#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vgg n GLN 59 N 0.00 -1.57 -3.67 -1.09 6.02 -1.23 -1.23 117.38 114.61 2vgg n GLN 59 Ca 0.00 0.53 -0.23 0.00 -0.01 0.00 0.00 57.00 57.29 2vgg n GLN 59 Cb 0.00 -4.51 0.06 0.00 1.02 0.00 0.00 30.24 26.80 2vgg n GLN 59 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2vgg n GLN 60 N -0.82 -6.21 0.09 -1.09 1.13 -1.26 -4.70 117.38 104.52 2vgg n GLN 60 Ca -0.07 0.72 -0.12 0.00 -1.94 0.00 0.00 57.00 55.59 2vgg n GLN 60 Cb 0.35 -5.59 -0.05 0.00 0.11 0.00 0.00 30.24 25.06 2vgg n GLN 60 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2vgg h LEU 61 N -2.15 -0.54 -1.25 1.08 4.07 -1.49 -2.53 115.31 112.51 2vgg h LEU 61 Ca -0.59 0.07 0.07 0.00 0.08 0.00 0.00 57.88 57.51 2vgg h LEU 61 Cb 1.36 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 43.26 2vgg h LEU 61 CO 0.58 -0.27 0.54 -0.65 -1.08 0.00 0.00 178.44 177.56 2vgg h PRO 62 N -0.36 0.87 -5.84 1.13 0.11 -1.90 -3.44 132.00 122.58 2vgg h PRO 62 Ca 0.03 -0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.45 2vgg h PRO 62 Cb 0.39 -0.20 -0.11 0.00 0.11 0.00 0.00 31.00 31.19 2vgg h PRO 62 CO -0.12 0.58 1.54 0.00 -0.21 0.00 0.00 178.00 179.79 2vgg s ALA 63 N -5.80 2.99 0.00 -0.75 0.00 -0.96 -5.00 121.76 112.24 2vgg s ALA 63 Ca -0.11 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.34 2vgg s ALA 63 Cb 0.20 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2vgg s ALA 63 CO 0.79 -3.43 0.00 0.00 0.00 0.00 0.00 175.76 173.12 2vgg n ALA 66 N 8.31 0.00 0.22 0.00 0.00 -1.26 -4.83 120.51 122.95 2vgg n ALA 66 Ca 0.35 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.87 2vgg n ALA 66 Cb 0.49 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.45 2vgg n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vgg h ASP 67 N 0.00 0.00 -3.33 0.00 3.45 -1.95 -3.45 116.42 111.13 2vgg h ASP 67 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 2vgg h ASP 67 Cb 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.64 2vgg h ASP 67 CO 0.00 0.26 -0.51 0.42 -1.57 0.00 0.00 179.24 177.84 2vgg s THR 68 N -4.07 0.53 -0.01 0.35 -4.23 -1.26 -5.05 115.64 101.90 2vgg s THR 68 Ca -0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 2vgg s THR 68 Cb 0.13 -2.34 -0.33 0.00 1.34 0.00 0.00 72.50 71.30 2vgg s THR 68 CO 0.66 0.00 0.93 0.15 -0.54 0.00 0.00 174.62 175.82 2vgg h PHE 69 N 1.80 0.76 0.05 3.99 -0.00 -1.98 -0.83 116.94 120.73 2vgg h PHE 69 Ca -0.34 -0.55 0.00 0.00 -0.00 0.00 0.00 57.97 57.08 2vgg h PHE 69 Cb 1.27 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 37.18 2vgg h PHE 69 CO 1.57 1.45 -0.09 1.25 -0.00 0.00 0.00 178.31 182.48 2vgg h LEU 70 N -0.12 -0.26 -0.84 0.59 5.85 -1.99 0.15 115.31 118.69 2vgg h LEU 70 Ca -0.21 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.64 2vgg h LEU 70 Cb 1.90 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.91 2vgg h LEU 70 CO 0.21 -0.10 -0.42 1.21 -0.34 0.00 0.00 178.44 178.99 2vgg n GLU 71 N -2.91 -0.30 0.00 1.25 2.13 -1.25 -0.70 120.64 118.86 2vgg n GLU 71 Ca -0.02 1.27 0.00 0.00 0.66 0.00 0.00 57.16 59.08 2vgg n GLU 71 Cb 0.08 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2vgg n GLU 71 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2vgg n HIS 72 N -5.12 0.00 -0.38 4.31 -0.00 -0.32 -1.32 115.22 112.39 2vgg n HIS 72 Ca 0.05 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.18 2vgg n HIS 72 Cb 0.27 -0.49 -0.01 0.00 -0.12 0.00 0.00 29.99 29.63 2vgg n HIS 72 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2vgg n LEU 73 N -2.92 -0.77 0.00 0.27 4.77 0.49 -0.18 117.00 118.65 2vgg n LEU 73 Ca 0.00 1.68 0.00 0.00 -0.03 0.00 0.00 56.01 57.66 2vgg n LEU 73 Cb 0.00 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2vgg n LEU 73 CO 0.00 -1.45 0.49 0.00 -1.33 0.00 0.00 177.39 175.10 2vgg n LEU 75 N -1.32 1.87 -4.61 0.00 4.77 0.75 -4.98 117.00 113.48 2vgg n LEU 75 Ca 0.00 -1.71 -0.47 0.00 -0.03 0.00 0.00 56.01 53.80 2vgg n LEU 75 Cb 0.17 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2vgg n LEU 75 CO 0.00 0.46 1.66 0.18 -1.33 0.00 0.00 177.39 178.36 2vgg n LEU 76 N -0.20 3.15 -4.48 2.23 4.77 -0.65 -4.19 117.00 117.63 2vgg n LEU 76 Ca 0.02 0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 56.29 2vgg n LEU 76 Cb 0.21 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.78 2vgg n LEU 76 CO 0.01 -0.35 -0.29 -0.62 -1.33 0.00 0.00 177.39 174.82 2vgg s ASP 77 N 5.89 5.15 0.25 -1.43 -1.08 -1.26 -5.01 116.67 119.18 2vgg s ASP 77 Ca 0.98 -0.16 0.24 0.00 -0.52 0.00 0.00 52.55 53.09 2vgg s ASP 77 Cb -0.63 -1.91 0.96 0.00 -1.46 0.00 0.00 42.92 39.88 2vgg s ASP 77 CO 0.47 0.02 1.72 2.30 0.52 0.00 0.00 175.17 180.19 2vgg n ILE 78 N 4.54 0.80 0.65 4.11 -5.35 -1.26 -1.59 119.36 121.26 2vgg n ILE 78 Ca -0.16 0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.60 2vgg n ILE 78 Cb 0.52 -1.10 0.13 0.00 -1.74 0.00 0.00 39.64 37.44 2vgg n ILE 78 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2vgg n ASP 79 N -2.23 2.97 -4.57 7.28 8.00 -1.26 -4.78 116.55 121.95 2vgg n ASP 79 Ca 0.02 -1.91 -0.29 0.00 0.71 0.00 0.00 54.79 53.33 2vgg n ASP 79 Cb 0.25 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 2vgg n ASP 79 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2vgg s SER 80 N -1.62 5.15 0.04 -2.24 0.01 -0.62 -4.93 113.70 109.48 2vgg s SER 80 Ca 0.29 -1.47 -0.35 0.00 1.31 0.00 0.00 55.95 55.73 2vgg s SER 80 Cb 0.19 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.70 2vgg s SER 80 CO 0.27 -2.90 1.66 -0.62 0.41 0.00 0.00 173.24 172.06 2vgg n GLU 81 N 8.43 1.96 -1.62 12.44 -0.58 -1.26 -4.53 120.64 135.48 2vgg n GLU 81 Ca 0.44 0.71 -0.36 0.00 -0.42 0.00 0.00 57.16 57.53 2vgg n GLU 81 Cb 0.47 -2.48 0.08 0.00 -0.57 0.00 0.00 31.44 28.93 2vgg n GLU 81 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2vgg s PRO 82 N 2.08 2.37 -0.26 3.49 0.04 -1.26 -3.56 135.00 137.90 2vgg s PRO 82 Ca 0.85 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.86 2vgg s PRO 82 Cb -0.75 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.10 2vgg s PRO 82 CO 0.46 -1.71 0.39 0.54 0.04 0.00 0.00 177.00 176.71 2vgg s VAL 83 N -1.59 -0.62 0.00 -0.36 0.11 -1.26 -4.87 120.40 111.81 2vgg s VAL 83 Ca 0.80 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2vgg s VAL 83 Cb -0.35 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 2vgg s VAL 83 CO 0.42 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 172.00 2vgg n ALA 84 N 5.36 0.00 -1.53 1.54 0.00 -1.26 -4.83 120.51 119.79 2vgg n ALA 84 Ca -0.02 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.87 2vgg n ALA 84 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2vgg n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg n ALA 85 N -1.41 -2.44 -1.78 0.00 0.00 -1.26 -4.89 120.51 108.73 2vgg n ALA 85 Ca 0.00 0.54 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 2vgg n ALA 85 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 2vgg n ALA 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2vgg s ARG 86 N 0.00 3.84 -0.08 0.00 1.70 -1.26 -4.95 118.95 118.20 2vgg s ARG 86 Ca 0.84 1.63 0.09 0.00 -0.47 0.00 0.00 55.73 57.83 2vgg s ARG 86 Cb -1.10 -2.37 -0.14 0.00 -0.57 0.00 0.00 34.95 30.78 2vgg s ARG 86 CO 0.53 -0.44 0.08 -1.13 -1.08 0.00 0.00 175.30 173.26 2vgg n SER 87 N -0.50 2.49 -4.64 -2.89 3.41 -1.26 -4.88 113.62 105.35 2vgg n SER 87 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 2vgg n SER 87 Cb 0.49 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 65.33 2vgg n SER 87 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2vgg s THR 88 N -2.36 3.32 0.60 6.66 2.01 -1.26 -2.27 115.64 122.34 2vgg s THR 88 Ca -0.05 0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 2vgg s THR 88 Cb 0.04 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2vgg s THR 88 CO 0.42 -0.11 1.02 -0.44 -0.69 0.00 0.00 174.62 174.82 2vgg s SER 89 N 5.13 6.28 -0.10 3.53 0.01 -0.96 -4.86 113.70 122.74 2vgg s SER 89 Ca 0.83 1.42 0.03 0.00 1.31 0.00 0.00 55.95 59.55 2vgg s SER 89 Cb -0.33 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 2vgg s SER 89 CO 0.34 -0.83 -0.20 -0.63 0.41 0.00 0.00 173.24 172.34 2vgg s ILE 90 N -3.10 2.47 -0.12 1.44 1.01 -1.26 -2.06 121.20 119.58 2vgg s ILE 90 Ca 0.55 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2vgg s ILE 90 Cb -0.11 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 2vgg s ILE 90 CO 0.51 0.55 -0.04 -0.63 0.00 0.00 0.00 174.94 175.33 2vgg s ILE 91 N 0.15 3.91 -0.05 2.92 1.01 0.51 -1.20 121.20 128.46 2vgg s ILE 91 Ca -0.11 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2vgg s ILE 91 Cb -0.16 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.65 2vgg s ILE 91 CO 0.06 0.55 -0.10 0.00 0.00 0.00 0.00 174.94 175.44 2vgg s ALA 92 N -0.22 1.06 -0.01 9.38 0.00 -0.70 -0.58 121.76 130.69 2vgg s ALA 92 Ca 0.04 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 2vgg s ALA 92 Cb -0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2vgg s ALA 92 CO 0.02 0.12 0.85 0.99 0.00 0.00 0.00 175.76 177.75 2vgg s THR 93 N 0.47 4.88 0.18 0.00 2.01 -0.55 -0.81 115.64 121.82 2vgg s THR 93 Ca -0.09 1.78 -0.26 0.00 0.31 0.00 0.00 61.69 63.43 2vgg s THR 93 Cb -0.13 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 2vgg s THR 93 CO 0.02 0.23 0.81 -0.63 -0.69 0.00 0.00 174.62 174.36 2vgg s ILE 94 N 0.70 4.31 0.14 1.82 -1.09 -0.15 -2.99 121.20 123.94 2vgg s ILE 94 Ca 0.45 1.78 -0.23 0.00 -2.23 0.00 0.00 60.65 60.41 2vgg s ILE 94 Cb -0.20 -4.17 0.08 0.00 -1.58 0.00 0.00 42.46 36.59 2vgg s ILE 94 CO 0.24 0.52 1.09 0.61 -1.23 0.00 0.00 174.94 176.17 2vgg n GLY 95 N 1.56 0.51 0.48 6.18 0.00 -1.26 -4.61 105.19 108.06 2vgg n GLY 95 Ca -0.05 -1.13 0.30 0.00 0.00 0.00 0.00 46.02 45.14 2vgg n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vgg h PRO 96 N 0.00 0.08 0.00 1.61 0.11 -1.72 0.41 132.00 132.49 2vgg h PRO 96 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2vgg h PRO 96 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2vgg h PRO 96 CO 0.35 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2vgg n ALA 97 N -2.69 2.50 -2.37 -0.75 0.00 0.01 -4.09 120.51 113.12 2vgg n ALA 97 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2vgg n ALA 97 Cb 1.04 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 19.13 2vgg n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vgg n SER 98 N -0.97 -0.96 -0.00 0.00 3.41 0.14 -4.85 113.62 110.39 2vgg n SER 98 Ca 0.19 -1.75 0.08 0.00 -0.26 0.00 0.00 58.87 57.13 2vgg n SER 98 Cb 0.09 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2vgg n SER 98 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2vgg n ARG 99 N -0.76 1.52 -2.71 4.33 0.63 -0.95 -4.40 116.66 114.33 2vgg n ARG 99 Ca -0.16 -0.02 -0.41 0.00 -0.92 0.00 0.00 57.85 56.34 2vgg n