0.51 0.57 -0.65 -0.06 -0.23 0.00 0.00 178.00 178.13 2vvm s PHE 170 N -4.07 2.94 0.49 1.56 0.08 -1.26 -4.98 117.98 112.74 2vvm s PHE 170 Ca -0.04 -3.02 0.41 0.00 0.12 0.00 0.00 56.93 54.40 2vvm s PHE 170 Cb 0.13 -2.53 2.09 0.00 -0.57 0.00 0.00 43.02 42.14 2vvm s PHE 170 CO 0.76 -0.71 2.25 -1.00 -0.10 0.00 0.00 175.22 176.42 2vvm h PRO 171 N 6.27 0.00 0.00 0.24 0.13 -1.95 0.11 132.00 136.80 2vvm h PRO 171 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2vvm h PRO 171 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2vvm h PRO 171 CO 0.64 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.13 2vvm n HIS 172 N -3.11 0.18 -3.54 1.56 8.25 -1.26 -4.15 115.22 113.16 2vvm n HIS 172 Ca -0.02 0.07 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 2vvm n HIS 172 Cb 0.15 -0.61 -0.11 0.00 1.12 0.00 0.00 29.99 30.53 2vvm n HIS 172 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2vvm s ASP 173 N -3.29 2.59 0.50 0.41 -1.08 0.38 -4.90 116.67 111.30 2vvm s ASP 173 Ca 0.08 -3.00 0.25 0.00 -0.52 0.00 0.00 52.55 49.36 2vvm s ASP 173 Cb 0.11 -0.73 1.35 0.00 -1.46 0.00 0.00 42.92 42.19 2vvm s ASP 173 CO 0.34 -0.19 2.04 0.00 0.52 0.00 0.00 175.17 177.88 2vvm h MET 174 N 5.98 0.00 -0.21 4.34 -0.00 -1.72 -2.05 114.93 121.26 2vvm h MET 174 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 2vvm h MET 174 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.49 2vvm h MET 174 CO 0.43 0.14 0.00 1.19 -0.00 0.00 0.00 176.91 178.67 2vvm n PHE 175 N -3.71 0.27 -0.28 -0.10 3.72 -1.26 -4.29 117.46 111.81 2vvm n PHE 175 Ca -0.02 -0.14 0.06 0.00 -0.05 0.00 0.00 57.45 57.31 2vvm n PHE 175 Cb 0.26 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.01 2vvm n PHE 175 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2vvm h TYR 176 N 2.54 0.69 -3.36 1.38 3.20 -1.70 -3.35 116.97 116.38 2vvm h TYR 176 Ca 0.00 0.03 -0.66 0.00 3.14 0.00 0.00 58.73 61.25 2vvm h TYR 176 Cb 0.56 -0.18 -0.27 0.00 1.54 0.00 0.00 36.73 38.37 2vvm h TYR 176 CO 0.14 0.15 -0.73 0.08 -1.64 0.00 0.00 178.16 176.15 2vvm s VAL 177 N -5.99 3.27 0.43 1.81 1.01 -1.26 -5.03 120.40 114.64 2vvm s VAL 177 Ca -0.12 -0.54 0.15 0.00 0.00 0.00 0.00 61.98 61.47 2vvm s VAL 177 Cb 0.21 -2.46 0.35 0.00 0.00 0.00 0.00 36.38 34.48 2vvm s VAL 177 CO 0.77 0.46 1.94 -0.65 0.00 0.00 0.00 175.10 177.62 2vvm h PRO 178 N 7.72 0.41 0.00 2.72 0.11 -1.89 -2.31 132.00 138.75 2vvm h PRO 178 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2vvm h PRO 178 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2vvm h PRO 178 CO 0.60 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.59 2vvm h GLU 179 N 0.42 0.00 -0.35 1.05 3.07 -1.94 -3.17 114.58 113.66 2vvm h GLU 179 Ca 0.34 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 2vvm h GLU 179 Cb 0.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2vvm h GLU 179 CO -0.10 0.00 -0.40 0.35 -1.40 0.00 0.00 179.01 177.46 2vvm h PHE 180 N 0.00 1.02 -0.87 4.33 3.57 -1.61 -3.26 116.94 120.11 2vvm h PHE 180 Ca 0.00 -0.31 0.17 0.00 3.53 0.00 0.00 57.97 61.36 2vvm h PHE 180 Cb 0.05 -0.21 -0.10 0.00 2.79 0.00 0.00 35.95 38.47 2vvm h PHE 180 CO 0.00 1.11 0.44 -0.09 -2.23 0.00 0.00 178.31 177.54 2vvm h ARG 181 N 0.69 0.56 0.00 1.11 2.43 -1.77 0.36 114.38 117.77 2vvm h ARG 181 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2vvm h ARG 181 Cb 0.98 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2vvm h ARG 181 CO 0.09 0.37 -0.09 1.57 -1.51 0.00 0.00 179.97 180.41 2vvm h LYS 182 N 0.58 0.00 0.11 0.20 2.10 -1.79 -0.35 116.57 117.42 2vvm h LYS 182 Ca 0.50 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.86 2vvm h LYS 182 Cb 0.77 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.12 2vvm h LYS 182 CO -0.40 0.09 -1.21 1.88 -2.00 0.00 0.00 179.45 177.81 2vvm h TYR 183 N 0.00 0.80 -0.75 0.07 0.05 -1.10 -2.57 116.97 113.47 2vvm h TYR 183 Ca -0.00 -0.52 0.09 0.00 0.05 0.00 0.00 58.73 58.35 2vvm h TYR 183 Cb 0.17 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.80 2vvm h TYR 183 CO 0.00 1.37 0.49 0.22 -1.05 0.00 0.00 178.16 179.19 2vvm h ASP 184 N 0.21 0.62 0.24 3.88 3.58 -0.56 0.42 116.42 124.81 2vvm h ASP 184 Ca -0.16 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2vvm h ASP 184 Cb 1.88 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.82 2vvm h ASP 184 CO 0.22 0.38 -0.02 -0.62 -2.88 0.00 0.00 179.24 176.32 2vvm n GLU 185 N -4.49 0.81 -3.78 0.28 1.02 -0.21 -0.56 120.64 113.70 2vvm n GLU 185 Ca 0.12 -0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 2vvm n GLU 185 Cb 0.31 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 2vvm n GLU 185 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2vvm s MET 186 N -2.27 3.57 0.54 3.49 1.75 -0.75 -4.47 119.30 121.17 2vvm s MET 186 Ca 0.38 -0.02 -0.05 0.00 -1.25 0.00 0.00 55.69 54.75 2vvm s MET 186 Cb 0.21 -3.16 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 2vvm s MET 186 CO 0.42 0.72 0.83 -1.54 -0.65 0.00 0.00 175.02 174.80 2vvm s SER 187 N -1.26 5.85 0.22 1.11 1.04 -1.26 -0.52 113.70 118.88 2vvm s SER 187 Ca 0.20 0.74 -0.09 0.00 0.48 0.00 0.00 55.95 57.29 2vvm s SER 187 Cb -0.13 -1.87 0.35 0.00 0.10 0.00 0.00 66.02 64.46 2vvm s SER 187 CO 0.10 -0.85 1.69 1.88 0.98 0.00 0.00 173.24 177.03 2vvm h TYR 188 N 0.03 0.18 -0.73 5.02 -1.99 -0.84 -1.83 116.97 116.80 2vvm h TYR 188 Ca -0.46 0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.26 2vvm h TYR 188 Cb 1.24 0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.96 2vvm h TYR 188 CO 0.51 -0.07 0.26 0.66 -0.00 0.00 0.00 178.16 179.52 2vvm h SER 189 N 0.24 1.03 -0.59 3.88 4.64 -1.34 -0.78 113.55 120.63 2vvm h SER 189 Ca 0.35 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 2vvm h SER 189 Cb 0.55 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2vvm h SER 189 CO -0.46 0.93 0.04 -0.33 -0.87 0.00 0.00 176.83 176.14 2vvm h GLU 190 N 1.07 1.03 -0.18 4.77 5.08 -1.71 -1.35 114.58 123.29 2vvm h GLU 190 Ca 0.24 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2vvm h GLU 190 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2vvm h GLU 190 CO -0.01 0.99 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.83 2vvm h ARG 191 N 0.96 0.37 -0.84 2.33 9.65 -1.01 -3.07 114.38 122.75 2vvm h ARG 191 Ca 0.18 -0.15 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2vvm h ARG 191 Cb 0.49 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 2vvm h ARG 191 CO 0.02 0.65 0.55 0.82 2.80 0.00 0.00 179.97 184.81 2vvm h ILE 192 N 0.07 1.14 -0.58 1.20 2.04 -1.08 -1.73 117.51 118.56 2vvm h ILE 192 Ca 0.04 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.62 2vvm h ILE 192 Cb 0.52 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2vvm h ILE 192 CO 0.02 0.19 0.39 -0.78 0.00 0.00 0.00 178.15 177.97 2vvm h ASP 193 N 1.04 0.45 1.18 1.72 3.58 -1.17 0.27 116.42 123.49 2vvm h ASP 193 Ca 0.34 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.79 2vvm h ASP 193 Cb 0.04 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 2vvm h ASP 193 CO -0.10 0.29 -0.00 1.56 -2.88 0.00 0.00 179.24 178.11 2vvm h GLN 194 N 0.52 0.00 0.00 0.28 4.20 -1.22 -3.29 115.11 115.59 2vvm h GLN 194 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2vvm h GLN 194 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2vvm h GLN 194 CO -0.07 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.53 2vvm n ILE 195 N -3.10 0.57 -0.29 2.54 -5.35 -0.49 -4.88 119.36 108.36 2vvm n ILE 195 Ca 0.01 -0.65 0.06 0.00 -0.27 0.00 0.00 62.75 61.89 2vvm n ILE 195 Cb 0.34 0.77 0.21 0.00 -1.74 0.00 0.00 39.64 39.22 2vvm n ILE 195 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2vvm h ARG 196 N 0.00 0.64 0.00 6.28 0.11 -0.60 -0.15 114.38 120.67 2vvm h ARG 196 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2vvm h ARG 196 Cb 0.53 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2vvm h ARG 196 CO 0.00 0.43 0.00 -0.25 0.10 0.00 0.00 179.97 180.25 2vvm n ASP 197 N -4.84 0.00 -0.28 0.08 8.00 -1.26 -2.50 116.55 115.75 2vvm n ASP 197 Ca 0.16 0.37 0.11 0.00 0.71 0.00 0.00 54.79 56.14 2vvm n ASP 197 Cb 0.39 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 41.07 2vvm n ASP 197 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vvm n GLU 198 N -1.44 0.72 -4.22 -1.24 1.02 -0.07 -4.92 120.64 110.48 2vvm n GLU 198 Ca 0.05 -0.57 -0.34 0.00 -0.02 0.00 0.00 57.16 56.28 2vvm n GLU 198 Cb 0.18 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 2vvm n GLU 198 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vvm s LEU 199 N -2.68 3.28 0.96 -4.62 1.43 -1.04 -5.09 118.68 110.91 2vvm s LEU 199 Ca 0.15 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 2vvm s LEU 199 Cb 0.18 -1.81 0.16 0.00 0.03 0.00 0.00 46.19 44.75 2vvm s LEU 199 CO 0.67 0.12 1.09 -0.94 0.23 0.00 0.00 176.35 177.51 2vvm s SER 200 N 0.67 2.82 0.23 2.29 1.04 -1.26 -4.76 113.70 114.74 2vvm s SER 200 Ca -0.01 1.66 -0.06 0.00 0.48 0.00 0.00 55.95 58.02 2vvm s SER 200 Cb -0.14 -2.30 0.33 0.00 0.10 0.00 0.00 66.02 64.01 2vvm s SER 200 CO 0.02 -3.08 1.82 0.25 0.98 0.00 0.00 173.24 173.23 2vvm h LEU 201 N -1.85 0.66 -0.55 2.42 5.85 -1.98 0.18 115.31 120.03 2vvm h LEU 201 Ca -0.51 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 2vvm h LEU 201 Cb 1.29 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2vvm h LEU 201 CO 0.51 0.40 -0.06 0.78 -0.34 0.00 0.00 178.44 179.72 2vvm h ASN 202 N 0.78 1.01 0.10 1.25 2.35 -1.99 0.59 115.58 119.68 2vvm h ASN 202 Ca 0.36 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2vvm h ASN 202 Cb 0.27 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2vvm h ASN 202 CO -0.21 1.10 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.29 2vvm h GLU 203 N 0.89 -0.14 -0.52 0.81 5.08 -1.82 -2.06 114.58 116.83 2vvm h GLU 203 Ca 0.15 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2vvm h GLU 203 Cb 0.62 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2vvm h GLU 203 CO 0.04 0.02 -0.12 -0.09 -1.00 0.00 0.00 179.01 177.86 2vvm h ARG 204 N -0.26 0.99 -0.05 2.33 2.43 -0.89 -0.22 114.38 118.70 2vvm h ARG 204 Ca -0.01 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2vvm h ARG 204 Cb 0.22 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2vvm h ARG 204 CO 0.02 1.04 0.01 0.77 -1.51 0.00 0.00 179.97 180.31 2vvm h SER 205 N 0.88 0.08 -0.32 -3.80 0.02 -0.90 0.29 113.55 109.81 2vvm h SER 205 Ca 0.13 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2vvm h SER 205 Cb 0.68 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2vvm h SER 205 CO 0.05 0.30 -0.16 0.77 -1.14 0.00 0.00 176.83 176.65 2vvm h SER 206 N -0.14 0.77 0.40 3.07 4.64 -1.36 -1.79 113.55 119.15 2vvm h SER 206 Ca 0.02 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2vvm h SER 206 Cb 0.25 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2vvm h SER 206 CO 0.00 0.94 -0.19 0.25 -0.87 0.00 0.00 176.83 176.95 2vvm h LEU 207 N 0.69 -0.46 -0.68 5.97 5.85 -0.90 -0.91 115.31 124.87 2vvm h LEU 207 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2vvm h LEU 207 Cb 0.65 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2vvm h LEU 207 CO 0.05 -0.30 0.40 -0.33 -0.34 0.00 0.00 178.44 177.92 2vvm h GLU 208 N -0.58 0.93 -0.27 1.25 5.08 -0.90 -0.37 114.58 119.72 2vvm h GLU 208 Ca -0.06 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2vvm h GLU 208 Cb 0.44 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2vvm h GLU 208 CO 0.09 0.67 -0.07 0.00 -1.00 0.00 0.00 179.01 178.70 2vvm h ALA 209 N 1.21 0.17 -0.09 3.43 0.00 -1.28 -0.88 119.26 121.82 2vvm h ALA 209 Ca 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2vvm h ALA 209 Cb -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2vvm h ALA 209 CO -0.04 -0.47 0.04 0.35 0.00 0.00 0.00 179.25 179.12 2vvm h PHE 210 N -0.01 0.14 -0.12 0.00 3.57 -0.61 0.11 116.94 120.02 2vvm h PHE 210 Ca 0.13 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 2vvm h PHE 210 Cb 0.20 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2vvm h PHE 210 CO -0.27 0.25 -0.36 -0.84 -2.23 0.00 0.00 178.31 174.86 2vvm h ILE 211 N -0.01 1.29 0.00 1.41 3.07 -1.04 -2.30 117.51 119.92 2vvm h ILE 211 Ca 0.03 -1.39 -0.14 0.00 1.55 0.00 0.00 64.86 64.91 2vvm h ILE 211 Cb 0.17 1.60 -0.02 0.00 -0.27 0.00 0.00 36.82 38.30 2vvm h ILE 211 CO -0.00 0.42 -0.69 -0.07 -1.05 0.00 0.00 178.15 176.75 2vvm h LEU 212 N 0.20 0.00 -0.44 0.16 3.38 -1.06 -1.12 115.31 116.43 2vvm h LEU 212 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2vvm h LEU 212 Cb 0.74 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2vvm h LEU 212 CO 0.06 0.69 0.12 0.25 0.09 0.00 0.00 178.44 179.65 2vvm h LEU 213 N 0.00 0.08 -0.48 1.67 5.85 -0.40 0.15 115.31 122.20 2vvm h LEU 213 Ca -0.01 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 2vvm h LEU 213 Cb 1.37 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2vvm h LEU 213 CO 0.09 0.08 -0.31 0.00 -0.34 0.00 0.00 178.44 177.96 2vvm h SER 215 N 0.77 0.00 0.00 0.00 4.64 -1.11 -3.48 113.55 114.37 2vvm h SER 215 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2vvm h SER 215 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2vvm h SER 215 CO 0.08 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2vvm n GLY 216 N 1.38 0.07 0.00 -0.77 0.00 0.53 -3.43 105.19 102.97 2vvm n GLY 216 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2vvm n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvm n GLY 217 N 0.21 3.58 3.63 -0.02 0.00 -1.24 -1.65 105.19 109.70 2vvm n GLY 217 Ca 0.00 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 2vvm n GLY 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vvm s THR 218 N 3.81 2.44 0.40 2.61 -4.23 -1.26 -1.72 115.64 117.68 2vvm s THR 218 Ca 0.00 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.63 2vvm s THR 218 Cb 0.00 -2.84 0.20 0.00 1.34 0.00 0.00 72.50 71.20 2vvm s THR 218 CO 0.00 -0.14 1.97 -0.07 -0.54 0.00 0.00 174.62 175.84 2vvm h LEU 219 N 1.77 0.32 0.00 4.79 3.38 -1.98 -2.57 115.31 121.02 2vvm h LEU 219 Ca -0.43 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.31 2vvm h LEU 219 Cb 1.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2vvm h LEU 219 CO 0.70 0.37 -0.91 -0.33 0.09 0.00 0.00 178.44 178.35 2vvm h GLU 220 N 0.34 0.00 -0.12 1.13 3.07 -1.95 -0.20 114.58 116.85 2vvm h GLU 220 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2vvm h GLU 220 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2vvm h GLU 220 CO 0.00 0.82 0.00 0.27 -1.40 0.00 0.00 179.01 178.70 2vvm n ASN 221 N -3.29 2.77 -4.67 1.42 0.23 -1.11 -4.81 115.26 105.81 2vvm n ASN 221 Ca -0.01 -1.84 -0.35 0.00 -0.53 0.00 0.00 54.58 51.86 2vvm n ASN 221 Cb 0.89 -0.07 -0.09 0.00 -2.08 0.00 0.00 39.78 38.43 2vvm n ASN 221 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2vvm s SER 222 N -1.51 5.85 -0.11 0.53 0.01 -0.99 -3.98 113.70 113.50 2vvm s SER 222 Ca 0.25 0.13 -0.29 0.00 1.31 0.00 0.00 55.95 57.35 2vvm s SER 222 Cb 0.17 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 2vvm s SER 222 CO 0.25 0.17 1.48 -0.55 0.41 0.00 0.00 173.24 175.00 2vvm s SER 223 N 0.39 6.78 0.18 2.44 0.15 -0.40 -1.08 113.70 122.16 2vvm s SER 223 Ca 0.05 1.97 -0.13 0.00 0.70 0.00 0.00 55.95 58.54 2vvm s SER 223 Cb -0.12 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.81 2vvm s SER 223 CO -0.01 -0.87 1.77 0.15 1.20 0.00 0.00 173.24 175.49 2vvm h PHE 224 N 9.00 0.40 -0.61 3.44 3.57 -0.96 -2.78 116.94 129.00 2vvm h PHE 224 Ca -0.33 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.21 2vvm h PHE 224 Cb 1.14 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 2vvm h PHE 224 CO 0.85 0.17 0.40 0.78 -2.23 0.00 0.00 178.31 178.28 2vvm h GLY 225 N 0.43 0.83 1.09 2.40 0.00 -1.11 -1.02 103.07 105.68 2vvm h GLY 225 Ca 0.23 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2vvm h GLY 225 CO -0.20 0.28 0.10 -2.09 0.00 0.00 0.00 176.54 174.63 2vvm h GLU 226 N 0.76 1.11 -0.48 4.80 4.57 -1.78 0.20 114.58 123.77 2vvm h GLU 226 Ca 0.23 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2vvm h GLU 226 Cb 0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 2vvm h GLU 226 CO -0.06 1.02 0.23 0.35 -1.18 0.00 0.00 179.01 179.37 2vvm h PHE 227 N 1.04 0.70 -0.60 0.92 3.57 -1.11 -1.90 116.94 119.56 2vvm h PHE 227 Ca 0.20 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.76 2vvm h PHE 227 Cb 0.45 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2vvm h PHE 227 CO 0.03 0.56 0.40 1.25 -2.23 0.00 0.00 178.31 178.32 2vvm h LEU 228 N 0.64 0.40 0.12 0.59 5.85 -0.81 0.36 115.31 122.46 2vvm h LEU 228 Ca 0.17 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2vvm h LEU 228 Cb 0.12 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2vvm h LEU 228 CO -0.02 0.25 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.53 2vvm h HIS 229 N 0.45 -0.15 -0.30 1.25 2.76 -0.36 0.49 115.15 119.30 2vvm h HIS 229 Ca 0.28 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.50 2vvm h HIS 229 Cb 0.49 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 2vvm h HIS 229 CO -0.00 0.04 -0.09 -1.49 -1.30 0.00 0.00 177.93 175.09 2vvm h TRP 230 N -0.32 -0.21 -0.39 5.26 4.06 -0.67 -0.90 115.95 122.77 2vvm h TRP 230 Ca -0.02 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.04 2vvm h TRP 230 Cb 0.26 0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 28.50 2vvm h TRP 230 CO -0.02 -0.15 -0.03 2.35 -3.56 0.00 0.00 178.44 177.03 2vvm h TRP 231 N -0.03 -0.08 -0.27 0.49 2.91 -0.82 -1.48 115.95 116.68 2vvm h TRP 231 Ca 0.15 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 2vvm h TRP 231 Cb 0.25 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 2vvm h TRP 231 CO -0.30 -0.11 0.14 0.00 -1.03 0.00 0.00 178.44 177.14 2vvm h ALA 232 N 1.36 0.34 -0.61 2.65 0.00 -0.59 0.51 119.26 122.93 2vvm h ALA 232 Ca 0.19 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2vvm h ALA 232 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2vvm h ALA 232 CO -0.35 -0.11 0.40 0.52 0.00 0.00 0.00 179.25 179.71 2vvm h MET 233 N 0.31 0.68 0.00 0.00 2.86 -0.79 -1.89 114.93 116.10 2vvm h MET 233 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2vvm h MET 233 Cb 0.09 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2vvm h MET 233 CO -0.01 0.45 0.00 0.43 1.06 0.00 0.00 176.91 178.84 2vvm n SER 234 N -4.47 0.00 0.00 1.22 7.64 -0.59 -4.90 113.62 112.53 2vvm n SER 234 Ca 0.07 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2vvm n SER 234 Cb 0.14 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2vvm n SER 234 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vvm n GLY 235 N 1.25 1.15 2.56 0.23 0.00 -0.71 -4.12 105.19 105.54 2vvm n GLY 235 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2vvm n GLY 235 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vvm n TYR 236 N -1.59 -1.23 -3.95 1.61 4.01 0.14 -4.94 117.16 111.21 2vvm n TYR 236 Ca 0.00 0.16 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 2vvm n TYR 236 Cb 0.00 -3.96 -0.09 0.00 -0.31 0.00 0.00 39.34 34.98 2vvm n TYR 236 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2vvm s THR 237 N -3.03 0.15 0.16 -0.72 -4.23 -1.26 -4.98 115.64 101.73 2vvm s THR 237 Ca 0.09 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.19 2vvm s THR 237 Cb -0.04 -1.12 0.05 0.00 1.34 0.00 0.00 72.50 72.73 2vvm s THR 237 CO 0.11 -0.70 1.72 0.22 -0.54 0.00 0.00 174.62 175.43 2vvm h TYR 238 N 3.38 0.79 -0.61 3.99 3.20 -1.94 -1.90 116.97 123.89 2vvm h TYR 238 Ca -0.33 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.41 2vvm h TYR 238 Cb 1.18 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2vvm h TYR 238 CO 0.52 0.65 0.07 0.37 -1.64 0.00 0.00 178.16 178.13 2vvm h GLN 239 N 0.71 1.01 -0.53 1.82 5.75 -1.97 -0.65 115.11 121.25 2vvm h GLN 239 Ca 0.18 -0.27 0.06 0.00 -0.15 0.00 0.00 58.65 58.46 2vvm h GLN 239 Cb 0.18 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 2vvm h GLN 239 CO -0.02 0.94 0.25 0.78 -2.65 0.00 0.00 178.83 178.14 2vvm h GLY 240 N 1.03 0.75 0.74 2.39 0.00 -1.72 0.00 103.07 106.25 2vvm h GLY 240 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2vvm h GLY 240 CO 0.01 0.08 -0.23 0.00 0.00 0.00 0.00 176.54 176.41 2vvm h MET 242 N -0.50 1.00 -0.42 0.00 2.07 -0.86 0.23 114.93 116.44 2vvm h MET 242 Ca -0.01 -0.06 0.03 0.00 -2.07 0.00 0.00 59.70 57.60 2vvm h MET 242 Cb 0.46 -0.22 -0.04 0.00 -1.87 0.00 0.00 31.60 29.93 2vvm h MET 242 CO -0.05 0.66 0.21 -0.44 1.07 0.00 0.00 176.91 178.36 2vvm h ASP 243 N 1.03 0.30 0.79 1.22 5.19 -0.88 -2.48 116.42 121.59 2vvm h ASP 243 Ca 0.31 0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.50 2vvm h ASP 243 Cb -0.03 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2vvm h ASP 243 CO -0.10 0.22 -1.17 0.00 -3.12 0.00 0.00 179.24 175.06 2vvm n LEU 245 N -3.40 0.39 -0.62 0.00 4.77 0.74 -4.44 117.00 114.43 2vvm n LEU 245 Ca -0.05 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2vvm n LEU 245 Cb 0.99 0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 42.34 2vvm n LEU 245 CO 0.50 0.33 0.24 0.80 -1.33 0.00 0.00 177.39 177.93 2vvm n MET 246 N -2.79 0.00 -0.13 3.23 1.56 -0.94 -4.63 117.12 113.43 2vvm n MET 246 Ca -0.21 -0.65 -0.21 0.00 -0.27 0.00 0.00 57.70 56.37 2vvm n MET 246 Cb 0.99 -0.16 -0.10 0.00 2.15 0.00 0.00 33.22 36.10 2vvm n MET 246 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2vvm n SER 247 N 0.04 2.00 -4.04 6.12 7.64 -1.16 -4.66 113.62 119.56 2vvm n SER 247 Ca -0.02 0.05 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 2vvm n SER 247 Cb 0.65 -0.53 -0.17 0.00 -1.01 0.00 0.00 64.21 63.15 2vvm n SER 247 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2vvm s TYR 248 N -2.48 1.70 0.31 1.43 2.02 -1.26 -0.74 117.35 118.34 2vvm s TYR 248 Ca -0.34 -0.71 0.06 0.00 -0.37 0.00 0.00 57.07 55.71 2vvm s TYR 248 Cb 0.11 -1.24 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 2vvm s TYR 248 CO 0.52 -0.37 -0.02 -1.59 -1.57 0.00 0.00 175.55 172.52 2vvm s LYS 249 N 0.82 1.66 0.04 -0.62 -2.85 -0.55 -1.57 119.74 116.68 2vvm s LYS 249 Ca -0.11 -1.88 -0.30 0.00 -1.00 0.00 0.00 55.97 52.68 2vvm s LYS 249 Cb -0.15 -1.20 -0.05 0.00 -2.06 0.00 0.00 37.83 34.37 2vvm s LYS 249 CO 0.02 -0.02 1.19 -0.06 0.10 0.00 0.00 175.35 176.58 2vvm s PHE 250 N -3.01 3.41 0.29 1.78 0.08 -1.26 -0.21 117.98 119.06 2vvm s PHE 250 Ca 0.32 1.30 0.03 0.00 0.12 0.00 0.00 56.93 58.71 2vvm s PHE 250 Cb 0.06 -3.41 0.66 0.00 -0.57 0.00 0.00 43.02 39.75 2vvm s PHE 250 CO 0.14 -1.25 1.78 0.87 -0.10 0.00 0.00 175.22 176.66 2vvm h LYS 251 N 6.90 0.72 -0.64 0.44 1.57 -1.25 -2.29 116.57 122.02 2vvm h LYS 251 Ca -0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2vvm h LYS 251 Cb 1.