ARG 99 Cb 0.71 -1.28 -0.04 0.00 0.45 0.00 0.00 32.46 32.31 2vgg n ARG 99 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2vgg s SER 100 N -2.73 7.44 0.27 6.15 1.04 -1.26 -4.86 113.70 119.75 2vgg s SER 100 Ca 0.04 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.18 2vgg s SER 100 Cb 0.12 -2.58 0.50 0.00 0.10 0.00 0.00 66.02 64.16 2vgg s SER 100 CO 0.66 -0.14 1.59 0.58 0.98 0.00 0.00 173.24 176.91 2vgg h VAL 101 N 4.28 0.14 -0.54 5.02 2.07 -1.93 0.77 116.25 126.06 2vgg h VAL 101 Ca -0.42 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2vgg h VAL 101 Cb 1.21 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2vgg h VAL 101 CO 0.73 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 178.24 2vgg h GLU 102 N 0.03 0.79 -0.75 1.57 4.39 -1.98 -0.14 114.58 118.49 2vgg h GLU 102 Ca 0.47 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 2vgg h GLU 102 Cb 0.83 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2vgg h GLU 102 CO -0.86 0.67 0.40 -0.09 -1.16 0.00 0.00 179.01 177.97 2vgg h ARG 103 N 0.73 1.04 0.08 2.33 9.65 -1.43 -1.40 114.38 125.37 2vgg h ARG 103 Ca 0.18 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2vgg h ARG 103 Cb 0.15 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2vgg h ARG 103 CO -0.02 0.76 -0.04 -0.07 2.80 0.00 0.00 179.97 183.41 2vgg h LEU 104 N 1.04 -0.09 -0.69 3.80 -0.00 -0.07 -0.59 115.31 118.72 2vgg h LEU 104 Ca 0.26 -0.18 0.15 0.00 -0.00 0.00 0.00 57.88 58.11 2vgg h LEU 104 Cb 0.03 0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 40.61 2vgg h LEU 104 CO -0.04 0.13 0.14 0.11 -0.00 0.00 0.00 178.44 178.78 2vgg h LYS 105 N -0.31 0.24 -0.56 1.13 1.57 -0.71 0.17 116.57 118.10 2vgg h LYS 105 Ca -0.01 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2vgg h LYS 105 Cb 0.26 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2vgg h LYS 105 CO 0.02 0.16 0.26 0.93 -0.57 0.00 0.00 179.45 180.24 2vgg h GLU 106 N 0.24 0.48 0.00 3.15 5.08 -0.46 -1.61 114.58 121.46 2vgg h GLU 106 Ca 0.38 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2vgg h GLU 106 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2vgg h GLU 106 CO -0.49 0.32 -0.29 0.52 -1.00 0.00 0.00 179.01 178.06 2vgg h MET 107 N 0.49 0.00 0.64 2.33 2.86 0.76 -1.48 114.93 120.52 2vgg h MET 107 Ca 0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 2vgg h MET 107 Cb 0.22 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 2vgg h MET 107 CO -0.21 0.29 -0.31 0.82 1.06 0.00 0.00 176.91 178.57 2vgg h ILE 108 N 0.00 0.08 -1.08 -1.22 2.04 -0.10 -1.18 117.51 116.04 2vgg h ILE 108 Ca -0.00 -0.36 0.33 0.00 1.00 0.00 0.00 64.86 65.83 2vgg h ILE 108 Cb 0.56 0.11 -0.13 0.00 -0.74 0.00 0.00 36.82 36.62 2vgg h ILE 108 CO 0.04 0.01 0.65 0.11 0.00 0.00 0.00 178.15 178.96 2vgg h LYS 109 N -1.19 0.28 0.00 2.37 1.57 -1.08 0.36 116.57 118.88 2vgg h LYS 109 Ca -0.09 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2vgg h LYS 109 Cb 0.68 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2vgg h LYS 109 CO 0.14 0.19 -0.17 0.00 -0.57 0.00 0.00 179.45 179.04 2vgg h ALA 110 N 1.75 0.95 0.00 3.86 0.00 -1.01 -3.47 119.26 121.34 2vgg h ALA 110 Ca 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2vgg h ALA 110 Cb 1.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2vgg h ALA 110 CO -0.50 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.37 2vgg n GLY 111 N 0.53 0.20 3.75 0.00 0.00 0.12 -4.44 105.19 105.35 2vgg n GLY 111 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2vgg n GLY 111 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2vgg n MET 112 N 0.00 2.64 -0.03 1.61 0.00 -0.54 -4.47 117.12 116.33 2vgg n MET 112 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 57.70 58.60 2vgg n MET 112 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 33.22 30.50 2vgg n MET 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2vgg n ASN 113 N 1.28 3.54 -4.25 6.12 4.13 -0.34 -4.76 115.26 120.98 2vgg n ASN 113 Ca 0.05 -0.01 -0.27 0.00 1.68 0.00 0.00 54.58 56.03 2vgg n ASN 113 Cb 0.37 0.50 -0.15 0.00 -1.54 0.00 0.00 39.78 38.97 2vgg n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vgg s ILE 114 N -2.14 1.73 -0.19 2.41 1.01 -0.85 -0.38 121.20 122.78 2vgg s ILE 114 Ca -0.04 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 2vgg s ILE 114 Cb 0.02 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2vgg s ILE 114 CO 0.23 0.39 -0.03 0.00 0.00 0.00 0.00 174.94 175.53 2vgg s ALA 115 N -0.62 2.94 -0.22 9.38 0.00 -0.49 -1.72 121.76 131.02 2vgg s ALA 115 Ca 0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 2vgg s ALA 115 Cb -0.09 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 2vgg s ALA 115 CO 0.00 -0.13 0.14 0.50 0.00 0.00 0.00 175.76 176.27 2vgg s ARG 116 N 0.97 4.09 -0.32 0.00 3.52 0.01 0.99 118.95 128.22 2vgg s ARG 116 Ca 0.01 -0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.24 2vgg s ARG 116 Cb -0.14 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 2vgg s ARG 116 CO 0.01 0.14 0.17 -0.51 -0.81 0.00 0.00 175.30 174.30 2vgg s LEU 117 N 0.82 4.19 -0.77 -0.88 1.43 0.42 -0.98 118.68 122.93 2vgg s LEU 117 Ca 0.07 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 2vgg s LEU 117 Cb -0.13 -2.03 0.11 0.00 0.03 0.00 0.00 46.19 44.17 2vgg s LEU 117 CO 0.02 -0.20 0.98 0.21 0.23 0.00 0.00 176.35 177.59 2vgg s ASN 118 N 1.64 6.38 0.00 2.29 3.84 -1.26 -0.51 114.94 127.33 2vgg s ASN 118 Ca 0.05 -1.57 0.03 0.00 0.21 0.00 0.00 52.86 51.58 2vgg s ASN 118 Cb -0.17 -2.38 0.16 0.00 -0.55 0.00 0.00 41.25 38.30 2vgg s ASN 118 CO 0.07 -1.20 0.47 0.49 -2.79 0.00 0.00 177.10 174.15 2vgg n PHE 119 N 6.86 0.00 0.30 0.43 3.01 -0.05 -1.88 117.46 126.13 2vgg n PHE 119 Ca 0.07 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.71 2vgg n PHE 119 Cb 0.46 0.00 0.79 0.00 -0.01 0.00 0.00 39.48 40.72 2vgg n PHE 119 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2vgg h SER 120 N 0.00 0.00 -4.65 4.37 0.02 -1.83 -3.39 113.55 108.06 2vgg h SER 120 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2vgg h SER 120 Cb 0.00 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.31 2vgg h SER 120 CO 0.00 0.00 -0.72 -1.00 -1.14 0.00 0.00 176.83 173.97 2vgg s HIS 121 N -3.72 0.36 0.12 3.45 3.76 -0.79 -5.07 115.29 113.41 2vgg s HIS 121 Ca -0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2vgg s HIS 121 Cb 0.10 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.55 2vgg s HIS 121 CO 0.45 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 2vgg n GLY 122 N 1.88 -2.93 3.96 -2.22 0.00 -1.26 -4.87 105.19 99.75 2vgg n GLY 122 Ca -0.21 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 2vgg n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 123 N -4.02 4.46 0.17 1.61 1.04 -1.26 -4.94 113.70 110.76 2vgg s SER 123 Ca 0.00 0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.33 2vgg s SER 123 Cb 0.00 -0.54 0.10 0.00 0.10 0.00 0.00 66.02 65.68 2vgg s SER 123 CO 0.00 -1.80 1.78 0.45 0.98 0.00 0.00 173.24 174.65 2vgg h HIS 124 N -0.62 0.38 -0.15 5.02 -0.00 -2.00 -0.57 115.15 117.21 2vgg h HIS 124 Ca -0.41 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 2vgg h HIS 124 Cb 1.28 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 2vgg h HIS 124 CO -0.08 0.19 0.10 0.93 -0.00 0.00 0.00 177.93 179.06 2vgg h GLU 125 N 0.42 0.19 -0.07 2.45 3.07 -1.99 -1.19 114.58 117.46 2vgg h GLU 125 Ca 0.20 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.91 2vgg h GLU 125 Cb 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2vgg h GLU 125 CO -0.15 0.13 -0.56 -0.92 -1.40 0.00 0.00 179.01 176.11 2vgg h TYR 126 N 0.20 0.28 0.08 4.33 3.20 -1.47 -2.52 116.97 121.07 2vgg h TYR 126 Ca 0.05 -0.10 -0.28 0.00 3.14 0.00 0.00 58.73 61.54 2vgg h TYR 126 Cb -0.02 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2vgg h TYR 126 CO 0.00 0.73 -1.41 0.45 -1.64 0.00 0.00 178.16 176.29 2vgg h HIS 127 N 0.17 0.32 -0.65 -3.82 3.86 -1.02 -3.02 115.15 110.99 2vgg h HIS 127 Ca -0.00 -0.24 0.08 0.00 -1.16 0.00 0.00 60.37 59.05 2vgg h HIS 127 Cb 1.04 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.46 2vgg h HIS 127 CO 0.02 1.25 0.43 0.00 0.86 0.00 0.00 177.93 180.49 2vgg h ALA 128 N 0.66 1.85 -0.72 2.45 0.00 -1.08 0.25 119.26 122.67 2vgg h ALA 128 Ca -0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2vgg h ALA 128 Cb 1.96 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2vgg h ALA 128 CO 0.15 0.02 0.28 0.93 0.00 0.00 0.00 179.25 180.64 2vgg h GLU 129 N 0.58 1.08 -0.41 0.00 5.08 -1.44 0.20 114.58 119.67 2vgg h GLU 129 Ca 0.29 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2vgg h GLU 129 Cb 0.39 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2vgg h GLU 129 CO -0.09 0.89 -0.29 0.77 -1.00 0.00 0.00 179.01 179.29 2vgg h SER 130 N 1.04 0.92 -0.02 1.42 0.02 -0.46 -0.79 113.55 115.68 2vgg h SER 130 Ca 0.24 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2vgg h SER 130 Cb 0.22 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2vgg h SER 130 CO -0.02 1.14 -0.04 0.40 -1.14 0.00 0.00 176.83 177.18 2vgg h ILE 131 N 0.75 1.44 -1.01 3.27 2.04 -1.01 0.11 117.51 123.10 2vgg h ILE 131 Ca 0.08 -1.36 0.31 0.00 1.00 0.00 0.00 64.86 64.89 2vgg h ILE 131 Cb 0.85 2.31 -0.14 0.00 -0.74 0.00 0.00 36.82 39.10 2vgg h ILE 131 CO 0.08 0.36 0.58 0.00 0.00 0.00 0.00 178.15 179.17 2vgg h ALA 132 N 0.45 1.95 0.03 1.87 0.00 -0.79 -0.98 119.26 121.79 2vgg h ALA 132 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2vgg h ALA 132 Cb 0.61 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2vgg h ALA 132 CO 0.01 -0.54 -0.02 -0.91 0.00 0.00 0.00 179.25 177.80 2vgg h ASN 133 N 0.37 -0.04 -0.53 0.00 -0.26 -0.34 -1.08 115.58 113.70 2vgg h ASN 133 Ca 0.72 -0.54 0.05 0.00 -0.56 0.00 0.00 56.30 55.97 2vgg h ASN 133 Cb 1.61 0.01 -0.08 0.00 -1.06 0.00 0.00 38.32 38.80 2vgg h ASN 133 CO -0.57 0.71 -0.50 0.58 -1.06 0.00 0.00 177.43 176.59 2vgg h VAL 134 N -0.97 0.00 -0.89 2.81 2.07 -0.47 0.88 116.25 119.68 2vgg h VAL 134 Ca -0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 2vgg h VAL 134 Cb 0.57 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.20 2vgg h VAL 134 CO 0.01 0.00 0.23 0.03 0.02 0.00 0.00 177.57 177.86 2vgg h ARG 135 N -0.23 0.18 -0.25 1.57 3.08 -1.27 0.38 114.38 117.83 2vgg h ARG 135 Ca 0.09 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2vgg h ARG 135 Cb 0.46 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2vgg h ARG 135 CO -0.62 0.12 -0.09 1.49 -1.07 0.00 0.00 179.97 179.80 2vgg h GLU 136 N 0.18 0.51 -0.35 0.04 4.81 0.18 -1.21 114.58 118.74 2vgg h GLU 136 Ca 0.57 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.62 2vgg h GLU 136 Cb 1.17 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2vgg h GLU 136 CO -0.68 0.74 0.17 0.00 -0.73 0.00 0.00 179.01 178.51 2vgg h ALA 137 N 0.75 0.43 0.37 2.92 0.00 0.26 -2.93 119.26 121.06 2vgg h ALA 137 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2vgg h ALA 137 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2vgg h ALA 137 CO 0.03 -0.21 -0.18 0.28 0.00 0.00 0.00 179.25 179.18 2vgg h VAL 138 N 0.35 0.64 0.00 0.00 2.07 -0.16 -2.50 116.25 116.65 2vgg h VAL 138 Ca 0.15 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2vgg h VAL 138 Cb 0.07 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2vgg h VAL 138 CO -0.11 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 176.89 2vgg n GLU 139 N -5.27 0.09 0.21 1.57 -0.58 -0.47 -1.74 120.64 114.45 2vgg n GLU 139 Ca -0.11 0.24 0.15 0.00 -0.42 0.00 0.00 57.16 57.02 2vgg n GLU 139 Cb 0.24 -1.50 0.59 0.00 -0.57 0.00 0.00 31.44 30.20 2vgg n GLU 139 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2vgg h SER 140 N 0.00 0.00 -0.02 1.62 4.64 -1.26 -2.23 113.55 116.30 2vgg h SER 140 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vgg h SER 140 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2vgg h SER 140 CO 0.00 0.00 -0.10 0.49 -0.87 0.00 0.00 176.83 176.35 2vgg n PHE 141 N -2.69 0.00 0.19 4.77 3.01 -0.71 -4.39 117.46 117.64 2vgg n PHE 141 Ca 0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.49 2vgg n PHE 141 Cb 0.28 -0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.84 2vgg n PHE 141 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vgg n ALA 142 N 1.01 1.49 0.40 4.37 0.00 -0.84 -2.78 120.51 124.16 2vgg n ALA 142 Ca 0.13 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.60 2vgg n ALA 142 Cb 0.56 -1.06 0.23 0.00 0.00 0.00 0.00 19.45 19.18 2vgg n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vgg n GLY 143 N -0.89 -0.71 2.96 0.00 0.00 -1.26 -4.13 105.19 101.17 2vgg n GLY 143 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2vgg n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vgg s SER 144 N -2.77 -0.06 0.59 1.61 0.01 -1.12 -5.02 113.70 106.95 2vgg s SER 144 Ca 0.07 -0.83 0.29 0.00 1.31 0.00 0.00 55.95 56.79 2vgg s SER 144 Cb 0.06 1.25 1.54 0.00 0.21 0.00 0.00 66.02 69.08 2vgg s SER 144 CO 0.16 -0.27 1.96 -0.65 0.41 0.00 0.00 173.24 174.85 2vgg h PRO 145 N 7.48 0.00 0.00 12.44 0.11 -1.85 0.99 132.00 151.17 2vgg h PRO 145 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 2vgg h PRO 145 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2vgg h PRO 145 CO 0.19 0.00 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.80 2vgg h LEU 146 N 0.00 0.00 -0.65 2.35 3.38 -1.95 -3.30 115.31 115.14 2vgg h LEU 146 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2vgg h LEU 146 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2vgg h LEU 146 CO -0.00 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 2vgg n SER 147 N -3.20 0.65 -4.68 -0.43 3.41 0.30 -4.68 113.62 104.99 2vgg n SER 147 Ca 0.01 -0.85 -0.51 0.00 -0.26 0.00 0.00 58.87 57.26 2vgg n SER 147 Cb 0.42 0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 2vgg n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vgg n TYR 148 N -0.23 2.24 -3.51 7.33 9.36 -0.91 -4.99 117.16 126.45 2vgg n TYR 148 Ca 0.00 0.12 -0.41 0.00 3.32 0.00 0.00 57.90 60.93 2vgg n TYR 148 Cb 0.02 -2.62 -0.10 0.00 -0.63 0.00 0.00 39.34 36.01 2vgg n TYR 148 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2vgg s ARG 149 N 4.12 3.29 1.04 2.98 0.52 -1.26 -4.77 118.95 124.85 2vgg s ARG 149 Ca 0.95 -0.79 -0.12 0.00 -0.52 0.00 0.00 55.73 55.24 2vgg s ARG 149 Cb -0.78 -3.86 0.21 0.00 0.52 0.00 0.00 34.95 31.04 2vgg s ARG 149 CO 0.55 -0.56 1.07 -2.14 0.02 0.00 0.00 175.30 174.24 2vgg s PRO 150 N 1.70 0.10 -0.13 3.54 0.02 -1.26 -5.00 135.00 133.97 2vgg s PRO 150 Ca 0.06 0.66 -0.06 0.00 0.02 0.00 0.00 61.00 61.67 2vgg s PRO 150 Cb -0.18 -1.69 0.06 0.00 0.02 0.00 0.00 34.50 32.71 2vgg s PRO 150 CO 0.10 -2.99 0.29 0.08 -0.33 0.00 0.00 177.00 174.15 2vgg s VAL 151 N -2.81 -0.22 0.74 3.83 1.01 -1.26 -4.94 120.40 116.75 2vgg s VAL 151 Ca 0.66 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 2vgg s VAL 151 Cb -0.20 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.75 2vgg s VAL 151 CO 0.60 0.08 1.09 0.00 0.00 0.00 0.00 175.10 176.87 2vgg s ALA 152 N 1.80 2.63 -0.14 5.51 0.00 0.48 -4.88 121.76 127.16 2vgg s ALA 152 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2vgg s ALA 152 Cb -0.11 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2vgg s ALA 152 CO -0.10 -1.37 -0.13 0.42 0.00 0.00 0.00 175.76 174.59 2vgg s ILE 153 N -3.25 1.44 -0.17 0.00 1.01 -1.26 -1.39 121.20 117.58 2vgg s ILE 153 Ca 0.59 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2vgg s ILE 153 Cb -0.13 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2vgg s ILE 153 CO 0.53 0.44 -0.14 0.00 0.00 0.00 0.00 174.94 175.76 2vgg s ALA 154 N 1.52 2.52 -0.19 9.38 0.00 0.28 -0.89 121.76 134.38 2vgg s ALA 154 Ca 0.05 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 2vgg s ALA 154 Cb -0.13 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 2vgg s ALA 154 CO -0.10 -0.15 0.67 -1.17 0.00 0.00 0.00 175.76 175.02 2vgg s LEU 155 N 1.00 4.15 -0.21 0.00 0.20 0.19 -0.44 118.68 123.58 2vgg s LEU 155 Ca -0.02 0.91 -0.06 0.00 0.69 0.00 0.00 54.13 55.65 2vgg s LEU 155 Cb -0.15 -2.97 -0.03 0.00 -0.43 0.00 0.00 46.19 42.61 2vgg s LEU 155 CO -0.03 -0.30 0.04 -0.62 -0.29 0.00 0.00 176.35 175.15 2vgg s ASP 156 N 1.18 5.14 0.41 3.68 -1.08 0.34 -0.53 116.67 125.80 2vgg s ASP 156 Ca 0.31 -0.12 -0.22 0.00 -0.52 0.00 0.00 52.55 51.99 2vgg s ASP 156 Cb -0.16 -1.89 -0.10 0.00 -1.46 0.00 0.00 42.92 39.31 2vgg s ASP 156 CO 0.11 0.07 0.97 -0.89 0.52 0.00 0.00 175.17 175.95 2vgg s THR 157 N 0.99 4.18 -0.04 1.71 2.01 -0.84 -0.87 115.64 122.78 2vgg s THR 157 Ca 0.03 1.49 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 2vgg s THR 157 Cb -0.14 -3.68 -0.18 0.00 0.01 0.00 0.00 72.50 68.51 2vgg s THR 157 CO 0.02 -0.17 1.07 0.50 -0.69 0.00 0.00 174.62 175.35 2vgg h LYS 158 N 2.21 -0.14 0.00 4.92 3.64 -1.93 -3.39 116.57 121.88 2vgg h LYS 158 Ca -0.48 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 2vgg h LYS 158 Cb 1.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2vgg h LYS 158 CO 0.62 0.33 -0.12 0.41 -2.27 0.00 0.00 179.45 178.42 2vgg n GLY 159 N 0.39 -1.26 2.32 5.01 0.00 -1.26 -4.04 105.19 106.36 2vgg n GLY 159 Ca -0.08 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 2vgg n GLY 159 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vgg n PRO 160 N -2.35 1.94 -2.02 1.61 -0.04 -1.26 -4.90 135.00 127.98 2vgg n PRO 160 Ca 0.00 -1.14 -0.32 0.00 -0.04 0.00 0.00 63.50 62.00 2vgg n PRO 160 Cb 0.15 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.45 2vgg n PRO 160 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2vgg s GLU 161 N 2.24 3.47 -0.04 0.54 2.02 -1.26 -5.03 118.70 120.64 2vgg s GLU 161 Ca 0.48 1.00 0.07 0.00 0.02 0.00 0.00 54.97 56.54 2vgg s GLU 161 Cb 0.18 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 2vgg s GLU 161 CO -0.02 -0.67 -0.25 0.42 0.02 0.00 0.00 175.26 174.76 2vgg s ILE 162 N -2.75 2.02 0.01 -1.63 1.01 -1.26 -4.92 121.20 113.68 2vgg s ILE 162 Ca 0.60 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2vgg s ILE 162 Cb -0.13 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2vgg s ILE 162 CO 0.42 0.57 0.06 -0.13 0.00 0.00 0.00 174.94 175.85 2vgg s ARG 163 N -0.36 0.38 0.90 2.79 0.52 -1.26 -0.87 118.95 121.05 2vgg s ARG 163 Ca 0.03 -0.45 -0.13 0.00 -0.52 0.00 0.00 55.73 54.65 2vgg s ARG 163 Cb -0.12 0.15 0.14 0.00 0.52 0.00 0.00 34.95 35.64 2vgg s ARG 163 CO 0.01 -0.08 1.19 0.95 0.02 0.00 0.00 175.30 177.39 2vgg s THR 164 N -1.30 1.97 0.88 0.02 -4.23 -0.68 -0.55 115.64 111.74 2vgg s THR 164 Ca -0.14 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 2vgg s THR 164 Cb -0.08 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 71.05 2vgg s THR 164 CO 0.00 0.00 1.22 -0.83 -0.54 0.00 0.00 174.62 174.47 2vgg s GLY 165 N -4.40 1.75 0.55 3.99 0.00 -0.88 -3.76 107.32 104.57 2vgg s GLY 165 Ca 0.66 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.92 2vgg s GLY 165 CO 0.52 -0.58 1.23 -0.42 0.00 0.00 0.00 173.10 173.85 2vgg s ILE 166 N -3.65 2.66 0.25 0.90 1.09 -1.25 -1.18 121.20 120.01 2vgg s ILE 166 Ca 0.70 0.45 -0.22 0.00 -1.10 0.00 0.00 60.65 60.48 2vgg s ILE 166 Cb -0.05 -3.20 -0.09 0.00 -1.06 0.00 0.00 42.46 38.06 2vgg s ILE 166 CO 0.50 -0.05 0.80 -0.76 -0.10 0.00 0.00 174.94 175.32 2vgg s LEU 167 N -3.68 4.35 -0.99 2.97 1.02 -1.25 -4.38 118.68 116.72 2vgg s LEU 167 Ca 0.73 1.56 -0.17 0.00 0.02 0.00 0.00 54.13 56.26 2vgg s LEU 167 Cb -0.32 -3.71 -0.29 0.00 0.02 0.00 0.00 46.19 41.89 2vgg s LEU 167 CO 0.36 0.01 2.34 1.67 0.02 0.00 0.00 176.35 180.75 2vgg n GLN 168 N 0.70 0.03 0.00 1.70 7.27 -1.18 -1.08 117.38 124.82 2vgg n GLN 168 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2vgg n GLN 168 Cb 0.51 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.87 2vgg n GLN 168 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vgg n GLY 169 N 5.87 0.68 3.33 1.69 0.00 -1.26 -4.84 105.19 110.67 2vgg n GLY 169 Ca 0.66 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.22 2vgg n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vgg s GLY 170 N -1.90 2.54 0.10 -0.02 0.00 -0.24 -4.86 107.32 102.95 2vgg s GLY 170 Ca 0.00 -3.16 -0.15 0.00 0.00 0.00 0.00 44.72 41.40 2vgg s GLY 170 CO 0.00 1.27 1.47 -2.55 0.00 0.00 0.00 173.10 173.29 2vgg h PRO 171 N 8.01 0.67 -0.44 2.90 0.11 -1.89 -2.88 132.00 138.49 2vgg h PRO 171 Ca 0.03 -0.30 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 2vgg h PRO 171 Cb 1.05 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2vgg h PRO 171 CO 0.81 0.89 0.05 0.39 -0.21 0.00 0.00 178.00 179.94 2vgg n GLU 172 N -4.36 3.42 -3.01 1.05 4.71 -1.26 -4.54 120.64 116.65 2vgg n GLU 172 Ca -0.03 -3.01 -0.19 0.00 -0.01 0.00 0.00 57.16 53.92 2vgg n GLU 172 Cb 0.39 -2.02 0.04 0.00 -1.01 0.00 0.00 31.44 28.84 2vgg n GLU 172 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2vgg n SER 173 N -0.25 2.09 -3.89 1.62 3.41 -1.09 -5.08 113.62 110.43 2vgg n SER 173 Ca 0.28 -2.47 -0.09 0.00 -0.26 0.00 0.00 58.87 56.34 2vgg n SER 173 Cb 1.09 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 2vgg n SER 173 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2vgg s GLU 174 N -4.23 0.79 0.11 4.33 2.02 -1.26 -4.32 118.70 116.14 2vgg s GLU 174 Ca 0.46 -0.95 0.08 0.00 0.02 0.00 0.00 54.97 54.58 2vgg s GLU 174 Cb -0.04 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 2vgg s GLU 174 CO 0.29 -0.24 -0.20 0.08 0.02 0.00 0.00 175.26 175.21 2vgg s VAL 175 N -3.68 1.72 -0.20 2.63 1.01 -0.45 -4.96 120.40 116.46 2vgg s VAL 175 Ca 0.04 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.33 