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2vvm h LYS 251 CO 0.82 0.48 0.00 -0.25 -0.57 0.00 0.00 179.45 179.93 2vvm n ASP 252 N -4.78 3.66 0.00 0.86 8.00 -1.26 -4.78 116.55 118.24 2vvm n ASP 252 Ca 0.21 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.72 2vvm n ASP 252 Cb 0.51 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2vvm n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vvm n GLY 253 N 1.59 -2.07 0.32 0.44 0.00 -0.86 -4.26 105.19 100.34 2vvm n GLY 253 Ca 0.23 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.90 2vvm n GLY 253 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vvm h GLN 254 N 0.00 0.33 -0.02 1.61 1.08 -1.90 -2.20 115.11 114.01 2vvm h GLN 254 Ca 0.00 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2vvm h GLN 254 Cb 0.00 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2vvm h GLN 254 CO 0.00 0.22 -0.11 0.77 -0.95 0.00 0.00 178.83 178.76 2vvm h SER 255 N 0.34 0.03 -0.29 1.46 0.02 -1.84 -0.54 113.55 112.73 2vvm h SER 255 Ca 0.17 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2vvm h SER 255 Cb 0.25 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2vvm h SER 255 CO -0.04 0.15 -0.07 0.00 -1.14 0.00 0.00 176.83 175.73 2vvm h ALA 256 N 1.86 1.13 0.07 3.77 0.00 -1.57 -0.88 119.26 123.63 2vvm h ALA 256 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2vvm h ALA 256 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vvm h ALA 256 CO 0.01 0.55 -0.03 0.35 0.00 0.00 0.00 179.25 180.13 2vvm h PHE 257 N 0.62 -0.08 -1.00 0.00 3.57 -1.31 -3.17 116.94 115.57 2vvm h PHE 257 Ca 0.12 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.75 2vvm h PHE 257 Cb 0.50 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 2vvm h PHE 257 CO 0.02 0.32 0.63 0.00 -2.23 0.00 0.00 178.31 177.05 2vvm h ALA 258 N 0.38 1.54 -0.50 2.41 0.00 -1.05 -1.60 119.26 120.44 2vvm h ALA 258 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2vvm h ALA 258 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2vvm h ALA 258 CO 0.02 0.19 0.34 0.00 0.00 0.00 0.00 179.25 179.79 2vvm h ARG 259 N 0.96 0.33 -0.56 0.00 2.47 -1.14 -2.40 114.38 114.04 2vvm h ARG 259 Ca 0.51 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.19 2vvm h ARG 259 Cb 0.55 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.77 2vvm h ARG 259 CO -0.28 0.22 0.27 0.00 0.56 0.00 0.00 179.97 180.73 2vvm h ARG 260 N 0.34 0.81 -0.32 0.04 2.47 -1.26 0.94 114.38 117.38 2vvm h ARG 260 Ca 0.22 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2vvm h ARG 260 Cb 0.45 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 2vvm h ARG 260 CO -0.05 0.66 0.19 0.74 0.56 0.00 0.00 179.97 182.07 2vvm h PHE 261 N 0.75 0.43 0.03 3.04 0.04 -1.50 -2.10 116.94 117.63 2vvm h PHE 261 Ca 0.19 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.97 2vvm h PHE 261 Cb 0.12 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2vvm h PHE 261 CO -0.00 0.33 -0.07 2.35 -0.60 0.00 0.00 178.31 180.32 2vvm h TRP 262 N 0.41 -0.17 -0.78 -0.55 2.91 -1.11 -1.72 115.95 114.94 2vvm h TRP 262 Ca 0.12 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 2vvm h TRP 262 Cb 0.03 0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 2vvm h TRP 262 CO -0.04 -0.11 0.32 0.93 -1.03 0.00 0.00 178.44 178.52 2vvm h GLU 263 N -0.13 1.15 -0.37 2.65 5.08 -0.80 0.09 114.58 122.26 2vvm h GLU 263 Ca 0.02 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2vvm h GLU 263 Cb 0.15 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2vvm h GLU 263 CO -0.05 0.93 0.06 1.49 -1.00 0.00 0.00 179.01 180.44 2vvm h GLU 264 N 1.13 0.61 -0.28 2.33 4.81 -1.24 -0.74 114.58 121.19 2vvm h GLU 264 Ca 0.26 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2vvm h GLU 264 Cb 0.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2vvm h GLU 264 CO -0.02 0.67 0.10 0.00 -0.73 0.00 0.00 179.01 179.03 2vvm h ALA 265 N 0.91 0.37 -0.85 2.92 0.00 -1.06 -3.01 119.26 118.54 2vvm h ALA 265 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2vvm h ALA 265 Cb 0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2vvm h ALA 265 CO 0.01 -0.02 0.45 0.00 0.00 0.00 0.00 179.25 179.69 2vvm h ALA 266 N 0.94 1.18 0.00 0.00 0.00 -0.95 -2.89 119.26 117.55 2vvm h ALA 266 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vvm h ALA 266 Cb 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vvm h ALA 266 CO -0.01 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2vvm n GLY 267 N -1.11 -1.04 0.24 0.00 0.00 -0.29 -2.27 105.19 100.73 2vvm n GLY 267 Ca 0.09 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2vvm n GLY 267 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2vvm h THR 268 N 0.00 0.14 0.00 2.61 1.35 -1.45 -3.47 112.91 112.09 2vvm h THR 268 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2vvm h THR 268 Cb 0.23 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2vvm h THR 268 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2vvm n GLY 269 N 0.49 0.56 0.49 5.82 0.00 -0.96 -4.89 105.19 106.70 2vvm n GLY 269 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2vvm n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvm n ARG 270 N -2.43 2.87 -3.60 1.61 1.74 -1.26 -4.97 116.66 110.61 2vvm n ARG 270 Ca 0.00 -1.99 -0.38 0.00 -0.77 0.00 0.00 57.85 54.71 2vvm n ARG 270 Cb 0.04 -1.25 -0.11 0.00 -1.02 0.00 0.00 32.46 30.12 2vvm n ARG 270 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2vvm s LEU 271 N -1.19 4.03 0.07 0.55 2.96 -1.26 -1.41 118.68 122.43 2vvm s LEU 271 Ca 0.19 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2vvm s LEU 271 Cb 0.11 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2vvm s LEU 271 CO 0.11 -0.03 0.09 -0.83 -1.32 0.00 0.00 176.35 174.36 2vvm s GLY 272 N 1.67 2.03 -0.02 7.98 0.00 0.33 -4.99 107.32 114.32 2vvm s GLY 272 Ca 0.07 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 2vvm s GLY 272 CO 0.10 -0.97 0.44 -2.52 0.00 0.00 0.00 173.10 170.16 2vvm s TYR 273 N -1.38 -0.35 -0.05 1.90 -0.85 -1.26 -0.28 117.35 115.08 2vvm s TYR 273 Ca 0.29 0.54 -0.02 0.00 -0.52 0.00 0.00 57.07 57.36 2vvm s TYR 273 Cb -0.12 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.46 2vvm s TYR 273 CO 0.22 -0.48 0.05 0.08 -1.52 0.00 0.00 175.55 173.89 2vvm s VAL 274 N -1.42 -0.01 0.40 -3.49 1.01 -0.34 -2.80 120.40 113.74 2vvm s VAL 274 Ca -0.12 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.25 2vvm s VAL 274 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.10 2vvm s VAL 274 CO 0.05 0.17 0.57 -0.36 0.00 0.00 0.00 175.10 175.53 2vvm s PHE 275 N 2.13 3.04 -1.56 5.22 0.08 0.63 -1.32 117.98 126.21 2vvm s PHE 275 Ca 0.05 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 2vvm s PHE 275 Cb -0.12 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 2vvm s PHE 275 CO -0.04 -0.27 0.15 0.41 -0.10 0.00 0.00 175.22 175.37 2vvm n GLY 276 N -1.86 -0.41 2.56 4.36 0.00 -0.24 -4.88 105.19 104.72 2vvm n GLY 276 Ca 0.03 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2vvm n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvm s PRO 278 N -1.62 4.38 0.15 0.00 0.04 -1.26 -3.66 135.00 133.03 2vvm s PRO 278 Ca 0.33 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 2vvm s PRO 278 Cb 0.07 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 2vvm s PRO 278 CO -0.11 -0.29 0.74 0.08 0.04 0.00 0.00 177.00 177.46 2vvm s VAL 279 N 0.40 4.43 -0.06 -0.36 1.01 -1.26 -0.98 120.40 123.58 2vvm s VAL 279 Ca 0.59 1.61 0.10 0.00 0.00 0.00 0.00 61.98 64.28 2vvm s VAL 279 Cb -0.36 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 2vvm s VAL 279 CO 0.36 0.52 0.14 -2.11 0.00 0.00 0.00 175.10 174.01 2vvm n ARG 280 N 1.60 1.36 -3.66 2.72 1.85 0.42 -4.73 116.66 116.22 2vvm n ARG 280 Ca -0.06 -0.05 -0.15 0.00 -1.00 0.00 0.00 57.85 56.58 2vvm n ARG 280 Cb 0.49 -1.27 -0.08 0.00 -1.05 0.00 0.00 32.46 30.56 2vvm n ARG 280 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2vvm s SER 281 N -3.81 -0.41 -0.13 2.89 1.04 -0.96 -1.49 113.70 110.83 2vvm s SER 281 Ca -0.05 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 2vvm s SER 281 Cb 0.05 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2vvm s SER 281 CO 0.45 -0.48 -0.06 -0.69 0.98 0.00 0.00 173.24 173.43 2vvm s VAL 282 N -1.10 1.00 -0.16 5.02 1.01 -0.57 -1.28 120.40 124.32 2vvm s VAL 282 Ca -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2vvm s VAL 282 Cb -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2vvm s VAL 282 CO 0.06 0.29 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 2vvm s VAL 283 N 1.71 1.95 -0.16 2.92 1.01 0.46 -2.25 120.40 126.03 2vvm s VAL 283 Ca 0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2vvm s VAL 283 Cb -0.13 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2vvm s VAL 283 CO -0.08 0.52 1.35 0.20 0.00 0.00 0.00 175.10 177.10 2vvm s ASN 284 N 1.15 6.84 0.55 3.32 0.02 0.32 -0.21 114.94 126.92 2vvm s ASN 284 Ca 0.00 1.73 0.05 0.00 -1.02 0.00 0.00 52.86 53.62 2vvm s ASN 284 Cb -0.14 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.65 2vvm s ASN 284 CO -0.08 -0.85 0.43 -0.62 0.02 0.00 0.00 177.10 175.99 2vvm n GLU 285 N 6.83 0.67 0.24 -0.60 1.02 0.13 -4.77 120.64 124.16 2vvm n GLU 285 Ca 0.15 -3.44 -0.18 0.00 -0.02 0.00 0.00 57.16 53.68 2vvm n GLU 285 Cb 0.45 0.35 -0.10 0.00 -0.02 0.00 0.00 31.44 32.11 2vvm n GLU 285 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2vvm h ARG 286 N 0.00 -0.90 -0.17 3.49 9.65 -2.02 -3.23 114.38 121.19 2vvm h ARG 286 Ca -0.35 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2vvm h ARG 286 Cb 1.28 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 2vvm h ARG 286 CO 0.54 -0.60 0.00 -0.25 2.80 0.00 0.00 179.97 182.46 2vvm n ASP 287 N -5.54 2.58 -3.61 -3.80 8.00 -1.26 -5.04 116.55 107.88 2vvm n ASP 287 Ca -0.11 -1.75 -0.07 0.00 0.71 0.00 0.00 54.79 53.57 2vvm n ASP 287 Cb 0.45 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 2vvm n ASP 287 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vvm s ALA 288 N -1.15 -1.10 -0.01 2.24 0.00 -1.22 -4.71 121.76 115.80 2vvm s ALA 288 Ca 0.22 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2vvm s ALA 288 Cb 0.14 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 2vvm s ALA 288 CO 0.19 -1.03 -0.14 0.00 0.00 0.00 0.00 175.76 174.79 2vvm s ALA 289 N -3.48 2.72 -0.20 0.00 0.00 0.17 0.18 121.76 121.16 2vvm s ALA 289 Ca 0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2vvm s ALA 289 Cb -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2vvm s ALA 289 CO 0.08 0.57 -0.03 0.50 0.00 0.00 0.00 175.76 176.89 2vvm s ARG 290 N -1.08 3.52 -0.19 0.00 3.52 0.70 -2.30 118.95 123.13 2vvm s ARG 290 Ca 0.14 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 2vvm s ARG 290 Cb -0.11 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2vvm s ARG 290 CO 0.03 -0.02 -0.04 0.08 -0.81 0.00 0.00 175.30 174.54 2vvm s VAL 291 N 1.06 3.59 -0.13 7.11 1.01 0.24 -0.40 120.40 132.87 2vvm s VAL 291 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2vvm s VAL 291 Cb -0.15 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 2vvm s VAL 291 CO 0.01 0.45 -0.18 -0.89 0.00 0.00 0.00 175.10 174.49 2vvm s THR 292 N 0.97 2.54 0.87 3.92 2.01 -0.40 -0.47 115.64 125.07 2vvm s THR 292 Ca 0.00 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 2vvm s THR 292 Cb -0.15 -2.04 0.11 0.00 0.01 0.00 0.00 72.50 70.44 2vvm s THR 292 CO 0.01 0.53 1.13 0.00 -0.69 0.00 0.00 174.62 175.60 2vvm s ALA 293 N 0.54 2.00 0.32 7.40 0.00 -0.08 -0.44 121.76 131.50 2vvm s ALA 293 Ca -0.11 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2vvm s ALA 293 Cb -0.16 -3.05 0.57 0.00 0.00 0.00 0.00 23.12 20.48 2vvm s ALA 293 CO 0.04 -2.06 1.93 0.00 0.00 0.00 0.00 175.76 175.67 2vvm h ARG 294 N -1.34 0.94 -0.13 0.00 3.08 -1.35 -1.85 114.38 113.74 2vvm h ARG 294 Ca -0.49 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2vvm h ARG 294 Cb 1.31 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2vvm h ARG 294 CO 0.62 0.62 0.00 -0.40 -1.07 0.00 0.00 179.97 179.74 2vvm n ASP 295 N -4.47 0.82 0.00 7.04 5.68 -1.26 -4.91 116.55 119.45 2vvm n ASP 295 Ca 0.12 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 2vvm n ASP 295 Cb 0.17 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2vvm n ASP 295 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vvm n GLY 296 N 0.84 1.10 3.70 6.12 0.00 -0.69 -5.05 105.19 111.21 2vvm n GLY 296 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 2vvm n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvm n ARG 297 N -2.00 2.32 -4.77 1.61 1.74 -1.26 -4.70 116.66 109.60 2vvm n ARG 297 Ca 0.00 0.83 -0.33 0.00 -0.77 0.00 0.00 57.85 57.58 2vvm n ARG 297 Cb 0.00 -2.56 -0.12 0.00 -1.02 0.00 0.00 32.46 28.76 2vvm n ARG 297 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2vvm s GLU 298 N -0.10 2.64 -0.00 5.56 2.02 -1.26 -0.90 118.70 126.66 2vvm s GLU 298 Ca 0.69 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 55.08 2vvm s GLU 298 Cb -0.59 -2.48 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 2vvm s GLU 298 CO 0.46 0.62 -0.10 -0.06 0.02 0.00 0.00 175.26 176.20 2vvm s PHE 299 N -0.72 0.88 -0.02 1.61 0.08 0.38 -4.99 117.98 115.21 2vvm s PHE 299 Ca 0.11 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.02 2vvm s PHE 299 Cb -0.11 -0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 2vvm s PHE 299 CO 0.01 -0.01 -0.16 0.08 -0.10 0.00 0.00 175.22 175.03 2vvm s VAL 300 N -0.31 1.29 0.16 -0.44 1.01 -1.26 -0.60 120.40 120.25 2vvm s VAL 300 Ca 0.03 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2vvm s VAL 300 Cb -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2vvm s VAL 300 CO -0.00 0.37 0.46 0.00 0.00 0.00 0.00 175.10 175.92 2vvm s ALA 301 N -0.34 -0.95 0.17 5.51 0.00 -0.97 -4.08 121.76 121.10 2vvm s ALA 301 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2vvm s ALA 301 Cb -0.07 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.90 2vvm s ALA 301 CO -0.00 -0.71 1.69 0.87 0.00 0.00 0.00 175.76 177.61 2vvm h LYS 302 N 2.28 0.95 -4.89 0.00 1.57 -1.38 0.52 116.57 115.62 2vvm h LYS 302 Ca -0.32 -0.22 -0.32 0.00 -1.87 0.00 0.00 60.65 57.92 2vvm h LYS 302 Cb 1.26 -0.13 -0.20 0.00 0.08 0.00 0.00 32.23 33.24 2vvm h LYS 302 CO 0.43 0.86 -0.74 1.03 -0.57 0.00 0.00 179.45 180.45 2vvm s ARG 303 N -5.36 0.70 -0.09 3.15 1.81 -0.99 -4.31 118.95 113.87 2vvm s ARG 303 Ca -0.13 -0.94 0.03 0.00 -1.72 0.00 0.00 55.73 52.98 2vvm s ARG 303 Cb 0.13 -0.50 0.00 0.00 -0.45 0.00 0.00 34.95 34.13 2vvm s ARG 303 CO 0.81 0.09 -0.20 0.08 -0.68 0.00 0.00 175.30 175.40 2vvm s VAL 304 N -1.71 1.78 -0.40 3.52 1.01 -0.15 -1.64 120.40 122.81 2vvm s VAL 304 Ca -0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 2vvm s VAL 304 Cb -0.08 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2vvm s VAL 304 CO 0.01 0.50 0.29 -0.69 0.00 0.00 0.00 175.10 175.20 2vvm s VAL 305 N 0.46 5.17 -0.36 2.92 1.01 0.38 -0.30 120.40 129.69 2vvm s VAL 305 Ca -0.17 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 2vvm s VAL 305 Cb -0.17 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2vvm s VAL 305 CO 0.07 -0.29 0.27 0.00 0.00 0.00 0.00 175.10 175.14 2vvm n THR 307 N 5.13 1.01 -1.63 0.00 -2.24 -0.43 -1.88 114.28 114.24 2vvm n THR 307 Ca -0.12 -1.00 -0.48 0.00 -2.27 0.00 0.00 64.05 60.17 2vvm n THR 307 Cb 0.49 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 2vvm n THR 307 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2vvm n ILE 308 N 0.78 0.27 -1.44 2.28 5.41 -1.26 -4.80 119.36 120.61 2vvm n ILE 308 Ca 0.15 -0.07 -0.34 0.00 1.00 0.00 0.00 62.75 63.49 2vvm n ILE 308 Cb 0.48 -1.17 0.09 0.00 -0.71 0.00 0.00 39.64 38.33 2vvm n ILE 308 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2vvm s PRO 309 N 0.37 2.19 0.23 0.38 0.02 -1.26 -4.79 135.00 132.14 2vvm s PRO 309 Ca 0.78 1.66 -0.09 0.00 0.02 0.00 0.00 61.00 63.38 2vvm s PRO 309 Cb -0.80 -1.85 0.37 0.00 0.02 0.00 0.00 34.50 32.24 2vvm s PRO 309 CO 0.45 -1.78 1.64 1.25 -0.33 0.00 0.00 177.00 178.23 2vvm h LEU 310 N -0.36 -0.35 0.00 -5.54 5.85 -1.92 -1.62 115.31 111.37 2vvm h LEU 310 Ca -0.47 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2vvm h LEU 310 Cb 1.28 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.64 2vvm h LEU 310 CO 0.50 -0.16 0.00 0.59 -0.34 0.00 0.00 178.44 179.03 2vvm n ASN 311 N -5.33 0.00 -0.00 1.25 4.13 -1.26 -2.40 115.26 111.65 2vvm n ASN 311 Ca 0.11 -0.09 0.05 0.00 1.68 0.00 0.00 54.58 56.34 2vvm n ASN 311 Cb 0.42 -0.25 -0.08 0.00 -1.54 0.00 0.00 39.78 38.33 2vvm n ASN 311 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2vvm n VAL 312 N -1.25 0.00 0.10 2.41 0.31 -0.67 -4.73 118.33 114.51 2vvm n VAL 312 Ca 0.10 -0.25 0.07 0.00 -0.01 0.00 0.00 64.34 64.25 2vvm n VAL 312 Cb 0.15 0.52 0.53 0.00 -0.91 0.00 0.00 33.84 34.13 2vvm n VAL 312 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2vvm h LEU 313 N 0.00 0.25 -0.76 7.52 3.38 -1.04 -2.18 115.31 122.48 2vvm h LEU 313 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vvm h LEU 313 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2vvm h LEU 313 CO 0.00 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 2vvm n SER 314 N -4.50 0.43 0.01 -0.43 3.41 -1.26 -1.64 113.62 109.64 2vvm n SER 314 Ca 0.01 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2vvm n SER 314 Cb 0.12 -0.73 0.51 0.00 -0.26 0.00 0.00 64.21 63.85 2vvm n SER 314 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2vvm n THR 315 N -2.02 0.04 -4.08 6.66 -2.24 -0.82 -4.87 114.28 106.94 2vvm n THR 315 Ca 0.01 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2vvm n THR 315 Cb 0.11 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.95 2vvm n THR 315 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2vvm s ILE 316 N -3.01 5.01 -0.36 2.28 -1.09 -0.65 -4.92 121.20 118.46 2vvm s ILE 316 Ca 0.13 0.02 -0.17 0.00 -2.23 0.00 0.00 60.65 58.40 2vvm s ILE 316 Cb 0.18 -3.16 -0.00 0.00 -1.58 0.00 0.00 42.46 37.90 2vvm s ILE 316 CO 0.58 0.61 0.46 -1.58 -1.23 0.00 0.00 174.94 173.77 2vvm s GLN 317 N -0.92 3.53 -0.01 2.79 2.00 -0.56 -4.99 119.66 121.51 2vvm s GLN 317 Ca 0.14 -0.32 0.01 0.00 -2.00 0.00 0.00 55.36 53.19 2vvm s GLN 317 Cb -0.12 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 2vvm s GLN 317 CO 0.03 -0.64 -0.00 -0.06 -0.50 0.00 0.00 175.29 174.12 2vvm s PHE 318 N 2.25 3.07 -0.04 1.67 0.08 -1.26 -1.51 117.98 122.25 2vvm s PHE 318 Ca 0.16 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 2vvm s PHE 318 Cb -0.16 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2vvm s PHE 318 CO 0.13 0.46 0.03 0.45 -0.10 0.00 0.00 175.22 176.19 2vvm s SER 319 N -1.48 0.83 1.05 1.36 0.15 -0.96 -4.13 113.70 110.52 2vvm s SER 319 Ca 0.19 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 2vvm s SER 319 Cb -0.11 -0.19 0.22 0.00 -1.71 0.00 0.00 66.02 64.23 2vvm s SER 319 CO 0.09 -0.18 1.17 -2.16 1.20 0.00 0.00 173.24 173.36 2vvm s PRO 320 N 1.66 -0.03 0.68 5.44 0.04 -1.26 -0.52 135.00 141.02 2vvm s PRO 320 Ca -0.01 -0.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.83 2vvm s PRO 320 Cb -0.13 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.69 2vvm s PRO 320 CO -0.03 -2.92 1.25 0.00 0.04 0.00 0.00 177.00 175.33 2vvm s ALA 321 N -3.31 2.26 0.65 8.56 0.00 -1.26 -5.01 121.76 123.66 2vvm s ALA 321 Ca 0.70 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 53.62 2vvm s ALA 321 Cb -0.10 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2vvm s ALA 321 CO 0.55 -1.70 1.00 -0.51 0.00 0.00 0.00 175.76 175.10 2vvm s LEU 322 N -4.70 3.05 0.80 0.00 1.43 -1.26 -5.05 118.68 112.95 2vvm s LEU 322 Ca 0.79 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 2vvm s LEU 322 Cb -0.33 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.31 2vvm s LEU 322 CO 0.42 -1.24 1.11 -0.94 0.23 0.00 0.00 176.35 175.92 2vvm s SER 323 N -4.35 4.09 0.24 2.29 1.04 -1.26 -4.80 113.70 110.94 2vvm s SER 323 Ca 0.56 1.94 -0.06 0.00 0.48 0.00 0.00 55.95 58.88 2vvm s SER 323 Cb -0.11 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.83 2vvm s SER 323 CO 0.48 -2.31 1.82 0.74 0.98 0.00 0.00 173.24 174.95 2vvm h THR 324 N -1.26 0.96 -0.49 2.02 2.02 -1.98 -0.44 112.91 113.73 2vvm h THR 324 Ca -0.44 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 2vvm h THR 324 Cb 1.24 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2vvm h THR 324 CO 0.49 0.15 0.13 -0.33 0.37 0.00 0.00 175.52 176.33 2vvm h GLU 325 N 0.82 0.78 -0.27 6.66 3.07 -1.93 0.79 114.58 124.50 2vvm h GLU 325 Ca 0.37 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 2vvm h GLU 325 Cb 0.28 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2vvm h GLU 325 CO -0.21 0.75 -0.12 -0.09 -1.40 0.00 0.00 179.01 177.94 2vvm h ARG 326 N 0.67 0.56 -0.26 2.33 2.43 -1.73 -2.68 114.38 115.72 2vvm h ARG 326 Ca 0.16 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2vvm h ARG 326 Cb 0.31 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2vvm h ARG 326 CO -0.00 0.80 0.16 0.82 -1.51 0.00 0.00 179.97 180.24 2vvm h ILE 327 N 0.30 1.09 -0.70 1.20 2.04 -0.97 -2.21 117.51 118.27 2vvm h ILE 327 Ca 0.06 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2vvm h ILE 327 Cb 0.63 