2vgg s VAL 175 Cb 0.04 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2vgg s VAL 175 CO -0.10 -0.10 0.10 -0.70 0.00 0.00 0.00 175.10 174.30 2vgg s GLU 176 N -2.04 4.06 -0.25 2.72 2.12 -1.26 -0.20 118.70 123.84 2vgg s GLU 176 Ca 0.08 -0.29 -0.10 0.00 0.36 0.00 0.00 54.97 55.02 2vgg s GLU 176 Cb -0.09 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2vgg s GLU 176 CO 0.05 0.25 0.15 -0.51 -0.54 0.00 0.00 175.26 174.65 2vgg s LEU 177 N 0.48 3.92 -0.20 2.70 1.43 -0.53 -4.72 118.68 121.76 2vgg s LEU 177 Ca 0.06 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 2vgg s LEU 177 Cb -0.12 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2vgg s LEU 177 CO -0.00 0.01 0.10 -0.69 0.23 0.00 0.00 176.35 176.00 2vgg s VAL 178 N 1.39 5.09 -0.16 -1.59 1.01 -1.26 -1.28 120.40 123.61 2vgg s VAL 178 Ca 0.07 0.08 -0.40 0.00 0.00 0.00 0.00 61.98 61.73 2vgg s VAL 178 Cb -0.15 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.74 2vgg s VAL 178 CO 0.07 0.43 1.54 1.17 0.00 0.00 0.00 175.10 178.31 2vgg n LYS 179 N 3.72 0.95 0.00 2.72 4.81 -1.26 -1.63 118.16 127.46 2vgg n LYS 179 Ca -0.16 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2vgg n LYS 179 Cb 0.52 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2vgg n LYS 179 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vgg n GLY 180 N 3.40 1.00 3.82 3.14 0.00 -0.90 -5.04 105.19 110.61 2vgg n GLY 180 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 2vgg n GLY 180 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vgg n SER 181 N 0.00 1.16 -4.43 1.61 3.41 -0.65 -4.79 113.62 109.93 2vgg n SER 181 Ca 0.00 -2.03 -0.38 0.00 -0.26 0.00 0.00 58.87 56.20 2vgg n SER 181 Cb 0.00 -0.69 -0.12 0.00 -0.26 0.00 0.00 64.21 63.14 2vgg n SER 181 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2vgg s GLN 182 N -5.18 3.42 0.09 4.33 1.11 -1.26 -1.44 119.66 120.73 2vgg s GLN 182 Ca 0.66 -0.65 0.05 0.00 0.01 0.00 0.00 55.36 55.43 2vgg s GLN 182 Cb -0.03 -3.44 -0.04 0.00 -1.01 0.00 0.00 33.01 28.48 2vgg s GLN 182 CO 0.44 -0.33 -0.00 0.08 0.01 0.00 0.00 175.29 175.49 2vgg s VAL 183 N 1.60 4.01 -0.14 1.09 1.01 0.98 -4.71 120.40 124.24 2vgg s VAL 183 Ca 0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 2vgg s VAL 183 Cb -0.16 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2vgg s VAL 183 CO 0.05 0.12 -0.07 -0.22 0.00 0.00 0.00 175.10 174.97 2vgg s LEU 184 N -2.32 3.03 -0.23 3.92 2.96 0.53 -0.18 118.68 126.40 2vgg s LEU 184 Ca 0.26 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.81 2vgg s LEU 184 Cb -0.12 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2vgg s LEU 184 CO 0.18 0.17 0.37 -0.69 -1.32 0.00 0.00 176.35 175.07 2vgg s VAL 185 N 0.35 5.20 -0.07 1.68 1.01 -0.39 -1.33 120.40 126.86 2vgg s VAL 185 Ca -0.07 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.57 2vgg s VAL 185 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2vgg s VAL 185 CO 0.04 0.23 -0.18 0.42 0.00 0.00 0.00 175.10 175.61 2vgg s THR 186 N 1.55 1.56 -1.83 3.92 -4.23 -0.62 -0.53 115.64 115.46 2vgg s THR 186 Ca 0.17 -0.74 0.26 0.00 -1.18 0.00 0.00 61.69 60.20 2vgg s THR 186 Cb -0.15 -1.37 0.27 0.00 1.34 0.00 0.00 72.50 72.59 2vgg s THR 186 CO 0.08 0.45 1.54 1.33 -0.54 0.00 0.00 174.62 177.48 2vgg n VAL 187 N 3.54 0.00 -1.59 2.29 0.24 -1.26 -1.62 118.33 119.93 2vgg n VAL 187 Ca -0.20 -0.15 -0.44 0.00 -2.04 0.00 0.00 64.34 61.51 2vgg n VAL 187 Cb 0.52 0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 33.33 2vgg n VAL 187 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2vgg n ASP 188 N -0.53 3.28 -0.35 -1.34 2.03 -1.26 -4.85 116.55 113.52 2vgg n ASP 188 Ca 0.12 0.36 0.24 0.00 0.52 0.00 0.00 54.79 56.04 2vgg n ASP 188 Cb 0.36 -1.51 0.50 0.00 -0.72 0.00 0.00 41.12 39.75 2vgg n ASP 188 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2vgg h PRO 189 N 13.87 0.36 -0.95 -0.67 0.13 -1.97 0.76 132.00 143.53 2vgg h PRO 189 Ca -0.41 -0.02 0.19 0.00 -0.87 0.00 0.00 66.00 64.89 2vgg h PRO 189 Cb 1.25 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2vgg h PRO 189 CO 0.96 0.24 0.61 0.00 -0.23 0.00 0.00 178.00 179.58 2vgg h ALA 190 N 1.66 1.98 -0.47 -0.56 0.00 -2.00 0.25 119.26 120.12 2vgg h ALA 190 Ca 0.65 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2vgg h ALA 190 Cb 1.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2vgg h ALA 190 CO -0.38 -0.29 0.00 1.19 0.00 0.00 0.00 179.25 179.76 2vgg n PHE 191 N -4.61 1.08 -0.31 0.00 3.01 0.26 -4.46 117.46 112.43 2vgg n PHE 191 Ca 0.21 -0.43 0.19 0.00 1.01 0.00 0.00 57.45 58.43 2vgg n PHE 191 Cb 0.64 -0.19 0.35 0.00 -0.01 0.00 0.00 39.48 40.27 2vgg n PHE 191 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2vgg n ARG 192 N 0.75 -0.07 -0.03 -1.08 0.63 0.86 -2.27 116.66 115.46 2vgg n ARG 192 Ca 0.19 1.34 0.01 0.00 -0.92 0.00 0.00 57.85 58.46 2vgg n ARG 192 Cb 0.67 -2.21 0.01 0.00 0.45 0.00 0.00 32.46 31.39 2vgg n ARG 192 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2vgg n THR 193 N -5.26 0.72 -0.89 5.15 5.66 -1.26 -3.96 114.28 114.43 2vgg n THR 193 Ca 0.26 -0.75 -0.18 0.00 -3.05 0.00 0.00 64.05 60.33 2vgg n THR 193 Cb 0.85 0.59 0.18 0.00 -1.55 0.00 0.00 70.33 70.41 2vgg n THR 193 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2vgg n ARG 194 N -0.40 2.35 -2.57 1.09 1.74 -0.96 -4.13 116.66 113.77 2vgg n ARG 194 Ca 0.01 -2.61 -0.35 0.00 -0.77 0.00 0.00 57.85 54.13 2vgg n ARG 194 Cb 0.38 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 2vgg n ARG 194 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2vgg s GLY 195 N -0.95 2.62 0.32 -0.13 0.00 -1.26 -4.92 107.32 103.01 2vgg s GLY 195 Ca 0.49 0.64 -0.11 0.00 0.00 0.00 0.00 44.72 45.73 2vgg s GLY 195 CO 0.10 1.01 0.63 1.16 0.00 0.00 0.00 173.10 176.00 2vgg n ASN 196 N -0.46 -1.83 0.05 1.64 0.23 1.00 -3.13 115.26 112.75 2vgg n ASN 196 Ca 0.07 -2.34 0.22 0.00 -0.53 0.00 0.00 54.58 51.99 2vgg n ASN 196 Cb 0.51 3.07 0.68 0.00 -2.08 0.00 0.00 39.78 41.97 2vgg n ASN 196 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vgg h ALA 197 N 1.99 2.24 -0.02 -2.53 0.00 -1.96 0.46 119.26 119.44 2vgg h ALA 197 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2vgg h ALA 197 Cb 1.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2vgg h ALA 197 CO 0.35 -0.86 0.00 0.09 0.00 0.00 0.00 179.25 178.83 2vgg n ASN 198 N -3.55 1.47 -3.69 0.00 3.02 -1.26 -4.73 115.26 106.52 2vgg n ASN 198 Ca 0.10 -1.35 -0.21 0.00 -0.03 0.00 0.00 54.58 53.08 2vgg n ASN 198 Cb 0.79 -0.01 -0.18 0.00 -0.61 0.00 0.00 39.78 39.77 2vgg n ASN 198 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2vgg s THR 199 N -0.42 0.03 -0.11 3.41 2.01 0.15 -0.35 115.64 120.37 2vgg s THR 199 Ca 0.03 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.36 2vgg s THR 199 Cb 0.02 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.25 2vgg s THR 199 CO 0.03 0.17 -0.20 0.68 -0.69 0.00 0.00 174.62 174.61 2vgg s VAL 200 N 2.11 1.79 0.03 3.82 -7.23 -0.44 -0.00 120.40 120.48 2vgg s VAL 200 Ca 0.05 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 2vgg s VAL 200 Cb -0.12 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2vgg s VAL 200 CO -0.04 0.50 0.21 0.86 -0.31 0.00 0.00 175.10 176.32 2vgg s TRP 201 N 0.68 3.54 0.08 2.82 -0.00 -1.26 -1.59 118.94 123.21 2vgg s TRP 201 Ca -0.12 0.34 0.05 0.00 -0.00 0.00 0.00 56.10 56.37 2vgg s TRP 201 Cb -0.16 -1.82 -0.03 0.00 -0.00 0.00 0.00 33.47 31.46 2vgg s TRP 201 CO 0.03 0.61 -0.13 0.54 -0.00 0.00 0.00 176.95 177.99 2vgg s VAL 202 N -1.41 1.08 -2.23 5.86 0.11 -0.64 -2.08 120.40 121.09 2vgg s VAL 202 Ca 0.31 -1.35 0.20 0.00 -2.93 0.00 0.00 61.98 58.21 2vgg s VAL 202 Cb -0.13 -1.10 0.44 0.00 -1.53 0.00 0.00 36.38 34.07 2vgg s VAL 202 CO 0.23 -0.27 1.44 -0.90 -3.33 0.00 0.00 175.10 172.26 2vgg n ASP 203 N 1.18 2.57 -4.16 3.54 3.85 0.28 -4.55 116.55 119.25 2vgg n ASP 203 Ca -0.20 -1.90 -0.39 0.00 -0.71 0.00 0.00 54.79 51.59 2vgg n ASP 203 Cb 0.55 -0.23 -0.09 0.00 -1.35 0.00 0.00 41.12 39.99 2vgg n ASP 203 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2vgg s TYR 204 N -1.53 3.49 0.16 2.11 5.04 -1.26 -4.93 117.35 120.43 2vgg s TYR 204 Ca 0.35 -2.31 -0.26 0.00 -2.44 0.00 0.00 57.07 52.41 2vgg s TYR 204 Cb 0.19 -3.37 0.02 0.00 0.35 0.00 0.00 41.96 39.15 2vgg s TYR 204 CO 0.27 -0.94 1.58 -1.35 -1.34 0.00 0.00 175.55 173.77 2vgg h PRO 205 N 7.79 -0.30 0.00 4.97 0.11 -1.92 -1.96 132.00 140.69 2vgg h PRO 205 Ca -0.09 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2vgg h PRO 205 Cb 1.02 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2vgg h PRO 205 CO 0.76 -0.20 0.07 0.09 -0.21 0.00 0.00 178.00 178.51 2vgg n ASN 206 N -5.42 0.19 -0.36 -2.05 3.02 -1.26 -3.11 115.26 106.27 2vgg n ASN 206 Ca -0.00 0.54 0.27 0.00 -0.03 0.00 0.00 54.58 55.36 2vgg n ASN 206 Cb 0.35 -0.56 0.55 0.00 -0.61 0.00 0.00 39.78 39.51 2vgg n ASN 206 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2vgg h ILE 207 N 0.00 0.37 0.00 2.41 2.10 -1.79 0.87 117.51 121.47 2vgg h ILE 207 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2vgg h ILE 207 Cb 0.13 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 35.93 2vgg h ILE 207 CO 0.00 0.05 0.00 1.33 -1.08 0.00 0.00 178.15 178.45 2vgg n VAL 208 N -4.69 0.61 0.65 2.19 0.24 -1.18 -1.52 118.33 114.63 2vgg n VAL 208 Ca 0.30 0.10 0.07 0.00 -2.04 0.00 0.00 64.34 62.77 2vgg n VAL 208 Cb 1.07 -0.82 0.01 0.00 -1.47 0.00 0.00 33.84 32.63 2vgg n VAL 208 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2vgg n ARG 209 N -1.72 1.65 -0.02 7.34 0.63 0.30 -4.67 116.66 120.18 2vgg n ARG 209 Ca 0.05 -0.89 -0.01 0.00 -0.92 0.00 0.00 57.85 56.07 2vgg n ARG 209 Cb 0.27 -1.24 -0.03 0.00 0.45 0.00 0.00 32.46 31.90 2vgg n ARG 209 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2vgg n VAL 210 N 0.05 0.23 -2.98 5.15 0.31 -0.88 -4.95 118.33 115.25 2vgg n VAL 210 Ca 0.07 -0.15 -0.43 0.00 -0.01 0.00 0.00 64.34 63.81 2vgg n VAL 210 Cb 0.32 -0.76 -0.05 0.00 -0.91 0.00 0.00 33.84 32.45 2vgg n VAL 210 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2vgg s VAL 211 N -2.11 4.62 0.81 2.52 1.01 -0.57 -4.75 120.40 121.92 2vgg s VAL 211 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2vgg s VAL 211 Cb 0.01 -4.41 0.08 0.00 0.00 0.00 0.00 36.38 32.05 2vgg s VAL 211 CO 0.16 -0.94 1.13 -2.84 0.00 0.00 0.00 175.10 172.61 2vgg s PRO 212 N 3.34 2.01 0.32 2.72 0.02 -1.26 -4.87 135.00 137.28 2vgg s PRO 212 Ca 0.24 0.35 -0.29 0.00 0.02 0.00 0.00 61.00 61.32 2vgg s PRO 212 Cb -0.15 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 2vgg s PRO 212 CO 0.17 -1.61 1.41 0.28 -0.33 0.00 0.00 177.00 176.91 2vgg n VAL 213 N -3.37 1.64 -1.00 3.83 0.31 -1.26 -0.72 118.33 117.75 2vgg n VAL 213 Ca 0.07 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2vgg n VAL 213 Cb 0.59 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2vgg n VAL 213 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vgg n GLY 214 N 1.20 0.72 3.85 2.92 0.00 0.45 -5.00 105.19 109.34 2vgg n GLY 214 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2vgg n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vgg s GLY 215 N -2.00 2.42 -0.12 -0.02 0.00 0.10 -4.80 107.32 102.90 2vgg s GLY 215 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 44.72 44.43 2vgg s GLY 215 CO 0.00 0.04 0.15 -1.60 0.00 0.00 0.00 173.10 171.69 2vgg s ARG 216 N -1.90 3.46 -0.07 2.90 3.52 -1.26 -0.74 118.95 124.86 2vgg s ARG 216 Ca 0.35 -0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.88 2vgg s ARG 216 Cb -0.15 -3.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2vgg s ARG 216 CO 0.19 0.77 -0.19 0.42 -0.81 0.00 0.00 175.30 175.68 2vgg s ILE 217 N -1.02 1.64 -0.06 4.11 1.01 0.98 -4.37 121.20 123.49 2vgg s ILE 217 Ca 0.15 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.02 2vgg s ILE 217 Cb -0.12 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2vgg s ILE 217 CO 0.04 0.47 -0.13 -0.31 0.00 0.00 0.00 174.94 175.01 2vgg s TYR 218 N 0.21 2.74 0.06 3.97 1.51 -0.97 -0.15 117.35 124.72 2vgg s TYR 218 Ca -0.10 -0.18 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 2vgg s TYR 218 Cb -0.14 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 2vgg s TYR 218 CO 0.05 0.17 -0.18 0.42 -1.11 0.00 0.00 175.55 174.90 2vgg s ILE 219 N -0.65 1.46 -0.55 2.71 1.01 0.62 -1.97 121.20 123.83 2vgg s ILE 219 Ca 0.10 -1.27 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 2vgg s ILE 219 Cb -0.11 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.06 2vgg s ILE 219 CO 0.01 0.01 0.64 -0.67 0.00 0.00 0.00 174.94 174.93 2vgg n ASP 220 N 1.54 -7.64 -1.32 3.58 2.03 -0.51 -0.59 116.55 113.65 2vgg n ASP 220 Ca -0.19 0.24 -0.16 0.00 0.52 0.00 0.00 54.79 55.21 2vgg n ASP 220 Cb 0.54 -5.00 -0.05 0.00 -0.72 0.00 0.00 41.12 35.89 2vgg n ASP 220 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2vgg n ASP 221 N -0.85 -4.83 0.00 1.67 2.03 -1.26 -1.13 116.55 112.18 2vgg n ASP 221 Ca 0.05 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2vgg n ASP 221 Cb 0.50 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.14 2vgg n ASP 221 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vgg n GLY 222 N -1.06 0.67 0.18 0.27 0.00 -1.24 -4.89 105.19 99.13 2vgg n GLY 222 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2vgg n GLY 222 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2vgg h LEU 223 N 0.00 0.00 -9.32 0.99 3.38 -1.08 -3.45 115.31 105.83 2vgg h LEU 223 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2vgg h LEU 223 Cb 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.64 2vgg h LEU 223 CO 0.00 0.27 -0.67 -0.63 0.09 0.00 0.00 178.44 177.49 2vgg s ILE 224 N -3.16 3.91 -0.05 1.22 -1.09 0.25 -4.66 121.20 117.62 2vgg s ILE 224 Ca 0.05 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2vgg s ILE 224 Cb 0.07 -2.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.23 2vgg s ILE 224 CO 0.70 0.32 0.10 -0.55 -1.23 0.00 0.00 174.94 174.28 2vgg s SER 225 N -1.67 0.22 -0.02 3.58 0.15 0.17 -0.28 113.70 115.84 2vgg s SER 225 Ca 0.20 0.18 0.05 0.00 0.70 0.00 0.00 55.95 57.08 2vgg s SER 225 Cb -0.11 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 2vgg s SER 225 CO 0.11 -0.17 -0.17 -0.76 1.20 0.00 0.00 173.24 173.45 2vgg s LEU 226 N 1.41 2.61 -0.18 3.45 1.43 0.79 0.98 118.68 129.17 2vgg s LEU 226 Ca -0.06 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2vgg s LEU 226 Cb -0.12 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2vgg s LEU 226 CO -0.04 0.32 0.04 -0.69 0.23 0.00 0.00 176.35 176.20 2vgg s VAL 227 N -0.77 4.53 -0.28 -1.59 1.01 -0.81 -0.01 120.40 122.48 2vgg s VAL 227 Ca 0.12 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 2vgg s VAL 227 Cb -0.10 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2vgg s VAL 227 CO 0.02 0.46 0.74 -0.69 0.00 0.00 0.00 175.10 175.63 2vgg s VAL 228 N 0.46 4.86 -0.16 2.92 1.01 0.08 -0.77 120.40 128.80 2vgg s VAL 228 Ca 0.01 1.20 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2vgg s VAL 228 Cb -0.13 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.02 2vgg s VAL 228 CO 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 175.10 174.92 2vgg n GLN 229 N 6.02 1.15 -4.02 2.72 10.64 -0.76 0.17 117.38 133.30 2vgg n GLN 229 Ca 0.03 0.04 -0.28 0.00 -1.83 0.00 0.00 57.00 54.96 2vgg n GLN 229 Cb 0.48 -1.36 -0.17 0.00 -0.86 0.00 0.00 30.24 28.33 2vgg n GLN 229 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2vgg s LYS 230 N -2.35 1.91 0.80 2.61 -0.14 -0.77 -4.80 119.74 117.01 2vgg s LYS 230 Ca -0.15 -0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 53.94 2vgg s LYS 230 Cb 0.05 -1.82 0.07 0.00 -1.68 0.00 0.00 37.83 34.45 2vgg s LYS 230 CO 0.51 -0.23 1.09 -1.50 -0.76 0.00 0.00 175.35 174.46 2vgg s ILE 231 N 1.52 3.15 -0.28 2.17 -1.16 -1.26 0.08 121.20 125.43 2vgg s ILE 231 Ca 0.03 0.37 -0.29 0.00 -0.51 0.00 0.00 60.65 60.26 2vgg s ILE 231 Cb -0.13 -3.00 0.19 0.00 0.61 0.00 0.00 42.46 40.13 2vgg s ILE 231 CO -0.08 -0.49 1.35 -0.83 -2.81 0.00 0.00 174.94 172.07 2vgg s GLY 232 N -3.67 0.08 0.07 1.50 0.00 -1.15 -4.78 107.32 99.38 2vgg s GLY 232 Ca 0.61 2.83 0.05 0.00 0.00 0.00 0.00 44.72 48.20 2vgg s GLY 232 CO 0.55 1.13 1.13 -1.05 0.00 0.00 0.00 173.10 174.87 2vgg n PRO 233 N 0.57 0.03 -2.31 2.90 -0.02 -1.26 -0.93 135.00 133.98 2vgg n PRO 233 Ca -0.01 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2vgg n PRO 233 Cb 0.59 -1.62 0.04 0.00 -0.02 0.00 0.00 33.50 32.48 2vgg n PRO 233 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2vgg n GLU 234 N -1.65 1.05 0.00 -0.52 -0.00 -1.26 -5.13 120.64 113.13 2vgg n GLU 234 Ca -0.00 -2.85 0.00 0.00 -0.00 0.00 0.00 57.16 54.31 2vgg n GLU 234 Cb 0.03 -0.92 0.00 0.00 -0.00 0.00 0.00 31.44 30.54 2vgg n GLU 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vgg n GLY 235 N -0.21 1.09 3.70 -1.84 0.00 -0.11 -4.72 105.19 103.10 2vgg n GLY 235 Ca 0.05 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 2vgg n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vgg s LEU 236 N 0.00 4.24 -0.64 0.99 1.43 0.31 -2.92 118.68 122.09 2vgg s LEU 236 Ca 0.00 0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 53.80 2vgg s LEU 236 Cb 0.00 -2.81 0.13 0.00 0.03 0.00 0.00 46.19 43.54 2vgg s LEU 236 CO 0.00 -0.10 0.70 -0.69 0.23 0.00 0.00 176.35 176.48 2vgg s VAL 237 N 1.06 5.03 0.12 -1.59 1.01 0.11 -1.26 120.40 124.88 2vgg s VAL 237 Ca 0.29 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 2vgg s VAL 237 Cb -0.16 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2vgg s VAL 237 CO 0.12 -1.08 0.30 0.42 0.00 0.00 0.00 175.10 174.85 2vgg s THR 238 N 2.04 5.29 -0.22 3.92 -4.23 0.74 -1.82 115.64 121.36 2vgg s THR 238 Ca 0.12 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.27 2vgg s THR 238 Cb -0.22 -3.67 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 2vgg s THR 238 CO 0.02 0.01 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.47 2vgg s GLN 239 N -2.83 3.30 -0.18 3.99 0.74 0.05 -0.01 119.66 124.72 2vgg s GLN 239 Ca 0.37 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 2vgg s GLN 239 Cb -0.12 -2.96 -0.07 0.00 1.10 0.00 0.00 33.01 30.96 2vgg s GLN 239 CO 0.27 -0.21 2.16 0.28 -0.55 0.00 0.00 175.29 177.25 2vgg n VAL 240 N 4.77 0.41 0.01 1.34 0.31 -0.52 -1.92 118.33 122.74 2vgg n VAL 240 Ca -0.18 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.64 2vgg n VAL 240 Cb 0.50 -2.41 -0.14 0.00 -0.91 0.00 0.00 33.84 30.89 2vgg n VAL 240 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2vgg h GLU 241 N 13.80 0.11 -4.31 5.55 4.81 0.29 -2.39 114.58 132.44 2vgg h GLU 241 Ca -0.42 -0.19 -0.49 0.00 -0.13 0.00 0.00 59.36 58.13 2vgg h GLU 241 Cb 1.25 0.07 -0.35 0.00 0.63 0.00 0.00 28.75 30.36 2vgg h GLU 241 CO 0.96 0.83 -0.80 -0.80 -0.73 0.00 0.00 179.01 178.47 2vgg s ASN 242 N -6.55 1.68 0.58 1.04 0.01 -0.34 -4.90 114.94 106.46 2vgg s ASN 242 Ca -0.09 -0.25 0.09 0.00 -0.71 0.00 0.00 52.86 51.90 2vgg s ASN 242 Cb 0.08 -0.73 0.08 0.00 0.41 0.00 0.00 41.25 41.09 2vgg s ASN 242 CO 0.82 -0.04 0.74 -0.83 -1.51 0.00 0.00 177.10 176.28 2vgg s GLY 243 N 1.04 1.83 0.00 0.66 0.00 -1.26 -0.66 107.32 108.94 2vgg s GLY 243 Ca -0.08 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.63 2vgg s GLY 243 CO -0.01 -1.74 0.00 0.61 0.00 0.00 0.00 173.10 171.96 2vgg n GLY 244 N -2.19 -2.12 3.57 0.20 0.00 -0.41 -4.76 105.19 99.49 2vgg n GLY 244 Ca 0.13 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2vgg n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 245 N -1.94 3.77 0.05 1.61 1.01 -1.26 -1.46 120.40 122.17 2vgg s VAL 245 Ca 0.00 0.62 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2vgg s VAL 245 Cb 0.00 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 2vgg s VAL 245 CO 0.00 -1.27 0.60 -0.22 0.00 0.00 0.00 175.10 174.20 2vgg s LEU 246 N 6.12 4.49 0.00 3.92 2.96 0.72 -4.92 118.68 131.97 2vgg s LEU 246 Ca 0.50 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 2vgg s LEU 246 Cb -0.10 -2.94 0.01 0.00 0.50 0.00 0.00 46.19 43.66 2vgg s LEU 246 CO 0.23 0.20 0.06 0.61 -1.32 0.00 0.00 176.35 176.13 2vgg n GLY 247 N 2.01 3.50 3.74 7.98 0.00 -1.26 -1.35 105.19 119.81 2vgg n GLY 247 Ca -0.09 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 2vgg n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vgg s SER 248 N -1.97 7.56 -1.18 1.61 0.01 -1.26 -4.46 113.70 114.01 2vgg s SER 248 Ca 0.05 1.85 -0.01 0.00 1.31 0.00 0.00 55.95 59.15 2vgg s SER 248 Cb -0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2vgg s SER 248 CO 0.03 0.08 0.98 0.54 0.41 0.00 0.00 173.24 175.28 2vgg n ARG 249 N 1.99 -5.84 -4.03 12.44 1.74 -0.33 -4.96 116.66 117.68 2vgg n ARG 249 Ca -0.01 0.85 -0.29 0.00 -0.77 0.00 0.00 57.85 57.63 2vgg n ARG 249 Cb 0.48 -5.85 -0.06 0.00 -1.02 0.00 0.00 32.46 26.01 2vgg n ARG 249 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2vgg s LYS 250 N -5.20 3.02 0.53 5.56 1.02 -1.26 -4.67 119.74 118.74 2vgg s LYS 250 Ca 0.08 -0.68 -0.20 0.00 0.02 0.00 0.00 55.97 55.19 2vgg s LYS 250 Cb -0.01 -2.78 -0.06 0.00 -0.52 0.00 0.00 37.83 34.46 2vgg s LYS 250 CO 0.73 0.55 1.15 0.20 -0.92 0.00 0.00 175.35 177.07 2vgg s GLY 251 N -2.62 2.69 0.09 -3.33 0.00 -1.26 -1.69 107.32 101.20 2vgg s GLY 251 Ca 0.31 0.88 0.08 0.00 0.00 0.00 0.00 44.72 45.99 2vgg s GLY 251 CO 0.24 1.27 -0.20 0.14 0.00 0.00 0.00 173.10 174.55 2vgg s VAL 252 N -1.68 1.62 -0.03 1.40 1.01 -0.05 -1.42 120.40 121.24 2vgg s VAL 252 Ca 0.71 -1.46 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2vgg s VAL 252 Cb -0.26 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2vgg s VAL 252 CO 0.30 -0.05 -0.07 0.20 0.00 0.00 0.00 175.10 175.48 2vgg s ASN 253 N -1.79 0.99 -0.88 3.32 0.01 -0.83 -4.38 114.94 111.38 2vgg s ASN 253 Ca 0.05 -0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 52.05 2vgg s ASN 253 Cb -0.10 -0.31 0.22 0.00 0.41 0.00 0.00 41.25 41.47 2vgg s ASN 253 CO 0.04 0.03 0.78 0.18 -1.51 0.00 0.00 177.10 176.62 2vgg n LEU 254 N 3.47 4.15 -4.75 0.60 4.77 -1.26 -2.30 117.00 121.68 2vgg n LEU 254 Ca -0.20 -5.16 -0.33 0.00 -0.03 0.00 0.00 56.01 50.30 2vgg n LEU 254 Cb 0.54 -1.05 0.08 0.00 -2.33 0.00 0.00 43.42 40.65 2vgg n LEU 254 CO 0.24 1.61 0.73 -2.84 -1.33 0.00 0.00 177.39 175.81 2vgg s PRO 255 N -1.51 2.42 0.00 3.23 0.02 -1.26 -2.39 135.00 135.51 2vgg s PRO 255 Ca 0.28 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.70 2vgg s PRO 255 Cb -0.05 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2vgg s PRO 255 CO -0.12 -1.