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2vvm h ILE 327 CO 0.04 0.08 0.34 0.77 0.00 0.00 0.00 178.15 179.38 2vvm h SER 328 N 0.33 0.89 -0.34 1.72 4.64 -0.85 -0.76 113.55 119.18 2vvm h SER 328 Ca 0.09 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2vvm h SER 328 Cb -0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 2vvm h SER 328 CO -0.02 0.74 -0.05 0.00 -0.87 0.00 0.00 176.83 176.64 2vvm h ALA 329 N 1.40 0.46 0.00 5.18 0.00 -1.34 -1.48 119.26 123.48 2vvm h ALA 329 Ca 0.24 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2vvm h ALA 329 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2vvm h ALA 329 CO -0.03 0.27 -0.32 0.00 0.00 0.00 0.00 179.25 179.16 2vvm h MET 330 N 0.42 0.00 0.14 0.00 -0.00 -1.09 -0.05 114.93 114.35 2vvm h MET 330 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.78 2vvm h MET 330 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2vvm h MET 330 CO 0.03 0.32 -0.07 1.96 -0.00 0.00 0.00 176.91 179.15 2vvm h GLN 331 N 0.00 -0.18 -0.63 -0.10 4.20 -1.06 -3.35 115.11 113.99 2vvm h GLN 331 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2vvm h GLN 331 Cb 0.88 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 2vvm h GLN 331 CO 0.04 0.27 0.30 0.00 -0.67 0.00 0.00 178.83 178.77 2vvm h ALA 332 N -0.28 0.81 -0.98 3.87 0.00 -1.25 -3.49 119.26 117.93 2vvm h ALA 332 Ca -0.02 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2vvm h ALA 332 Cb 0.53 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2vvm h ALA 332 CO 0.03 0.38 -0.31 0.41 0.00 0.00 0.00 179.25 179.76 2vvm n GLY 333 N -0.94 -2.97 3.89 0.00 0.00 -0.04 -4.97 105.19 100.16 2vvm n GLY 333 Ca 0.04 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 2vvm n GLY 333 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2vvm s HIS 334 N -3.80 3.29 -1.97 1.61 -3.43 -1.26 -4.75 115.29 104.98 2vvm s HIS 334 Ca 0.00 0.97 0.21 0.00 -0.80 0.00 0.00 55.06 55.44 2vvm s HIS 334 Cb 0.00 -3.05 0.01 0.00 -1.43 0.00 0.00 32.58 28.11 2vvm s HIS 334 CO 0.00 -1.17 1.04 1.33 -2.00 0.00 0.00 174.74 173.94 2vvm n VAL 335 N -2.97 0.00 -2.36 -5.38 0.24 0.11 -4.91 118.33 103.07 2vvm n VAL 335 Ca 0.07 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 2vvm n VAL 335 Cb 0.57 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.18 2vvm n VAL 335 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2vvm s SER 336 N -2.27 6.14 -0.35 -1.34 0.15 -1.22 -3.71 113.70 111.10 2vvm s SER 336 Ca 0.18 0.44 0.06 0.00 0.70 0.00 0.00 55.95 57.33 2vvm s SER 336 Cb 0.17 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.41 2vvm s SER 336 CO 0.50 -1.67 1.46 0.23 1.20 0.00 0.00 173.24 174.96 2vvm n MET 337 N 8.54 2.57 -1.62 5.44 0.00 -0.66 -0.88 117.12 130.52 2vvm n MET 337 Ca 0.14 -3.55 -0.51 0.00 0.00 0.00 0.00 57.70 53.78 2vvm n MET 337 Cb 0.49 -2.05 -0.06 0.00 0.00 0.00 0.00 33.22 31.60 2vvm n MET 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2vvm s THR 339 N 0.83 5.30 -0.19 0.00 2.01 -0.59 -4.73 115.64 118.27 2vvm s THR 339 Ca 0.84 0.35 0.01 0.00 0.31 0.00 0.00 61.69 63.21 2vvm s THR 339 Cb -0.90 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.07 2vvm s THR 339 CO 0.46 0.31 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.79 2vvm s LYS 340 N 1.17 2.58 -0.12 4.92 2.20 -1.26 -0.52 119.74 128.72 2vvm s LYS 340 Ca 0.11 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2vvm s LYS 340 Cb -0.14 -2.51 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2vvm s LYS 340 CO 0.06 -0.31 -0.16 0.08 -0.36 0.00 0.00 175.35 174.66 2vvm s VAL 341 N 1.31 1.58 0.02 4.02 1.01 -0.03 -4.40 120.40 123.91 2vvm s VAL 341 Ca 0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2vvm s VAL 341 Cb -0.15 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 2vvm s VAL 341 CO -0.10 0.46 0.48 -1.00 0.00 0.00 0.00 175.10 174.93 2vvm s HIS 342 N 1.01 3.75 -0.11 5.22 3.76 0.11 -0.82 115.29 128.21 2vvm s HIS 342 Ca -0.06 1.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.95 2vvm s HIS 342 Cb -0.15 -2.39 0.03 0.00 1.11 0.00 0.00 32.58 31.18 2vvm s HIS 342 CO -0.02 0.59 -0.06 0.00 -0.85 0.00 0.00 174.74 174.39 2vvm s ALA 343 N -0.97 1.22 -0.26 -1.40 0.00 0.31 -1.63 121.76 119.03 2vvm s ALA 343 Ca 0.26 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 2vvm s ALA 343 Cb -0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 2vvm s ALA 343 CO 0.15 -0.42 0.68 -2.00 0.00 0.00 0.00 175.76 174.18 2vvm s GLU 344 N 1.74 4.10 0.32 0.00 2.12 -0.25 -0.22 118.70 126.51 2vvm s GLU 344 Ca 0.05 0.61 0.10 0.00 0.36 0.00 0.00 54.97 56.09 2vvm s GLU 344 Cb -0.13 -3.66 -0.06 0.00 0.26 0.00 0.00 34.13 30.54 2vvm s GLU 344 CO -0.08 -0.47 -0.11 0.14 -0.54 0.00 0.00 175.26 174.20 2vvm s VAL 345 N 2.62 2.23 -2.45 3.70 -7.23 -0.18 -0.04 120.40 119.04 2vvm s VAL 345 Ca 0.28 -2.24 0.23 0.00 -1.81 0.00 0.00 61.98 58.44 2vvm s VAL 345 Cb -0.15 -2.55 0.43 0.00 0.56 0.00 0.00 36.38 34.66 2vvm s VAL 345 CO 0.09 -0.25 1.51 -0.90 -0.31 0.00 0.00 175.10 175.23 2vvm n ASP 346 N -0.74 2.26 -4.40 4.85 5.68 -0.60 -3.43 116.55 120.17 2vvm n ASP 346 Ca -0.05 -1.79 -0.44 0.00 -0.50 0.00 0.00 54.79 52.01 2vvm n ASP 346 Cb 0.63 -0.11 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 2vvm n ASP 346 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2vvm s ASN 347 N -1.67 6.18 0.45 -1.12 3.84 -1.26 -4.93 114.94 116.43 2vvm s ASN 347 Ca 0.34 -1.24 0.15 0.00 0.21 0.00 0.00 52.86 52.32 2vvm s ASN 347 Cb 0.20 -2.23 1.01 0.00 -0.55 0.00 0.00 41.25 39.68 2vvm s ASN 347 CO 0.29 -0.80 1.99 0.11 -2.79 0.00 0.00 177.10 175.91 2vvm h LYS 348 N 8.89 0.00 0.00 0.43 1.57 -1.90 -2.92 116.57 122.65 2vvm h LYS 348 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2vvm h LYS 348 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2vvm h LYS 348 CO 0.94 0.18 0.00 -0.25 -0.57 0.00 0.00 179.45 179.76 2vvm n ASP 349 N -4.30 0.08 -0.24 0.86 8.00 -1.26 -3.23 116.55 116.46 2vvm n ASP 349 Ca -0.02 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.09 2vvm n ASP 349 Cb 0.25 -0.53 0.50 0.00 -0.02 0.00 0.00 41.12 41.31 2vvm n ASP 349 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2vvm n MET 350 N -1.58 1.31 -0.28 -1.24 2.81 -1.10 -0.64 117.12 116.40 2vvm n MET 350 Ca 0.06 -0.47 0.17 0.00 -1.81 0.00 0.00 57.70 55.64 2vvm n MET 350 Cb 0.28 -1.35 0.44 0.00 -0.71 0.00 0.00 33.22 31.88 2vvm n MET 350 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2vvm h ARG 351 N 0.97 0.53 -0.42 0.03 9.65 -1.77 -2.27 114.38 121.10 2vvm h ARG 351 Ca 0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2vvm h ARG 351 Cb 0.21 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2vvm h ARG 351 CO 0.00 0.35 0.02 -1.13 2.80 0.00 0.00 179.97 182.01 2vvm n SER 352 N -4.59 4.64 -4.86 -3.80 3.41 -1.24 -4.39 113.62 102.78 2vvm n SER 352 Ca 0.21 -3.03 -0.36 0.00 -0.26 0.00 0.00 58.87 55.42 2vvm n SER 352 Cb 0.64 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 2vvm n SER 352 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2vvm s TRP 353 N -2.84 3.62 0.07 7.33 -0.00 -0.85 -3.11 118.94 123.16 2vvm s TRP 353 Ca 0.48 0.77 0.02 0.00 -0.00 0.00 0.00 56.10 57.37 2vvm s TRP 353 Cb 0.38 -2.13 -0.03 0.00 -0.00 0.00 0.00 33.47 31.69 2vvm s TRP 353 CO 0.12 0.59 -0.07 0.95 -0.00 0.00 0.00 176.95 178.54 2vvm s THR 354 N -1.26 0.64 -0.05 5.86 -4.23 -0.95 -0.91 115.64 114.73 2vvm s THR 354 Ca 0.28 -1.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2vvm s THR 354 Cb -0.14 -1.24 0.03 0.00 1.34 0.00 0.00 72.50 72.48 2vvm s THR 354 CO 0.15 -0.67 0.32 -0.83 -0.54 0.00 0.00 174.62 173.06 2vvm s GLY 355 N -2.43 -0.19 -0.09 3.99 0.00 0.06 -0.55 107.32 108.10 2vvm s GLY 355 Ca 0.03 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.30 2vvm s GLY 355 CO -0.03 0.35 -0.15 -0.42 0.00 0.00 0.00 173.10 172.85 2vvm s ILE 356 N -0.85 1.42 -0.23 0.90 1.01 -0.65 -1.32 121.20 121.47 2vvm s ILE 356 Ca -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2vvm s ILE 356 Cb -0.04 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.19 2vvm s ILE 356 CO 0.03 0.42 -0.09 0.00 0.00 0.00 0.00 174.94 175.31 2vvm s ALA 357 N 0.82 2.13 -0.20 9.38 0.00 0.28 -0.42 121.76 133.75 2vvm s ALA 357 Ca -0.11 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 2vvm s ALA 357 Cb -0.16 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.61 2vvm s ALA 357 CO 0.01 -1.05 0.52 -0.47 0.00 0.00 0.00 175.76 174.77 2vvm s TYR 358 N 1.32 -0.62 -1.92 0.00 5.04 -0.33 -4.32 117.35 116.53 2vvm s TYR 358 Ca -0.05 1.44 0.21 0.00 -2.44 0.00 0.00 57.07 56.23 2vvm s TYR 358 Cb -0.18 0.24 0.57 0.00 0.35 0.00 0.00 41.96 42.94 2vvm s TYR 358 CO -0.07 -0.31 1.48 -0.35 -1.34 0.00 0.00 175.55 174.97 2vvm n PRO 359 N 3.17 2.69 0.01 4.97 -0.04 -1.26 -4.11 135.00 140.43 2vvm n PRO 359 Ca -0.16 -2.53 0.13 0.00 -0.04 0.00 0.00 63.50 60.91 2vvm n PRO 359 Cb 0.56 -1.52 0.40 0.00 -0.04 0.00 0.00 33.50 32.90 2vvm n PRO 359 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2vvm n PHE 360 N 1.49 0.12 -4.24 0.54 1.16 -1.26 -4.81 117.46 110.46 2vvm n PHE 360 Ca 0.22 0.03 -0.32 0.00 -1.87 0.00 0.00 57.45 55.52 2vvm n PHE 360 Cb 0.60 -0.44 -0.08 0.00 -1.61 0.00 0.00 39.48 37.94 2vvm n PHE 360 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2vvm s ASN 361 N -3.22 5.14 0.02 5.98 2.47 -1.26 -5.02 114.94 119.05 2vvm s ASN 361 Ca 0.12 -0.04 0.28 0.00 0.42 0.00 0.00 52.86 53.64 2vvm s ASN 361 Cb 0.17 -1.32 1.15 0.00 -1.45 0.00 0.00 41.25 39.80 2vvm s ASN 361 CO 0.63 0.25 1.88 0.29 -3.72 0.00 0.00 177.10 176.43 2vvm n LYS 362 N 1.17 0.03 -5.15 0.43 5.02 -1.26 -4.43 118.16 113.98 2vvm n LYS 362 Ca -0.13 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.87 2vvm n LYS 362 Cb 0.52 -1.54 -0.17 0.00 -0.02 0.00 0.00 35.03 33.83 2vvm n LYS 362 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vvm s LEU 363 N -3.18 2.04 -0.12 -0.35 1.43 -1.26 -4.29 118.68 112.94 2vvm s LEU 363 Ca 0.13 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2vvm s LEU 363 Cb 0.18 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.96 2vvm s LEU 363 CO 0.55 0.15 -0.07 0.00 0.23 0.00 0.00 176.35 177.21 2vvm s TYR 365 N -2.26 1.24 -0.04 0.00 6.14 -0.97 -0.55 117.35 120.91 2vvm s TYR 365 Ca -0.13 -0.40 -0.17 0.00 0.64 0.00 0.00 57.07 57.01 2vvm s TYR 365 Cb 0.04 -0.91 0.03 0.00 0.42 0.00 0.00 41.96 41.54 2vvm s TYR 365 CO 0.34 -0.20 0.38 0.00 0.64 0.00 0.00 175.55 176.71 2vvm s ALA 366 N 0.51 -0.96 0.05 3.97 0.00 -0.44 -0.09 121.76 124.80 2vvm s ALA 366 Ca -0.10 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2vvm s ALA 366 Cb -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 2vvm s ALA 366 CO 0.02 -0.27 -0.07 0.96 0.00 0.00 0.00 175.76 176.40 2vvm s ILE 367 N -1.09 0.54 -0.03 0.00 -4.36 -0.70 -0.76 121.20 114.81 2vvm s ILE 367 Ca -0.11 -1.20 -0.30 0.00 -0.26 0.00 0.00 60.65 58.78 2vvm s ILE 367 Cb -0.04 -0.75 -0.05 0.00 1.25 0.00 0.00 42.46 42.87 2vvm s ILE 367 CO 0.05 -0.46 1.47 -0.83 0.24 0.00 0.00 174.94 