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 2vgg n GLY 256 N -0.51 0.37 3.66 0.52 0.00 -1.26 -4.82 105.19 103.15 2vgg n GLY 256 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2vgg n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vgg s ALA 257 N 0.00 3.60 0.04 4.61 0.00 -1.01 -5.03 121.76 123.97 2vgg s ALA 257 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2vgg s ALA 257 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2vgg s ALA 257 CO 0.00 -0.88 0.99 1.14 0.00 0.00 0.00 175.76 177.02 2vgg s GLN 258 N 2.73 4.58 -0.49 0.00 -2.07 -1.26 -4.77 119.66 118.39 2vgg s GLN 258 Ca 0.41 1.46 -0.13 0.00 -1.82 0.00 0.00 55.36 55.28 2vgg s GLN 258 Cb -0.16 -3.43 0.10 0.00 -1.09 0.00 0.00 33.01 28.44 2vgg s GLN 258 CO 0.09 0.00 0.40 0.08 -1.32 0.00 0.00 175.29 174.55 2vgg s VAL 259 N 0.74 4.87 -1.47 3.63 1.01 -1.26 -4.91 120.40 123.01 2vgg s VAL 259 Ca 0.51 -1.42 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2vgg s VAL 259 Cb -0.22 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.22 2vgg s VAL 259 CO 0.29 -0.71 1.04 -0.90 0.00 0.00 0.00 175.10 174.81 2vgg n ASP 260 N 5.12 0.00 -4.65 3.32 5.75 -1.26 -4.69 116.55 120.14 2vgg n ASP 260 Ca -0.12 0.17 -0.50 0.00 -0.01 0.00 0.00 54.79 54.33 2vgg n ASP 260 Cb 0.42 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.19 2vgg n ASP 260 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2vgg n LEU 261 N -1.27 2.57 -4.76 -2.12 7.94 -1.26 -4.93 117.00 113.18 2vgg n LEU 261 Ca 0.03 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.63 2vgg n LEU 261 Cb 0.05 -1.30 0.02 0.00 0.53 0.00 0.00 43.42 42.72 2vgg n LEU 261 CO 0.05 -0.52 0.91 -2.16 -1.11 0.00 0.00 177.39 174.56 2vgg s PRO 262 N 1.71 3.37 0.20 1.96 0.04 -1.26 -4.92 135.00 136.09 2vgg s PRO 262 Ca 0.86 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.81 2vgg s PRO 262 Cb -0.83 -2.28 0.13 0.00 0.04 0.00 0.00 34.50 31.56 2vgg s PRO 262 CO 0.47 -0.94 1.81 0.78 0.04 0.00 0.00 177.00 179.17 2vgg h GLY 263 N 1.63 1.05 -7.71 0.56 0.00 -1.94 -3.38 103.07 93.29 2vgg h GLY 263 Ca -0.50 -0.48 -0.68 0.00 0.00 0.00 0.00 47.33 45.67 2vgg h GLY 263 CO 0.58 0.46 -0.69 1.08 0.00 0.00 0.00 176.54 177.97 2vgg s LEU 264 N -9.95 4.34 0.38 3.11 1.02 -1.26 -4.41 118.68 111.91 2vgg s LEU 264 Ca -0.13 -1.71 -0.05 0.00 0.02 0.00 0.00 54.13 52.27 2vgg s LEU 264 Cb 0.14 -1.68 -0.05 0.00 0.02 0.00 0.00 46.19 44.63 2vgg s LEU 264 CO 0.79 -0.34 0.66 -0.94 0.02 0.00 0.00 176.35 176.54 2vgg s SER 265 N 1.25 6.38 0.25 2.29 1.04 -1.26 -4.95 113.70 118.71 2vgg s SER 265 Ca 0.01 0.81 -0.06 0.00 0.48 0.00 0.00 55.95 57.19 2vgg s SER 265 Cb -0.20 -2.19 0.46 0.00 0.10 0.00 0.00 66.02 64.19 2vgg s SER 265 CO -0.04 -0.36 1.63 -0.33 0.98 0.00 0.00 173.24 175.11 2vgg h GLU 266 N 1.00 0.09 -0.45 4.02 5.08 -1.99 0.12 114.58 122.46 2vgg h GLU 266 Ca -0.48 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2vgg h GLU 266 Cb 1.20 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2vgg h GLU 266 CO 0.63 0.06 0.09 0.37 -1.00 0.00 0.00 179.01 179.17 2vgg h GLN 267 N 0.10 0.22 -1.00 2.33 5.75 -1.99 -0.58 115.11 119.93 2vgg h GLN 267 Ca 0.43 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 59.06 2vgg h GLN 267 Cb 0.77 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 29.18 2vgg h GLN 267 CO -0.69 0.14 0.62 -0.44 -2.65 0.00 0.00 178.83 175.82 2vgg h ASP 268 N 0.22 0.86 -0.19 -0.69 3.32 -1.15 0.32 116.42 119.12 2vgg h ASP 268 Ca 0.22 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 2vgg h ASP 268 Cb 0.29 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2vgg h ASP 268 CO -0.29 0.41 -0.04 0.58 -1.72 0.00 0.00 179.24 178.17 2vgg h VAL 269 N 0.90 1.29 -0.41 -1.35 2.07 -0.60 0.13 116.25 118.28 2vgg h VAL 269 Ca 0.52 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2vgg h VAL 269 Cb 0.65 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2vgg h VAL 269 CO -0.30 0.30 0.10 0.03 0.02 0.00 0.00 177.57 177.72 2vgg h ARG 270 N 0.07 0.23 -0.34 1.57 3.08 -0.79 0.48 114.38 118.68 2vgg h ARG 270 Ca 0.05 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.14 2vgg h ARG 270 Cb 0.48 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 2vgg h ARG 270 CO 0.02 0.15 0.05 -0.44 -1.07 0.00 0.00 179.97 178.68 2vgg h ASP 271 N 0.24 -0.03 -0.21 7.04 5.19 0.16 0.19 116.42 129.00 2vgg h ASP 271 Ca 0.20 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 2vgg h ASP 271 Cb 0.23 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2vgg h ASP 271 CO -0.25 0.02 0.08 -0.07 -3.12 0.00 0.00 179.24 175.91 2vgg h LEU 272 N 0.16 0.29 -0.33 1.55 3.38 -0.17 -0.35 115.31 119.85 2vgg h LEU 272 Ca 0.16 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2vgg h LEU 272 Cb 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2vgg h LEU 272 CO -0.23 0.38 -0.03 0.03 0.09 0.00 0.00 178.44 178.68 2vgg h ARG 273 N 0.19 0.06 -0.65 1.13 2.47 -0.24 0.18 114.38 117.52 2vgg h ARG 273 Ca 0.07 -0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.90 2vgg h ARG 273 Cb 0.18 -0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.37 2vgg h ARG 273 CO -0.01 0.04 -0.35 0.35 0.56 0.00 0.00 179.97 180.56 2vgg h PHE 274 N 0.06 -0.99 -0.64 3.04 3.57 -0.17 0.84 116.94 122.65 2vgg h PHE 274 Ca 0.16 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.84 2vgg h PHE 274 Cb 0.23 0.53 -0.12 0.00 2.79 0.00 0.00 35.95 39.38 2vgg h PHE 274 CO -0.26 -0.39 -0.37 0.78 -2.23 0.00 0.00 178.31 175.84 2vgg h GLY 275 N -0.15 -0.18 0.98 2.40 0.00 0.11 0.12 103.07 106.36 2vgg h GLY 275 Ca 0.24 0.48 -0.02 0.00 0.00 0.00 0.00 47.33 48.03 2vgg h GLY 275 CO -0.72 -0.19 -0.18 -2.08 0.00 0.00 0.00 176.54 173.37 2vgg h VAL 276 N -0.16 0.64 -0.99 4.60 2.07 -0.18 0.16 116.25 122.39 2vgg h VAL 276 Ca 0.23 -0.05 0.31 0.00 0.82 0.00 0.00 66.70 68.02 2vgg h VAL 276 Cb 0.56 0.67 -0.15 0.00 -1.52 0.00 0.00 31.29 30.85 2vgg h VAL 276 CO -0.72 0.01 0.52 -0.33 0.02 0.00 0.00 177.57 177.07 2vgg h GLU 277 N -0.52 0.29 -0.19 1.57 5.08 0.38 0.26 114.58 121.44 2vgg h GLU 277 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2vgg h GLU 277 Cb 0.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2vgg h GLU 277 CO 0.08 0.19 0.00 0.72 -1.00 0.00 0.00 179.01 179.00 2vgg n HIS 278 N -5.09 0.23 -2.91 4.33 8.25 -0.09 -4.98 115.22 114.96 2vgg n HIS 278 Ca 0.31 -0.11 -0.14 0.00 -0.26 0.00 0.00 57.72 57.51 2vgg n HIS 278 Cb 0.96 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.10 2vgg n HIS 278 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vgg n GLY 279 N 1.40 -0.00 3.62 -1.41 0.00 0.91 -4.99 105.19 104.71 2vgg n GLY 279 Ca 0.17 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2vgg n GLY 279 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2vgg n VAL 280 N -4.01 0.11 0.28 1.61 0.24 -0.62 -4.94 118.33 110.99 2vgg n VAL 280 Ca -0.04 -0.05 0.08 0.00 -2.04 0.00 0.00 64.34 62.29 2vgg n VAL 280 Cb 0.56 -0.93 -0.12 0.00 -1.47 0.00 0.00 33.84 31.88 2vgg n VAL 280 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2vgg n ASP 281 N -3.60 1.04 -3.70 -1.34 9.92 -0.07 -4.88 116.55 113.92 2vgg n ASP 281 Ca 0.11 -0.32 -0.12 0.00 -0.53 0.00 0.00 54.79 53.93 2vgg n ASP 281 Cb 0.52 1.48 -0.10 0.00 -0.64 0.00 0.00 41.12 42.38 2vgg n ASP 281 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2vgg s ILE 282 N -2.92 -0.01 -0.39 0.53 1.01 -1.16 -2.70 121.20 115.56 2vgg s ILE 282 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 2vgg s ILE 282 Cb 0.11 -0.66 0.06 0.00 0.01 0.00 0.00 42.46 41.98 2vgg s ILE 282 CO 0.68 0.02 0.20 -0.69 0.00 0.00 0.00 174.94 175.15 2vgg s VAL 283 N 0.85 4.09 -0.44 2.92 1.01 0.36 -0.64 120.40 128.55 2vgg s VAL 283 Ca -0.05 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 2vgg s VAL 283 Cb -0.06 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2vgg s VAL 283 CO -0.07 -0.38 1.43 -0.36 0.00 0.00 0.00 175.10 175.72 2vgg s PHE 284 N 1.42 2.35 -0.35 5.22 0.08 0.31 -1.78 117.98 125.24 2vgg s PHE 284 Ca 0.02 0.64 -0.20 0.00 0.12 0.00 0.00 56.93 57.50 2vgg s PHE 284 Cb -0.21 -4.32 -0.00 0.00 -0.57 0.00 0.00 43.02 37.91 2vgg s PHE 284 CO 0.03 -2.00 0.61 0.00 -0.10 0.00 0.00 175.22 173.75 2vgg s ALA 285 N 5.65 3.47 0.95 5.36 0.00 -0.07 -1.99 121.76 135.14 2vgg s ALA 285 Ca 0.60 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2vgg s ALA 285 Cb -0.13 -3.13 0.16 0.00 0.00 0.00 0.00 23.12 20.03 2vgg s ALA 285 CO 0.31 -1.27 1.09 -1.12 0.00 0.00 0.00 175.76 174.77 2vgg s SER 286 N 1.76 2.82 -1.07 0.00 0.01 -1.26 -1.66 113.70 114.30 2vgg s SER 286 Ca 0.23 1.72 -0.14 0.00 1.31 0.00 0.00 55.95 59.07 2vgg s SER 286 Cb -0.15 -2.34 0.14 0.00 0.21 0.00 0.00 66.02 63.88 2vgg s SER 286 CO 0.14 -3.09 0.34 0.49 0.41 0.00 0.00 173.24 171.53 2vgg n PHE 287 N -4.19 -1.14 -1.84 2.43 3.01 -1.26 -4.78 117.46 109.68 2vgg n PHE 287 Ca 0.08 0.39 -0.42 0.00 1.01 0.00 0.00 57.45 58.50 2vgg n PHE 287 Cb 0.54 -1.30 -0.03 0.00 -0.01 0.00 0.00 39.48 38.68 2vgg n PHE 287 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2vgg s VAL 288 N -2.46 3.30 -0.48 -4.37 1.01 -1.02 -4.87 120.40 111.51 2vgg s VAL 288 Ca 0.48 0.35 0.11 0.00 0.00 0.00 0.00 61.98 62.91 2vgg s VAL 288 Cb -0.28 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 2vgg s VAL 288 CO 0.59 -0.09 0.44 0.54 0.00 0.00 0.00 175.10 176.57 2vgg n ARG 289 N 7.76 3.38 -3.59 2.72 1.74 -1.26 -4.46 116.66 122.94 2vgg n ARG 289 Ca 0.21 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.20 2vgg n ARG 289 Cb 0.43 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.81 2vgg n ARG 289 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2vgg s LYS 290 N -2.03 0.48 0.24 5.56 -2.85 -1.26 -4.34 119.74 115.54 2vgg s LYS 290 Ca 0.04 0.14 -0.04 0.00 -1.00 0.00 0.00 55.97 55.11 2vgg s LYS 290 Cb 0.08 0.23 0.47 0.00 -2.06 0.00 0.00 37.83 36.55 2vgg s LYS 290 CO 0.44 -0.15 1.29 0.00 0.10 0.00 0.00 175.35 177.03 2vgg n ALA 291 N 0.76 0.28 0.21 0.59 0.00 -1.26 0.12 120.51 121.21 2vgg n ALA 291 Ca -0.08 0.90 0.08 0.00 0.00 0.00 0.00 53.44 54.34 2vgg n ALA 291 Cb 0.58 -0.58 0.62 0.00 0.00 0.00 0.00 19.45 20.07 2vgg n ALA 291 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2vgg h SER 292 N 0.00 0.05 -0.33 0.00 4.64 -1.98 -1.67 113.55 114.26 2vgg h SER 292 Ca 0.43 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.79 2vgg h SER 292 Cb 0.76 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 2vgg h SER 292 CO -0.82 0.04 0.13 0.44 -0.87 0.00 0.00 176.83 175.75 2vgg h ASP 293 N 0.06 0.16 0.56 4.97 3.32 0.45 -1.86 116.42 124.08 2vgg h ASP 293 Ca 0.03 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2vgg h ASP 293 Cb 0.06 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2vgg h ASP 293 CO -0.00 0.13 -0.39 1.62 -1.72 0.00 0.00 179.24 178.88 2vgg h VAL 294 N 0.28 1.09 -0.12 -1.35 3.04 -1.39 -2.59 116.25 115.21 2vgg h VAL 294 Ca 0.15 -1.41 0.05 0.00 -1.01 0.00 0.00 66.70 64.48 2vgg h VAL 294 Cb 0.10 1.80 -0.06 0.00 -2.01 0.00 0.00 31.29 31.13 2vgg h VAL 294 CO -0.14 0.38 -0.25 0.00 -1.01 0.00 0.00 177.57 176.55 2vgg h ALA 295 N 1.61 -0.24 0.21 3.17 0.00 -1.00 -1.54 119.26 121.48 2vgg h ALA 295 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2vgg h ALA 295 Cb 0.77 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2vgg h ALA 295 CO 0.05 -0.72 -0.35 0.00 0.00 0.00 0.00 179.25 178.23 2vgg h ALA 296 N 0.61 -0.67 -0.98 0.00 0.00 -1.01 0.16 119.26 117.37 2vgg h ALA 296 Ca 0.10 -0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.26 2vgg h ALA 296 Cb 0.47 0.55 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 2vgg h ALA 296 CO -0.31 -0.93 0.46 0.28 0.00 0.00 0.00 179.25 178.76 2vgg h VAL 297 N -0.64 0.20 -0.04 0.00 2.07 -1.29 0.43 116.25 116.98 2vgg h VAL 297 Ca 0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2vgg h VAL 297 Cb 0.63 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2vgg h VAL 297 CO -0.15 0.03 -0.00 -0.09 0.02 0.00 0.00 177.57 177.38 2vgg h ARG 298 N 0.19 0.07 0.29 1.57 2.43 0.26 0.81 114.38 120.01 2vgg h ARG 298 Ca 0.73 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 2vgg h ARG 298 Cb 1.70 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.22 2vgg h ARG 298 CO -0.69 0.37 -0.32 0.00 -1.51 0.00 0.00 179.97 177.82 2vgg h ALA 299 N 0.70 -0.66 -0.74 2.80 0.00 0.18 -1.09 119.26 120.45 2vgg h ALA 299 Ca 0.01 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.95 2vgg h ALA 299 Cb 0.34 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2vgg h ALA 299 CO 0.00 -0.91 0.31 0.00 0.00 0.00 0.00 179.25 178.65 2vgg h ALA 300 N -0.10 1.03 -0.19 0.00 0.00 -0.70 0.20 119.26 119.50 2vgg h ALA 300 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2vgg h ALA 300 Cb 0.60 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2vgg h ALA 300 CO -0.08 -0.18 0.18 1.25 0.00 0.00 0.00 179.25 180.42 2vgg h LEU 301 N 0.47 0.00 -0.20 0.00 5.85 0.34 -3.42 115.31 118.36 2vgg h LEU 301 Ca 0.40 0.00 0.20 0.00 0.84 0.00 0.00 57.88 59.32 2vgg h LEU 301 Cb 0.56 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2vgg h LEU 301 CO -0.37 0.00 -0.41 0.61 -0.34 0.00 0.00 178.44 177.93 2vgg n GLY 302 N -1.45 -2.06 0.26 3.75 0.00 0.70 -3.85 105.19 102.54 2vgg n GLY 302 Ca 0.02 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.67 2vgg n GLY 302 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vgg h PRO 303 N -0.72 0.87 0.00 1.61 0.11 -1.88 -1.15 132.00 130.83 2vgg h PRO 303 Ca -0.02 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2vgg h PRO 303 Cb 0.71 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2vgg h PRO 303 CO 0.02 0.65 0.08 0.39 -0.21 0.00 0.00 178.00 178.92 2vgg n GLU 304 N -4.57 0.00 -1.41 1.05 -0.58 -1.26 -2.93 120.64 110.94 2vgg n GLU 304 Ca 0.05 0.29 0.01 0.00 -0.42 0.00 0.00 57.16 57.09 2vgg n GLU 304 Cb 0.08 -1.58 0.09 0.00 -0.57 0.00 0.00 31.44 29.46 2vgg n GLU 304 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vgg n GLY 305 N -1.27 3.13 0.24 0.62 0.00 -0.44 -4.75 105.19 102.73 2vgg n GLY 305 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.87 2vgg n GLY 305 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2vgg h HIS 306 N 1.33 0.00 0.00 1.61 3.86 -1.65 -2.92 115.15 117.38 2vgg h HIS 306 Ca -0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2vgg h HIS 306 Cb 1.47 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.93 2vgg h HIS 306 CO 0.50 0.15 -0.07 0.78 0.86 0.00 0.00 177.93 180.15 2vgg h GLY 307 N 0.59 0.00 -4.59 2.45 0.00 -1.88 -3.44 103.07 96.19 2vgg h GLY 307 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2vgg h GLY 307 CO 0.02 0.00 0.82 -0.42 0.00 0.00 0.00 176.54 176.96 2vgg s ILE 308 N -3.66 2.90 0.00 2.60 1.01 -1.10 -4.98 121.20 117.97 2vgg s ILE 308 Ca 0.01 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.04 2vgg s ILE 308 Cb 0.09 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2vgg s ILE 308 CO 0.58 0.05 0.82 -0.54 0.00 0.00 0.00 174.94 175.84 2vgg s LYS 309 N 1.17 4.51 -0.35 2.79 -0.14 -1.10 -4.92 119.74 121.71 2vgg s LYS 309 Ca 0.68 1.13 -0.06 0.00 -1.36 0.00 0.00 55.97 56.35 2vgg s LYS 309 Cb -0.41 -3.41 0.04 0.00 -1.68 0.00 0.00 37.83 32.37 2vgg s LYS 309 CO 0.31 0.13 0.12 0.42 -0.76 0.00 0.00 175.35 175.56 2vgg s ILE 310 N 0.48 3.78 -0.35 2.17 1.01 -1.26 -0.49 121.20 126.55 2vgg s ILE 310 Ca 0.42 -1.18 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 2vgg s ILE 310 Cb -0.20 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 2vgg s ILE 310 CO 0.23 -0.21 0.23 -0.63 0.00 0.00 0.00 174.94 174.56 2vgg s ILE 311 N 1.39 5.07 -0.06 2.92 -1.09 -0.74 -2.20 121.20 126.50 2vgg s ILE 311 Ca -0.01 -0.40 -0.27 0.00 -2.23 0.00 0.00 60.65 57.74 2vgg s ILE 311 Cb -0.20 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2vgg s ILE 311 CO 0.02 -0.07 0.86 -0.44 -1.23 0.00 0.00 174.94 174.09 2vgg s SER 312 N 1.68 7.17 -0.06 3.58 0.01 -0.81 -0.89 113.70 124.37 2vgg s SER 312 Ca 0.05 1.41 -0.24 0.00 1.31 0.00 0.00 55.95 58.48 2vgg s SER 312 Cb -0.18 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2vgg s SER 312 CO 0.09 -0.24 0.74 -0.54 0.41 0.00 0.00 173.24 173.70 2vgg s LYS 313 N 1.18 4.46 -0.22 12.44 1.02 -0.66 -1.68 119.74 136.27 2vgg s LYS 313 Ca 0.45 0.97 -0.05 0.00 0.02 0.00 0.00 55.97 57.35 2vgg s LYS 313 Cb -0.19 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 2vgg s LYS 313 CO 0.21 0.05 -0.01 0.42 -0.92 0.00 0.00 175.35 175.10 2vgg s ILE 314 N 0.83 3.72 0.00 2.17 -1.09 -0.59 -2.42 121.20 123.83 2vgg s ILE 314 Ca 0.40 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 2vgg s ILE 314 Cb -0.18 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 2vgg s ILE 314 CO 0.20 0.41 0.19 -0.62 -1.23 0.00 0.00 174.94 173.88 2vgg n GLU 315 N 4.65 0.00 -3.87 2.79 1.02 -1.26 -1.88 120.64 122.09 2vgg n GLU 315 Ca -0.17 -0.19 -0.08 0.00 -0.02 0.00 0.00 57.16 56.70 2vgg n GLU 315 Cb 0.51 -0.40 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 2vgg n GLU 315 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2vgg s ASN 316 N 0.00 -0.17 0.16 1.62 2.20 -1.26 -2.76 114.94 114.73 2vgg s ASN 316 Ca 0.00 -0.76 -0.25 0.00 -0.94 0.00 0.00 52.86 50.92 2vgg s ASN 316 Cb 0.00 0.73 0.04 0.00 -2.00 0.00 0.00 41.25 40.02 2vgg s ASN 316 CO 0.00 -1.38 1.58 -0.74 -2.94 0.00 0.00 177.10 173.62 2vgg h HIS 317 N 2.03 -1.07 -0.20 1.54 -0.00 -1.93 -0.51 115.15 115.00 2vgg h HIS 317 Ca -0.22 0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.26 2vgg h HIS 317 Cb 1.25 0.53 -0.05 0.00 -0.00 0.00 0.00 27.41 29.14 2vgg h HIS 317 CO 0.60 -0.41 -0.10 1.49 -0.00 0.00 0.00 177.93 179.51 2vgg h GLU 318 N -0.28 -0.08 -0.84 5.26 4.81 -1.97 0.38 114.58 121.85 2vgg h GLU 318 Ca 0.16 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.60 2vgg h GLU 318 Cb 0.56 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 2vgg h GLU 318 CO -0.58 -0.06 0.31 0.78 -0.73 0.00 0.00 179.01 178.74 2vgg h GLY 319 N -0.09 1.35 0.92 1.92 0.00 -1.47 0.16 103.07 105.87 2vgg h GLY 319 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2vgg h GLY 319 CO -0.26 -0.25 -0.15 -2.08 0.00 0.00 0.00 176.54 173.80 2vgg h VAL 320 N 0.35 1.29 0.00 4.60 2.07 0.11 -1.66 116.25 123.01 2vgg h VAL 320 Ca 0.51 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2vgg h VAL 320 Cb 0.94 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2vgg h VAL 320 CO -0.53 0.40 -0.23 0.11 0.02 0.00 0.00 177.57 177.34 2vgg h LYS 321 N 0.40 0.00 -0.42 1.57 1.79 0.17 -2.92 116.57 117.15 2vgg h LYS 321 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2vgg h LYS 321 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2vgg h LYS 321 CO 0.05 0.23 0.00 0.54 -1.08 0.00 0.00 179.45 179.19 2vgg n ARG 322 N -3.80 3.07 -0.29 3.15 1.74 0.35 -4.64 116.66 116.23 2vgg n ARG 322 Ca -0.02 -2.47 -0.02 0.00 -0.77 0.00 0.00 57.85 54.58 2vgg n ARG 322 Cb 0.33 -1.56 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 2vgg n ARG 322 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2vgg h PHE 323 N 2.59 -0.88 -0.97 -1.55 3.57 -1.10 0.20 116.94 118.80 2vgg h PHE 323 Ca 0.00 0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2vgg h PHE 323 Cb 1.08 0.51 -0.07 0.00 2.79 0.00 0.00 35.95 40.25 2vgg h PHE 323 CO 0.43 -0.39 0.61 -0.44 -2.23 0.00 0.00 178.31 176.29 2vgg h ASP 324 N -0.07 0.94 -0.06 0.41 3.32 -1.85 0.53 116.42 119.64 2vgg h ASP 324 Ca 0.31 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 2vgg h ASP 324 Cb 0.58 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2vgg h ASP 324 CO -0.84 0.55 -0.05 1.05 -1.72 0.00 0.00 179.24 178.23 2vgg h GLU 325 N 1.04 0.15 -0.44 3.56 4.11 -1.04 -2.88 114.58 119.08 2vgg h GLU 325 Ca 0.45 -0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.88 2vgg h GLU 325 Cb 0.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2vgg h GLU 325 CO -0.22 0.57 0.07 0.82 0.07 0.00 0.00 179.01 180.33 2vgg h ILE 326 N -0.27 0.74 -0.31 -1.06 2.04 0.27 -2.49 117.51 116.44 2vgg h ILE 326 Ca 0.01 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2vgg h ILE 326 Cb 0.54 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 2vgg h ILE 326 CO 0.01 0.04 -0.13 0.25 0.00 0.00 0.00 178.15 178.32 2vgg h LEU 327 N 0.20 -0.46 -0.78 1.44 6.46 0.02 -1.95 115.31 120.24 2vgg h LEU 327 Ca 0.22 0.11 0.17 0.00 -0.12 0.00 0.00 57.88 58.26 2vgg h LEU 327 Cb 0.28 0.26 -0.11 0.00 -0.73 0.00 0.00 40.66 40.37 2vgg h LEU 327 CO -0.30 -0.17 0.27 -0.08 -0.62 0.00 0.00 178.44 177.54 2vgg h GLU 328 N -0.08 0.34 0.00 1.25 4.81 -1.22 -0.97 114.58 118.71 2vgg h GLU 328 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2vgg h GLU 328 Cb 0.