175.41 2vvm s GLY 368 N -1.79 1.72 -0.00 6.27 0.00 -0.09 -1.44 107.32 112.00 2vvm s GLY 368 Ca -0.07 0.88 0.03 0.00 0.00 0.00 0.00 44.72 45.56 2vvm s GLY 368 CO -0.00 2.68 0.10 1.34 0.00 0.00 0.00 173.10 177.21 2vvm n ASP 369 N 5.96 2.64 0.00 1.64 2.03 0.42 -4.57 116.55 124.67 2vvm n ASP 369 Ca 0.14 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2vvm n ASP 369 Cb 0.43 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.92 2vvm n ASP 369 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vvm n GLY 370 N 1.83 -1.38 2.94 0.27 0.00 -1.18 -4.60 105.19 103.06 2vvm n GLY 370 Ca -0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 2vvm n GLY 370 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vvm s THR 371 N -2.49 0.88 0.72 2.61 2.01 -1.26 -0.30 115.64 117.80 2vvm s THR 371 Ca 0.00 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 2vvm s THR 371 Cb 0.00 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.68 2vvm s THR 371 CO 0.00 0.31 1.08 0.42 -0.69 0.00 0.00 174.62 175.74 2vvm s THR 372 N 1.03 3.66 0.49 -0.82 -4.23 -0.02 -4.89 115.64 110.87 2vvm s THR 372 Ca -0.08 0.58 0.25 0.00 -1.18 0.00 0.00 61.69 61.25 2vvm s THR 372 Cb -0.14 -3.18 0.42 0.00 1.34 0.00 0.00 72.50 70.94 2vvm s THR 372 CO -0.00 -0.67 1.90 -0.65 -0.54 0.00 0.00 174.62 174.66 2vvm h PRO 373 N -0.73 0.15 0.00 3.99 0.11 -1.85 0.29 132.00 133.97 2vvm h PRO 373 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vvm h PRO 373 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2vvm h PRO 373 CO 0.54 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2vvm h ALA 374 N 1.62 1.00 0.00 -0.75 0.00 -1.92 -3.46 119.26 115.75 2vvm h ALA 374 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2vvm h ALA 374 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2vvm h ALA 374 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2vvm n GLY 375 N -0.42 0.92 3.78 0.00 0.00 0.10 -5.09 105.19 104.48 2vvm n GLY 375 Ca 0.01 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2vvm n GLY 375 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vvm s ASN 376 N -2.11 5.84 0.26 1.61 0.01 -1.25 -4.85 114.94 114.45 2vvm s ASN 376 Ca 0.00 0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 52.15 2vvm s ASN 376 Cb 0.00 -1.80 -0.12 0.00 0.41 0.00 0.00 41.25 39.74 2vvm s ASN 376 CO 0.00 0.38 1.64 0.41 -1.51 0.00 0.00 177.10 178.02 2vvm n THR 377 N 2.14 0.62 -3.76 1.60 -1.04 -1.22 -0.84 114.28 111.78 2vvm n THR 377 Ca -0.19 -0.15 -0.36 0.00 -2.04 0.00 0.00 64.05 61.30 2vvm n THR 377 Cb 0.54 -1.95 -0.10 0.00 -1.82 0.00 0.00 70.33 67.00 2vvm n THR 377 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2vvm s HIS 378 N 0.45 3.24 -0.09 -1.42 2.46 0.59 -1.01 115.29 119.51 2vvm s HIS 378 Ca 0.69 0.05 -0.01 0.00 0.47 0.00 0.00 55.06 56.26 2vvm s HIS 378 Cb -0.51 -2.23 -0.03 0.00 -0.13 0.00 0.00 32.58 29.69 2vvm s HIS 378 CO 0.42 -0.02 -0.03 -0.51 -2.47 0.00 0.00 174.74 172.13 2vvm s LEU 379 N 1.06 3.35 -0.11 8.88 1.43 0.70 -0.44 118.68 133.55 2vvm s LEU 379 Ca 0.06 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2vvm s LEU 379 Cb -0.14 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2vvm s LEU 379 CO 0.04 0.33 -0.13 0.54 0.23 0.00 0.00 176.35 177.36 2vvm s VAL 380 N -0.63 3.08 -0.02 -1.59 0.11 -0.52 -0.53 120.40 120.30 2vvm s VAL 380 Ca 0.10 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 2vvm s VAL 380 Cb -0.12 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.44 2vvm s VAL 380 CO 0.02 0.54 -0.17 0.00 -3.33 0.00 0.00 175.10 172.15 2vvm s PHE 382 N -0.24 1.80 0.15 0.00 0.08 0.87 -0.85 117.98 119.79 2vvm s PHE 382 Ca 0.03 -0.60 0.11 0.00 0.12 0.00 0.00 56.93 56.59 2vvm s PHE 382 Cb -0.09 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 2vvm s PHE 382 CO 0.00 -0.24 -0.26 0.20 -0.10 0.00 0.00 175.22 174.83 2vvm s GLY 383 N 0.26 1.62 0.32 4.36 0.00 0.33 -0.20 107.32 114.00 2vvm s GLY 383 Ca -0.09 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.11 2vvm s GLY 383 CO 0.04 -1.53 0.12 1.16 0.00 0.00 0.00 173.10 172.90 2vvm n ASN 384 N 0.67 2.43 0.04 1.64 0.23 -1.26 -1.55 115.26 117.46 2vvm n ASN 384 Ca -0.16 -2.22 0.13 0.00 -0.53 0.00 0.00 54.58 51.79 2vvm n ASN 384 Cb 0.54 0.09 0.38 0.00 -2.08 0.00 0.00 39.78 38.71 2vvm n ASN 384 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2vvm n SER 385 N -1.55 0.47 0.14 0.53 7.64 -0.70 -3.28 113.62 116.87 2vvm n SER 385 Ca -0.07 0.25 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 2vvm n SER 385 Cb 0.38 -0.23 0.19 0.00 -1.01 0.00 0.00 64.21 63.54 2vvm n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vvm h ALA 386 N 2.78 1.01 -2.23 -0.43 0.00 -1.85 -3.37 119.26 115.17 2vvm h ALA 386 Ca 0.00 -0.54 -0.51 0.00 0.00 0.00 0.00 54.91 53.86 2vvm h ALA 386 Cb 0.61 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 17.96 2vvm h ALA 386 CO 0.00 0.74 -0.85 1.21 0.00 0.00 0.00 179.25 180.34 2vvm s ASN 387 N -6.83 1.55 0.04 0.00 3.84 -1.24 -5.12 114.94 107.17 2vvm s ASN 387 Ca -0.01 -2.45 -0.05 0.00 0.21 0.00 0.00 52.86 50.56 2vvm s ASN 387 Cb 0.13 -0.05 -0.05 0.00 -0.55 0.00 0.00 41.25 40.73 2vvm s ASN 387 CO 0.76 -0.21 0.26 -2.28 -2.79 0.00 0.00 177.10 172.84 2vvm s HIS 388 N 0.65 3.55 -0.02 0.43 5.65 -1.20 -4.24 115.29 120.10 2vvm s HIS 388 Ca 0.26 0.48 0.03 0.00 0.25 0.00 0.00 55.06 56.08 2vvm s HIS 388 Cb -0.07 -1.93 -0.00 0.00 -1.18 0.00 0.00 32.58 29.40 2vvm s HIS 388 CO -0.10 0.58 -0.10 -1.50 -0.65 0.00 0.00 174.74 172.98 2vvm s ILE 389 N -1.40 0.82 -0.44 0.89 2.07 -1.26 -4.98 121.20 116.90 2vvm s ILE 389 Ca 0.31 -0.40 -0.21 0.00 -1.41 0.00 0.00 60.65 58.94 2vvm s ILE 389 Cb -0.13 -0.71 0.02 0.00 0.13 0.00 0.00 42.46 41.77 2vvm s ILE 389 CO 0.20 0.25 0.66 -1.10 -1.91 0.00 0.00 174.94 173.03 2vvm s GLN 390 N 0.04 3.29 0.53 3.50 -1.52 -1.26 -4.80 119.66 119.44 2vvm s GLN 390 Ca -0.01 -0.35 0.25 0.00 -1.95 0.00 0.00 55.36 53.31 2vvm s GLN 390 Cb -0.07 -3.95 1.48 0.00 -0.22 0.00 0.00 33.01 30.25 2vvm s GLN 390 CO 0.00 -1.02 2.12 -1.00 -0.25 0.00 0.00 175.29 175.14 2vvm h PRO 391 N 8.89 0.00 -0.00 2.91 0.13 -1.96 -1.87 132.00 140.09 2vvm h PRO 391 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2vvm h PRO 391 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2vvm h PRO 391 CO 0.90 0.09 -0.31 -0.40 -0.23 0.00 0.00 178.00 178.05 2vvm n ASP 392 N -3.85 0.46 -0.07 1.44 5.75 -1.26 -4.30 116.55 114.70 2vvm n ASP 392 Ca -0.02 -0.22 -0.12 0.00 -0.01 0.00 0.00 54.79 54.42 2vvm n ASP 392 Cb 0.19 0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.26 2vvm n ASP 392 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2vvm h GLU 393 N 0.23 0.42 -1.59 0.11 4.57 -1.76 -3.42 114.58 113.13 2vvm h GLU 393 Ca 0.00 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 2vvm h GLU 393 Cb 0.48 -0.02 -0.27 0.00 -0.16 0.00 0.00 28.75 28.78 2vvm h GLU 393 CO 0.00 0.66 -0.48 0.34 -1.18 0.00 0.00 179.01 178.35 2vvm s ASP 394 N -6.02 -0.06 0.33 1.04 -1.08 -1.26 -5.04 116.67 104.58 2vvm s ASP 394 Ca -0.14 -0.07 0.08 0.00 -0.52 0.00 0.00 52.55 51.91 2vvm s ASP 394 Cb 0.07 1.32 0.78 0.00 -1.46 0.00 0.00 42.92 43.63 2vvm s ASP 394 CO 0.75 -0.33 1.83 0.58 0.52 0.00 0.00 175.17 178.52 2vvm h VAL 395 N 6.13 0.78 -0.54 1.11 2.07 -1.83 -1.47 116.25 122.50 2vvm h VAL 395 Ca -0.11 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 2vvm h VAL 395 Cb 1.14 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2vvm h VAL 395 CO 0.25 0.13 -0.07 0.03 0.02 0.00 0.00 177.57 177.94 2vvm h ARG 396 N 0.73 1.01 -0.70 1.57 3.08 -1.96 0.16 114.38 118.26 2vvm h ARG 396 Ca 0.51 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2vvm h ARG 396 Cb 0.82 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2vvm h ARG 396 CO -0.27 1.04 0.27 1.49 -1.07 0.00 0.00 179.97 181.42 2vvm h GLU 397 N 0.88 1.04 -0.33 0.04 4.57 -1.72 -0.63 114.58 118.44 2vvm h GLU 397 Ca 0.15 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2vvm h GLU 397 Cb 0.63 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2vvm h GLU 397 CO 0.04 0.85 -0.04 1.15 -1.18 0.00 0.00 179.01 179.84 2vvm h THR 398 N 1.02 1.27 -0.94 0.32 2.02 -0.88 -1.50 112.91 114.22 2vvm h THR 398 Ca 0.23 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2vvm h THR 398 Cb 0.21 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2vvm h THR 398 CO -0.02 0.34 0.56 -0.07 0.37 0.00 0.00 175.52 176.70 2vvm h LEU 399 N 0.40 1.13 -0.26 2.58 3.38 -0.61 -1.83 115.31 120.09 2vvm h LEU 399 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2vvm h LEU 399 Cb 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2vvm h LEU 399 CO 0.02 0.87 0.17 0.50 0.09 0.00 0.00 178.44 180.10 2vvm h LYS 400 N 1.30 0.35 -0.78 1.13 3.64 -0.94 -0.54 116.57 120.73 2vvm h LYS 400 Ca 0.34 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2vvm h LYS 400 Cb -0.05 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2vvm h LYS 400 CO -0.06 0.23 0.51 0.00 -2.27 0.00 0.00 179.45 177.86 2vvm h ALA 401 N 1.09 0.99 -0.19 5.00 0.00 -1.04 -1.36 119.26 123.76 2vvm h ALA 401 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2vvm h ALA 401 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2vvm h ALA 401 CO -0.02 0.39 0.07 0.28 0.00 0.00 0.00 179.25 179.97 2vvm h VAL 402 N 1.05 1.16 -0.67 0.00 2.07 -1.14 -3.15 116.25 115.56 2vvm h VAL 402 Ca 0.29 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2vvm h VAL 402 Cb -0.11 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2vvm h VAL 402 CO -0.07 0.15 0.31 1.23 0.02 0.00 0.00 177.57 179.22 2vvm h GLY 403 N 0.15 1.03 1.91 2.17 0.00 -0.77 -2.74 103.07 104.82 2vvm h GLY 403 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2vvm h GLY 403 CO -0.01 0.48 0.00 -1.06 0.00 0.00 0.00 176.54 175.95 2vvm n GLN 404 N -4.33 0.04 0.18 4.80 6.02 -0.54 -1.69 117.38 121.86 2vvm n GLN 404 Ca 0.06 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.36 2vvm n GLN 404 Cb 0.14 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.25 2vvm n GLN 404 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2vvm h LEU 405 N 0.00 0.00 -5.25 1.08 3.38 -1.54 -3.38 115.31 109.59 2vvm h LEU 405 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2vvm h LEU 405 Cb 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.74 2vvm h LEU 405 CO 0.00 0.40 -0.62 0.00 0.09 0.00 0.00 178.44 178.31 2vvm n ALA 406 N -2.39 -0.61 -1.70 1.53 0.00 -0.68 -4.88 120.51 111.78 2vvm n ALA 406 Ca -0.01 -1.76 -0.43 0.00 0.00 0.00 0.00 53.44 51.24 2vvm n ALA 406 Cb 0.47 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 2vvm n ALA 406 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2vvm n PRO 407 N 1.95 2.17 -1.18 0.00 -0.02 -0.92 -2.63 135.00 134.36 2vvm n PRO 407 Ca 0.14 0.76 -0.06 0.00 -2.02 0.00 0.00 63.50 62.32 2vvm n PRO 407 Cb 0.59 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2vvm n PRO 407 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vvm n GLY 408 N 1.16 0.75 0.01 -1.23 0.00 -1.26 -4.87 105.19 99.74 2vvm n GLY 408 Ca 0.06 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2vvm n GLY 408 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vvm n THR 409 N -2.49 0.00 -3.63 2.61 -2.24 -1.08 -5.06 114.28 102.40 2vvm n THR 409 Ca -0.06 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 2vvm n THR 409 Cb 0.37 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 2vvm n THR 409 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2vvm s PHE 410 N -2.83 -0.28 0.17 4.78 -0.12 -1.26 -4.71 117.98 113.73 2vvm s PHE 410 Ca -0.04 0.14 0.08 0.00 -0.05 0.00 0.00 56.93 57.05 2vvm s PHE 410 Cb 0.08 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2vvm s PHE 410 CO 0.52 -0.65 -0.04 0.20 -0.05 0.00 0.00 175.22 175.20 2vvm s GLY 411 N -2.35 1.74 -0.26 1.99 0.00 -1.26 -4.98 107.32 102.20 2vvm s GLY 411 Ca -0.02 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 2vvm s GLY 411 CO -0.07 -1.41 0.24 0.14 0.00 0.00 0.00 173.10 172.00 2vvm s VAL 412 N -1.69 5.29 -0.04 1.40 1.01 -1.26 -1.56 120.40 123.54 2vvm s VAL 412 Ca 0.26 0.30 0.13 0.00 0.00 0.00 0.00 61.98 62.67 2vvm s VAL 412 Cb -0.09 -3.57 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 2vvm s VAL 412 CO 0.17 0.26 0.92 0.11 0.00 0.00 0.00 175.10 176.56 2vvm h LYS 413 N 8.03 0.00 -2.10 2.72 1.57 -0.79 -3.45 116.57 122.55 2vvm h LYS 413 Ca -0.35 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 2vvm h LYS 413 Cb 1.18 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.27 2vvm h LYS 413 CO 0.61 0.56 0.08 0.50 -0.57 0.00 0.00 179.45 180.63 2vvm s ARG 414 N -2.74 0.80 -0.01 3.15 3.52 -0.99 -4.35 118.95 118.33 2vvm s ARG 414 Ca -0.02 0.90 0.06 0.00 -0.13 0.00 0.00 55.73 56.54 2vvm s ARG 414 Cb 0.09 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.84 2vvm s ARG 414 CO 0.81 -0.11 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.51 2vvm s LEU 415 N 0.27 2.59 -0.04 -0.88 1.43 0.13 -1.09 118.68 121.10 2vvm s LEU 415 Ca -0.01 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2vvm s LEU 415 Cb -0.04 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2vvm s LEU 415 CO 0.01 0.31 0.01 -0.69 0.23 0.00 0.00 176.35 176.22 2vvm s VAL 416 N -0.79 0.16 0.14 -1.59 1.01 -0.65 -0.40 120.40 118.28 2vvm s VAL 416 Ca 0.13 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 2vvm s VAL 416 Cb -0.10 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 36.06 2vvm s VAL 416 CO 0.02 0.16 0.74 0.72 0.00 0.00 0.00 175.10 176.74 2vvm s PHE 417 N 1.30 -0.38 -0.04 5.22 -0.12 -0.91 -0.71 117.98 122.34 2vvm s PHE 417 Ca -0.06 0.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.98 2vvm s PHE 417 Cb -0.13 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 2vvm s PHE 417 CO -0.02 -0.85 -0.12 -1.58 -0.05 0.00 0.00 175.22 172.59 2vvm s HIS 418 N -3.57 1.29 -0.70 3.49 2.46 -1.26 0.46 115.29 117.45 2vvm s HIS 418 Ca 0.05 -0.36 -0.22 0.00 0.47 0.00 0.00 55.06 55.00 2vvm s HIS 418 Cb -0.02 -0.90 0.07 0.00 -0.13 0.00 0.00 32.58 31.61 2vvm s HIS 418 CO -0.06 -0.14 1.01 1.21 -2.47 0.00 0.00 174.74 174.28 2vvm s ASN 419 N 0.19 6.22 0.32 9.88 3.84 -1.26 -4.72 114.94 129.40 2vvm s ASN 419 Ca -0.04 -1.08 0.11 0.00 0.21 0.00 0.00 52.86 52.05 2vvm s ASN 419 Cb -0.10 -2.43 0.54 0.00 -0.55 0.00 0.00 41.25 38.70 2vvm s ASN 419 CO 0.01 -1.43 1.72 -0.50 -2.79 0.00 0.00 177.10 174.12 2vvm h TRP 420 N 9.52 0.04 -0.22 0.43 4.06 -1.88 -2.83 115.95 125.07 2vvm h TRP 420 Ca -0.23 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.67 2vvm h TRP 420 Cb 1.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 2vvm h TRP 420 CO 1.00 0.51 -0.00 0.28 -3.56 0.00 0.00 178.44 176.67 2vvm h VAL 421 N 0.02 1.26 -0.00 1.49 2.07 -1.86 -2.09 116.25 117.13 2vvm h VAL 421 Ca -0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2vvm h VAL 421 Cb 0.86 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2vvm h VAL 421 CO 0.06 0.28 -0.29 0.29 0.02 0.00 0.00 177.57 177.93 2vvm n LYS 422 N -4.66 0.50 -1.82 1.57 5.02 -1.24 -3.78 118.16 113.75 2vvm n LYS 422 Ca -0.04 -0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 55.56 2vvm n LYS 422 Cb 0.24 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 2vvm n LYS 422 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2vvm s ASP 423 N -2.68 5.83 0.50 4.39 -1.08 -1.07 -4.87 116.67 117.69 2vvm s ASP 423 Ca 0.20 1.73 0.33 0.00 -0.52 0.00 0.00 52.55 54.30 2vvm s ASP 423 Cb 0.19 -2.52 1.78 0.00 -1.46 0.00 0.00 42.92 40.91 2vvm s ASP 423 CO 0.57 -1.68 2.02 1.05 0.52 0.00 0.00 175.17 177.65 2vvm h GLU 424 N 13.26 0.00 -0.60 4.34 4.11 -1.88 0.40 114.58 134.22 2vvm h GLU 424 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2vvm h GLU 424 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2vvm h GLU 424 CO 0.99 0.00 0.00 1.19 0.07 0.00 0.00 179.01 181.26 2vvm n PHE 425 N -2.69 0.85 0.00 2.06 3.72 -1.26 -4.58 117.46 115.56 2vvm n PHE 425 Ca -0.02 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 2vvm n PHE 425 Cb 0.07 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2vvm n PHE 425 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vvm n ALA 426 N 1.21 2.59 -4.04 4.37 0.00 -0.52 -4.76 120.51 119.36 2vvm n ALA 426 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 2vvm n ALA 426 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 2vvm n ALA 426 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vvm n LYS 427 N -2.24 -3.76 0.00 0.00 5.02 0.13 -4.47 118.16 112.83 2vvm n LYS 427 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2vvm n LYS 427 Cb 0.11 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 2vvm n LYS 427 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vvm n GLY 428 N -1.69 3.09 0.00 0.72 0.00 -0.80 -4.85 105.19 101.67 2vvm n GLY 428 Ca -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2vvm n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vvm n ALA 429 N -1.88 0.00 -1.36 4.61 0.00 -0.06 -4.50 120.51 117.32 2vvm n ALA 429 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2vvm n ALA 429 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vvm n ALA 429 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2vvm n TRP 430 N 0.00 -1.50 -1.67 0.00 2.14 -1.26 -4.87 117.44 110.28 2vvm n TRP 430 Ca 0.00 0.63 -0.47 0.00 2.07 0.00 0.00 57.50 59.73 2vvm n TRP 430 Cb 0.00 -1.86 -0.05 0.00 -0.81 0.00 0.00 31.31 28.60 2vvm n TRP 430 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 2vvm n PHE 431 N -0.94 2.26 -3.76 -2.67 7.35 -1.26 -4.42 117.46 114.02 2vvm n PHE 431 Ca 0.12 0.17 -0.13 0.00 -0.76 0.00 0.00 57.45 56.84 2vvm n PHE 431 Cb 0.39 -2.59 -0.14 0.00 0.35 0.00 0.00 39.48 37.50 2vvm n PHE 431 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2vvm s PHE 432 N 2.31 -0.15 0.31 -5.13 2.19 -1.26 -4.65 117.98 111.60 2vvm s PHE 432 Ca 0.85 0.44 -0.08 0.00 0.33 0.00 0.00 56.93 58.48 2vvm s PHE 432 Cb -0.70 -0.06 -0.06 0.00 -1.31 0.00 0.00 43.02 40.88 2vvm s PHE 432 CO 0.45 -0.15 0.62 -1.54 1.83 0.00 0.00 175.22 176.43 2vvm s SER 433 N 0.96 6.52 0.81 6.13 1.04 -1.26 -0.71 113.70 127.19 2vvm s SER 433 Ca -0.07 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.13 2vvm s SER 433 Cb -0.10 -2.22 0.08 0.00 0.10 0.00 0.00 66.02 63.89 2vvm s SER 433 CO -0.05 -0.22 1.09 -0.13 0.98 0.00 0.00 173.24 174.91 2vvm s ARG 434 N -3.44 1.95 0.21 4.02 0.52 -1.26 -1.27 118.95 119.68 2vvm s ARG 434 Ca 0.47 0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 56.11 2vvm s ARG 434 Cb -0.11 -1.89 -0.11 0.00 0.52 0.00 0.00 34.95 33.36 2vvm s ARG 434 CO 0.28 -1.74 1.65 -2.14 0.02 0.00 0.00 175.30 173.36 2vvm s PRO 435 N -5.07 4.15 0.00 3.54 0.01 -1.26 -1.57 135.00 134.80 2vvm s PRO 435 Ca 0.61 2.52 0.00 0.00 0.01 0.00 0.00 61.00 64.15 2vvm s PRO 435 Cb -0.15 -3.09 0.00 0.00 0.01 0.00 0.00 34.50 31.27 2vvm s PRO 435 CO 0.55 -0.68 0.00 0.41 0.01 0.00 0.00 177.00 177.29 2vvm n GLY 436 N 3.57 2.77 0.09 0.52 0.00 0.28 -4.87 105.19 107.55 2vvm n GLY 436 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2vvm n GLY 436 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2vvm h MET 437 N 2.14 0.18 -0.14 1.61 -1.53 -1.56 -1.46 114.93 114.18 2vvm h MET 437 Ca 0.00 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.21 2vvm h MET 437 Cb 0.00 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.02 2vvm h MET 437 CO 0.00 0.27 -0.01 0.28 0.14 0.00 0.00 176.91 177.60 2vvm h VAL 438 N 0.04 1.26 -0.76 -5.77 2.07 -1.92 0.98 116.25 112.15 2vvm h VAL 438 Ca 0.04 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2vvm h VAL 438 Cb 0.16 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2vvm h VAL 438 CO -0.00 0.25 0.50 0.77 0.02 0.00 0.00 177.57 179.11 2vvm h SER 439 N -0.02 0.88 -0.04 0.57 4.64 -1.92 -0.60 113.55 117.05 2vvm h SER 439 Ca 0.04 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.09 2vvm h SER 439 Cb 0.38 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2vvm h SER 439 CO 0.01 0.64 -0.92 -0.08 -0.87 0.00 0.00 176.83 175.60 2vvm h GLU 440 N 1.03 0.72 0.00 4.77 4.81 -1.11 -3.41 114.58 121.40 2vvm h GLU 440 Ca 0.28 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2vvm h GLU 440 Cb -0.11 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2vvm h GLU 440 CO -0.06 1.28 -0.81 0.00 -0.73 0.00 0.00 179.01 178.69 2vvm h LEU 442 N 0.00 0.09 -0.42 0.00 5.85 -1.26 1.00 115.31 120.57 2vvm h LEU 442 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2vvm h LEU 442 Cb 0.15 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2vvm h LEU 442 CO 0.00 0.07 0.28 -0.61 -0.34 0.00 0.00 178.44 177.84 2vvm h GLN 443 N 0.30 0.55 -0.89 1.25 4.15 -1.85 -2.11 115.11 116.50 2vvm h GLN 443 Ca 0.26 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.69 2vvm h GLN 443 Cb 0.32 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 2vvm h GLN 443 CO -0.30 0.36 0.57 0.78 -1.93 0.00 0.00 178.83 178.32 2vvm h GLY 444 N 0.56 1.31 2.00 2.39 0.00 -1.60 -2.27 103.07 105.46 2vvm h GLY 444 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2vvm h GLY 444 CO -0.03 0.36 -0.07 1.41 0.00 0.00 0.00 176.54 178.20 2vvm h LEU 445 N 1.10 0.00 -1.15 3.11 3.38 -0.42 -3.10 115.31 118.23 2vvm h LEU 445 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2vvm h LEU 445 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2vvm h LEU 445 CO -0.13 0.07 -0.36 0.54 0.09 0.00 0.00 178.44 178.65 2vvm n ARG 446 N -3.20 1.41 -2.40 1.13 1.74 -0.83 -4.88 116.66 109.64 2vvm n ARG 446 Ca 0.00 -1.15 -0.39 0.00 -0.77 0.00 0.00 57.85 55.55 2vvm n ARG 446 Cb 0.34 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 2vvm n ARG 446 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2vvm s GLU 447 N -2.38 4.28 0.56 5.56 2.12 -0.98 -4.92 118.70 122.94 2vvm s GLU 447 Ca 0.21 1.77 -0.21 0.00 0.36 0.00 0.00 54.97 57.10 2vvm s GLU 447 Cb 0.19 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.69 2vvm s GLU 447 CO 0.51 -0.10 1.21 1.17 -0.54 0.00 0.00 175.26 177.51 2vvm n LYS 448 N 0.44 1.40 -3.36 4.30 4.81 -1.26 -4.66 118.16 119.82 2vvm n LYS 448 Ca 0.02 0.52 -0.26 0.00 -0.87 0.00 0.00 58.31 57.72 2vvm n LYS 448 Cb 0.46 -2.41 -0.09 0.00 0.02 0.00 0.00 35.03 33.02 2vvm n LYS 448 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2vvm n HIS 449 N -1.23 -0.08 0.00 5.64 -0.00 -1.03 -5.06 115.22 113.45 2vvm n HIS 449 Ca 0.12 -3.54 0.00 0.00 -0.00 0.00 0.00 57.72 54.30 2vvm n HIS 449 Cb 0.45 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 2vvm n HIS 449 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2vvm n GLY 450 N 2.11 3.73 0.52 1.57 0.00 -1.26 -1.15 105.19 110.71 2vvm n GLY 450 Ca 0.26 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.59 2vvm n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvm n GLY 451 N 0.00 0.24 3.48 -0.02 0.00 -1.26 -4.83 105.19 102.80 2vvm n GLY 451 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2vvm n GLY 451 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvm s VAL 452 N -1.75 4.14 -0.33 1.61 1.01 -0.30 -0.98 120.40 123.79 2vvm s VAL 452 Ca 0.29 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2vvm s VAL 452 Cb 0.15 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2vvm s VAL 452 CO 0.23 0.42 0.20 -0.69 0.00 0.00 0.00 175.10 175.26 2vvm s VAL 453 N 0.99 4.94 -0.31 2.92 1.01 0.59 -2.47 120.40 128.06 2vvm s VAL 453 Ca 0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 2vvm s VAL 453 Cb -0.14 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2vvm s VAL 453 CO 0.02 -0.01 0.71 -0.36 0.00 0.00 0.00 175.10 175.46 2vvm s PHE 454 N 1.66 3.20 -0.03 5.22 0.08 -1.26 -0.42 117.98 126.43 2vvm s PHE 454 Ca 0.05 0.66 0.01 0.00 0.12 0.00 0.00 56.93 57.76 2vvm s PHE 454 Cb -0.17 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.17 2vvm s PHE 454 CO 0.08 -0.54 -0.01 0.00 -0.10 0.00 0.00 175.22 174.65 2vvm s ALA 455 N 2.79 0.36 -0.18 5.36 0.00 -0.79 -4.84 121.76 124.46 2vvm s ALA 455 Ca 0.28 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 2vvm s ALA 455 Cb -0.14 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.82 2vvm s ALA 455 CO 0.13 -0.04 1.04 1.21 0.00 0.00 0.00 175.76 178.10 2vvm s ASN 456 N 0.83 -0.34 0.49 0.00 3.84 -1.26 -3.86 114.94 114.64 2vvm s ASN 456 Ca -0.09 0.41 0.27 0.00 0.21 0.00 0.00 52.86 53.66 2vvm s ASN 456 Cb -0.12 0.32 1.35 0.00 -0.55 0.00 0.00 41.25 42.25 2vvm s ASN 456 CO -0.01 -0.29 1.86 -1.28 -2.79 0.00 0.00 177.10 174.58 2vvm h SER 457 N 2.66 0.15 -0.34 -4.21 0.87 -1.83 -2.04 113.55 108.81 2vvm h SER 457 Ca -0.18 0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 2vvm h SER 457 Cb 1.17 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2vvm h SER 457 CO 0.28 0.05 0.38 0.44 -0.53 0.00 0.00 176.83 177.45 2vvm h ASP 458 N 0.15 0.00 0.00 6.23 3.32 -1.93 -1.97 116.42 122.22 2vvm h ASP 458 Ca 0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.43 2vvm h ASP 458 Cb 1.62 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.96 2vvm h ASP 458 CO -0.08 0.00 -0.79 -2.67 -1.72 0.00 0.00 179.24 173.98 2vvm n TRP 459 N -3.74 0.00 -0.93 4.55 2.14 -0.77 -4.77 117.44 113.93 2vvm n TRP 459 Ca 0.06 -0.93 -0.29 0.00 2.07 0.00 0.00 57.50 58.40 2vvm n TRP 459 Cb 0.54 -0.19 0.20 0.00 -0.81 0.00 0.00 31.31 31.04 2vvm n TRP 459 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2vvm s ALA 460 N -1.44 0.49 -0.20 -1.67 0.00 -0.94 -4.84 121.76 113.16 2vvm s ALA 460 Ca 0.35 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.14 2vvm s ALA 460 Cb 0.38 -3.18 -0.21 0.00 0.00 0.00 0.00 23.12 20.10 2vvm s ALA 460 CO -0.12 -3.17 0.02 1.28 0.00 0.00 0.00 175.76 173.77 2vvm n LEU 461 N -4.43 2.25 0.00 0.00 4.77 -1.26 -4.54 117.00 113.79 2vvm n LEU 461 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2vvm n LEU 461 Cb 0.56 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2vvm n LEU 461 CO 0.57 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2vvm n GLY 462 N 2.07 0.68 2.33 -0.72 0.00 -1.26 -4.35 105.19 103.93 2vvm n GLY 462 Ca -0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2vvm n GLY 462 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2vvm n TRP 463 N 0.00 1.88 -1.73 1.61 7.02 -1.26 -4.93 117.44 120.03 2vvm n TRP 463 Ca 0.00 -2.65 -0.42 0.00 -1.02 0.00 0.00 57.50 53.41 2vvm n TRP 463 Cb 0.00 -2.20 -0.02 0.00 -2.42 0.00 0.00 31.31 26.67 2vvm n TRP 463 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 2vvm n ARG 464 N 3.55 2.65 -0.57 -0.99 0.63 -1.26 -1.83 116.66 118.84 2vvm n ARG 464 Ca 0.67 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 58.55 2vvm n ARG 464 Cb 0.30 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.48 2vvm n ARG 464 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2vvm n SER 465 N 2.46 0.00 -4.85 6.15 3.41 -0.78 -4.96 113.62 115.04 2vvm n SER 465 Ca 0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.50 2vvm n SER 465 Cb 0.36 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 2vvm n SER 465 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2vvm s PHE 466 N -3.24 2.93 0.27 7.33 0.08 -0.76 -4.49 117.98 120.10 2vvm s PHE 466 Ca 0.00 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.77 2vvm s PHE 466 Cb 0.00 -1.76 0.54 0.00 -0.57 0.00 0.00 43.02 41.23 2vvm s PHE 466 CO 0.00 0.21 1.79 0.82 -0.10 0.00 0.00 175.22 177.94 2vvm h ILE 467 N 1.26 0.80 -0.54 0.64 2.04 -1.91 -1.47 117.51 118.34 2vvm h ILE 467 Ca -0.45 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.24 2vvm h ILE 467 Cb 1.25 -0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2vvm h ILE 467 CO 0.58 0.14 0.12 -0.78 0.00 0.00 0.00 178.15 178.21 2vvm h ASP 468 N 0.76 0.02 -0.48 1.72 3.58 -1.94 -2.07 116.42 118.01 2vvm h ASP 468 Ca 0.48 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.99 2vvm h ASP 468 Cb 0.60 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2vvm h ASP 468 CO -0.32 0.03 0.21 1.23 -2.88 0.00 0.00 179.24 177.51 2vvm h GLY 469 N 0.26 0.80 0.94 -0.78 0.00 -0.79 0.39 103.07 103.89 2vvm h GLY 469 Ca 0.27 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2vvm h GLY 469 CO -0.34 0.37 0.33 0.00 0.00 0.00 0.00 176.54 176.90 2vvm h ALA 470 N 1.49 0.66 -0.34 3.60 0.00 -0.78 -0.86 119.26 123.04 2vvm h ALA 470 Ca 0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2vvm h ALA 470 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2vvm h ALA 470 CO -0.02 0.06 -0.31 0.82 0.00 0.00 0.00 179.25 179.80 2vvm h ILE 471 N 0.66 1.29 -0.48 0.00 2.04 -0.85 0.47 117.51 120.64 2vvm h ILE 471 Ca 0.20 -1.48 0.10 0.00 1.00 0.00 0.00 64.86 64.68 2vvm h ILE 471 Cb -0.03 1.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 2vvm h ILE 471 CO -0.07 0.48 -0.13 -0.08 0.00 0.00 0.00 178.15 178.36 2vvm h GLU 472 N 0.58 -0.01 -0.16 2.37 4.81 -0.77 -0.42 114.58 120.99 2vvm h GLU 472 Ca 0.06 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 2vvm h GLU 472 Cb 0.89 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2vvm h GLU 472 CO 0.08 -0.01 -0.63 0.93 -0.73 0.00 0.00 179.01 178.65 2vvm h GLU 473 N -0.01 0.57 -0.58 1.92 4.39 -0.96 -1.68 114.58 118.22 2vvm h GLU 473 Ca 0.23 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2vvm h GLU 473 Cb 0.36 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2vvm h GLU 473 CO -0.50 1.02 0.21 0.78 -1.16 0.00 0.00 179.01 179.36 2vvm h GLY 474 N 1.03 0.95 0.99 -3.84 0.00 -0.68 -0.86 103.07 100.67 2vvm h GLY 474 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2vvm h GLY 474 CO 0.12 0.50 0.24 -0.84 0.00 0.00 0.00 176.54 176.56 2vvm h THR 475 N 0.81 1.11 -0.61 4.70 2.02 -0.99 -2.11 112.91 117.83 2vvm h THR 475 Ca 0.19 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2vvm h THR 475 Cb 0.23 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2vvm h THR 475 CO -0.01 0.11 0.40 -0.09 0.37 0.00 0.00 175.52 176.29 2vvm h ARG 476 N 0.50 0.81 -0.36 6.66 2.43 -1.16 -2.30 114.38 120.96 2vvm h ARG 476 Ca 0.14 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2vvm h ARG 476 Cb -0.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2vvm h ARG 476 CO -0.03 0.54 0.20 0.00 -1.51 0.00 0.00 179.97 179.18 2vvm h ALA 477 N 1.22 0.46 -0.64 2.80 0.00 -0.94 -0.73 119.26 121.44 2vvm h ALA 477 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2vvm h ALA 477 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2vvm h ALA 477 CO -0.05 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.48 2vvm h ALA 478 N 1.06 0.82 -0.14 0.00 0.00 -1.36 -1.76 119.26 117.89 2vvm h ALA 478 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2vvm h ALA 478 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2vvm h ALA 478 CO -0.02 0.40 -0.03 -0.09 0.00 0.00 0.00 179.25 179.52 2vvm h ARG 479 N 0.88 0.01 -0.44 0.00 9.65 -1.09 0.36 114.38 123.76 2vvm h ARG 479 Ca 0.22 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.15 2vvm h ARG 479 Cb 0.15 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 2vvm h ARG 479 CO -0.02 0.01 0.17 0.28 2.80 0.00 0.00 179.97 183.20 2vvm h VAL 480 N 0.01 0.88 -0.14 0.20 2.07 -0.96 -0.59 116.25 117.73 2vvm h VAL 480 Ca 0.07 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2vvm h VAL 480 Cb 0.10 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2vvm h VAL 480 CO -0.14 0.06 0.05 0.58 0.02 0.00 0.00 177.57 178.15 2vvm h VAL 481 N 0.34 1.17 -0.77 2.57 2.07 -1.02 -0.84 116.25 119.77 2vvm h VAL 481 Ca 0.20 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2vvm h VAL 481 Cb 0.18 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2vvm h VAL 481 CO -0.20 0.15 0.49 0.25 0.02 0.00 0.00 177.57 178.29 2vvm h LEU 482 N 0.05 0.89 -0.28 2.57 6.46 -0.73 -0.07 115.31 124.21 2vvm h LEU 482 Ca 0.05 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.68 2vvm h LEU 482 Cb 0.19 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2vvm h LEU 482 CO -0.00 0.66 -0.17 -0.33 -0.62 0.00 0.00 178.44 177.97 2vvm h GLU 483 N 1.05 0.61 0.00 1.25 5.08 -0.90 -0.23 114.58 121.44 2vvm h GLU 483 Ca 0.28 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2vvm h GLU 483 Cb -0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2vvm h GLU 483 CO -0.06 0.87 -0.71 0.93 -1.00 0.00 0.00 179.01 179.04 2vvm h GLU 484 N 0.35 0.00 0.00 2.33 5.08 -0.80 -3.32 114.58 118.21 2vvm h GLU 484 Ca 0.06 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 2vvm h GLU 484 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2vvm h GLU 484 CO 0.05 0.71 -2.21 1.28 -1.00 0.00 0.00 179.01 177.84 2vvm n LEU 485 N -3.57 0.19 -0.66 1.33 4.32 -0.07 -5.09 117.00 113.45 2vvm n LEU 485 Ca -0.00 0.09 0.09 0.00 -0.02 0.00 0.00 56.01 56.16 2vvm n LEU 485 Cb 0.72 0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 42.90 2vvm n LEU 485 CO 0.43 0.44 -0.13 0.61 -1.22 0.00 0.00 177.39 177.52 2vvm n GLY 486 N 1.68 -1.62 2.88 -0.72 0.00 -0.10 -5.07 105.19 102.24 2vvm n GLY 486 Ca -0.28 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2vvm n GLY 486 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73