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2vgg h GLU 328 CO -0.36 0.23 -0.26 0.28 -0.73 0.00 0.00 179.01 178.16 2vgg n VAL 329 N -5.09 0.11 -3.97 0.32 0.31 -0.85 -4.92 118.33 104.23 2vgg n VAL 329 Ca 0.16 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 2vgg n VAL 329 Cb 0.50 -0.19 -0.04 0.00 -0.91 0.00 0.00 33.84 33.19 2vgg n VAL 329 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2vgg s SER 330 N -3.32 5.36 0.00 4.52 0.01 -0.37 -4.99 113.70 114.91 2vgg s SER 330 Ca 0.12 -0.39 0.26 0.00 1.31 0.00 0.00 55.95 57.25 2vgg s SER 330 Cb 0.17 -1.17 1.21 0.00 0.21 0.00 0.00 66.02 66.45 2vgg s SER 330 CO 0.62 -0.19 1.87 0.47 0.41 0.00 0.00 173.24 176.42 2vgg n ASP 331 N -1.26 0.00 0.00 2.44 8.00 -0.93 -4.94 116.55 119.85 2vgg n ASP 331 Ca -0.05 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2vgg n ASP 331 Cb 0.59 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2vgg n ASP 331 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vgg n GLY 332 N 1.11 -1.59 3.06 0.44 0.00 -1.25 -3.78 105.19 103.18 2vgg n GLY 332 Ca 0.09 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 2vgg n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vgg s ILE 333 N -2.86 0.15 -0.10 -0.61 -1.09 0.09 -1.93 121.20 114.84 2vgg s ILE 333 Ca 0.00 -1.20 0.02 0.00 -2.23 0.00 0.00 60.65 57.24 2vgg s ILE 333 Cb 0.00 -0.81 0.01 0.00 -1.58 0.00 0.00 42.46 40.08 2vgg s ILE 333 CO 0.00 -0.66 -0.17 -0.32 -1.23 0.00 0.00 174.94 172.56 2vgg s MET 334 N -2.49 2.34 -0.84 2.79 -2.45 -0.68 0.29 119.30 118.27 2vgg s MET 334 Ca -0.06 -0.62 -0.23 0.00 -1.25 0.00 0.00 55.69 53.53 2vgg s MET 334 Cb -0.02 -1.90 0.07 0.00 1.25 0.00 0.00 34.83 34.23 2vgg s MET 334 CO -0.04 0.03 1.20 0.08 1.05 0.00 0.00 175.02 177.33 2vgg s VAL 335 N 0.72 4.20 -1.21 10.11 1.01 0.49 -1.54 120.40 134.19 2vgg s VAL 335 Ca -0.12 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2vgg s VAL 335 Cb -0.16 -4.86 0.06 0.00 0.00 0.00 0.00 36.38 31.43 2vgg s VAL 335 CO 0.03 -1.68 1.65 0.00 0.00 0.00 0.00 175.10 175.09 2vgg s ALA 336 N 4.30 3.11 -0.38 5.51 0.00 -0.78 -3.19 121.76 130.32 2vgg s ALA 336 Ca 0.34 -2.70 0.25 0.00 0.00 0.00 0.00 51.96 49.85 2vgg s ALA 336 Cb -0.07 -4.61 1.06 0.00 0.00 0.00 0.00 23.12 19.49 2vgg s ALA 336 CO 0.01 -3.42 1.75 0.00 0.00 0.00 0.00 175.76 174.10 2vgg h ARG 337 N 8.32 0.00 0.00 0.00 3.08 -1.83 -2.08 114.38 121.87 2vgg h ARG 337 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2vgg h ARG 337 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2vgg h ARG 337 CO 1.45 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.76 2vgg n GLY 338 N -0.10 -2.81 0.37 0.04 0.00 -1.26 -0.22 105.19 101.20 2vgg n GLY 338 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2vgg n GLY 338 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vgg h ASP 339 N 0.00 -1.15 -1.01 1.61 3.32 -1.85 0.16 116.42 117.50 2vgg h ASP 339 Ca 0.00 0.16 0.33 0.00 0.02 0.00 0.00 57.03 57.54 2vgg h ASP 339 Cb 0.00 0.48 -0.15 0.00 0.22 0.00 0.00 39.33 39.88 2vgg h ASP 339 CO 0.00 -0.39 0.58 0.25 -1.72 0.00 0.00 179.24 177.95 2vgg h LEU 340 N -0.45 0.49 0.00 1.55 5.85 -1.18 1.02 115.31 122.59 2vgg h LEU 340 Ca 0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2vgg h LEU 340 Cb 0.59 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2vgg h LEU 340 CO -0.38 -0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.17 2vgg n GLY 341 N -1.29 -0.84 0.03 3.75 0.00 0.69 -1.91 105.19 105.62 2vgg n GLY 341 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 2vgg n GLY 341 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2vgg n ILE 342 N -1.21 0.44 0.03 -0.61 5.41 0.34 -4.05 119.36 119.71 2vgg n ILE 342 Ca 0.11 -0.25 -0.07 0.00 1.00 0.00 0.00 62.75 63.53 2vgg n ILE 342 Cb 0.13 -0.83 0.10 0.00 -0.71 0.00 0.00 39.64 38.33 2vgg n ILE 342 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2vgg h GLU 343 N 0.00 0.45 -6.27 0.38 4.39 -1.06 -3.43 114.58 109.04 2vgg h GLU 343 Ca -0.17 -0.27 -0.60 0.00 0.34 0.00 0.00 59.36 58.66 2vgg h GLU 343 Cb 1.37 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.92 2vgg h GLU 343 CO 0.00 0.86 -0.72 0.96 -1.16 0.00 0.00 179.01 178.95 2vgg s ILE 344 N -3.99 2.87 0.32 3.13 -4.36 -0.80 -4.76 121.20 113.61 2vgg s ILE 344 Ca -0.06 -2.12 -0.28 0.00 -0.26 0.00 0.00 60.65 57.93 2vgg s ILE 344 Cb 0.12 -2.50 -0.13 0.00 1.25 0.00 0.00 42.46 41.20 2vgg s ILE 344 CO 0.82 -0.33 1.11 -2.65 0.24 0.00 0.00 174.94 174.13 2vgg n PRO 345 N -0.55 1.63 -0.32 0.37 -0.02 -1.26 -4.60 135.00 130.25 2vgg n PRO 345 Ca -0.07 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 2vgg n PRO 345 Cb 0.59 -2.04 0.29 0.00 -0.02 0.00 0.00 33.50 32.32 2vgg n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vgg h ALA 346 N 2.14 1.64 0.00 3.55 0.00 -1.92 -1.43 119.26 123.24 2vgg h ALA 346 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2vgg h ALA 346 Cb 1.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2vgg h ALA 346 CO 0.61 0.13 0.00 0.39 0.00 0.00 0.00 179.25 180.38 2vgg n GLU 347 N -4.58 0.03 -0.01 0.00 4.71 -1.26 -2.87 120.64 116.66 2vgg n GLU 347 Ca 0.18 0.53 0.08 0.00 -0.01 0.00 0.00 57.16 57.93 2vgg n GLU 347 Cb 0.38 -1.61 -0.12 0.00 -1.01 0.00 0.00 31.44 29.07 2vgg n GLU 347 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2vgg n LYS 348 N -1.66 0.49 -0.21 3.49 5.02 -0.54 -4.52 118.16 120.22 2vgg n LYS 348 Ca -0.00 -0.15 -0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2vgg n LYS 348 Cb 0.01 -1.38 0.07 0.00 -0.02 0.00 0.00 35.03 33.71 2vgg n LYS 348 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2vgg h VAL 349 N 0.00 0.41 -0.63 -0.18 2.07 -1.60 -0.57 116.25 115.75 2vgg h VAL 349 Ca 0.00 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2vgg h VAL 349 Cb 0.73 0.38 -0.12 0.00 -1.52 0.00 0.00 31.29 30.77 2vgg h VAL 349 CO 0.00 0.00 -0.15 2.19 0.02 0.00 0.00 177.57 179.64 2vgg h PHE 350 N 0.03 -0.32 -0.29 1.57 -0.00 -1.80 0.66 116.94 116.79 2vgg h PHE 350 Ca 0.30 0.06 0.07 0.00 -0.00 0.00 0.00 57.97 58.40 2vgg h PHE 350 Cb 0.48 0.24 -0.07 0.00 -0.00 0.00 0.00 35.95 36.59 2vgg h PHE 350 CO -0.47 -0.27 -0.19 -0.07 -0.00 0.00 0.00 178.31 177.32 2vgg h LEU 351 N 0.00 -0.62 -0.84 2.10 3.38 -1.42 0.34 115.31 118.26 2vgg h LEU 351 Ca 0.30 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.50 2vgg h LEU 351 Cb 0.46 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 2vgg h LEU 351 CO -0.64 -0.22 0.48 0.00 0.09 0.00 0.00 178.44 178.14 2vgg h ALA 352 N 1.01 1.20 -0.07 1.53 0.00 0.71 -1.28 119.26 122.36 2vgg h ALA 352 Ca 0.15 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2vgg h ALA 352 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2vgg h ALA 352 CO -0.39 0.10 -0.11 0.37 0.00 0.00 0.00 179.25 179.22 2vgg h GLN 353 N 0.80 0.20 -0.09 0.00 4.15 0.19 -1.62 115.11 118.73 2vgg h GLN 353 Ca 0.41 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.65 2vgg h GLN 353 Cb 0.38 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2vgg h GLN 353 CO -0.25 0.68 -0.21 0.87 -1.93 0.00 0.00 178.83 177.99 2vgg h LYS 354 N -0.27 0.15 0.43 1.69 1.57 -0.26 -2.15 116.57 117.74 2vgg h LYS 354 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2vgg h LYS 354 Cb 0.66 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2vgg h LYS 354 CO 0.02 0.36 -0.21 1.98 -0.57 0.00 0.00 179.45 181.04 2vgg h MET 355 N 0.14 -0.56 -0.40 3.15 4.05 -1.02 -2.05 114.93 118.24 2vgg h MET 355 Ca 0.03 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2vgg h MET 355 Cb 0.45 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.33 2vgg h MET 355 CO 0.03 -0.27 0.07 0.52 0.23 0.00 0.00 176.91 177.49 2vgg h MET 356 N -1.04 0.19 -0.83 0.39 2.86 -1.23 -0.99 114.93 114.29 2vgg h MET 356 Ca -0.06 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.68 2vgg h MET 356 Cb 0.55 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.08 2vgg h MET 356 CO 0.10 0.13 0.46 0.82 1.06 0.00 0.00 176.91 179.47 2vgg h ILE 357 N 0.20 0.85 0.26 -1.22 2.04 -1.43 0.47 117.51 118.68 2vgg h ILE 357 Ca 0.19 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2vgg h ILE 357 Cb 0.23 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2vgg h ILE 357 CO -0.25 0.13 -0.15 1.23 0.00 0.00 0.00 178.15 179.11 2vgg h GLY 358 N 0.73 -0.40 0.96 5.37 0.00 -0.55 0.14 103.07 109.33 2vgg h GLY 358 Ca 0.41 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2vgg h GLY 358 CO -0.28 -0.15 0.02 3.21 0.00 0.00 0.00 176.54 179.33 2vgg h ARG 359 N -0.39 0.04 -0.15 4.80 3.08 -0.03 -0.46 114.38 121.28 2vgg h ARG 359 Ca -0.03 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2vgg h ARG 359 Cb 0.31 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 2vgg h ARG 359 CO 0.04 0.03 -0.32 0.00 -1.07 0.00 0.00 179.97 178.65 2vgg h ASN 361 N -0.38 -0.30 -1.00 0.00 -0.26 -0.29 0.33 115.58 113.68 2vgg h ASN 361 Ca 0.10 0.20 0.02 0.00 -0.56 0.00 0.00 56.30 56.07 2vgg h ASN 361 Cb 0.54 0.34 -0.05 0.00 -1.06 0.00 0.00 38.32 38.09 2vgg h ASN 361 CO -0.36 -0.18 0.66 0.25 -1.06 0.00 0.00 177.43 176.73 2vgg h LEU 362 N 0.12 1.11 0.00 1.61 5.85 0.52 -1.31 115.31 123.22 2vgg h LEU 362 Ca 0.44 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2vgg h LEU 362 Cb 0.81 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2vgg h LEU 362 CO -0.68 0.78 -0.42 0.00 -0.34 0.00 0.00 178.44 177.79 2vgg n ALA 363 N -2.38 3.22 -2.46 1.25 0.00 0.61 -4.92 120.51 115.83 2vgg n ALA 363 Ca 0.13 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 2vgg n ALA 363 Cb 0.06 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.32 2vgg n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vgg n GLY 364 N 1.48 0.17 3.58 0.00 0.00 0.83 -5.05 105.19 106.20 2vgg n GLY 364 Ca 0.06 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 2vgg n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vgg s LYS 365 N -4.84 2.39 0.35 1.61 1.02 -1.13 -4.86 119.74 114.28 2vgg s LYS 365 Ca 0.09 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 2vgg s LYS 365 Cb -0.04 -2.42 -0.12 0.00 -0.52 0.00 0.00 37.83 34.73 2vgg s LYS 365 CO 0.11 0.57 1.45 -2.30 -0.92 0.00 0.00 175.35 174.25 2vgg n PRO 366 N 1.24 2.51 -4.66 -1.68 -0.02 -1.25 -4.48 135.00 126.66 2vgg n PRO 366 Ca -0.14 0.88 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 2vgg n PRO 366 Cb 0.52 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 2vgg n PRO 366 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vgg s VAL 367 N -0.90 1.24 -0.16 -1.45 0.11 -1.26 -0.73 120.40 117.24 2vgg s VAL 367 Ca 0.56 -0.55 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 2vgg s VAL 367 Cb -0.51 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2vgg s VAL 367 CO 0.61 0.38 0.05 -0.69 -3.33 0.00 0.00 175.10 172.12 2vgg s VAL 368 N 0.58 4.74 -0.17 2.04 1.01 0.14 0.16 120.40 128.90 2vgg s VAL 368 Ca -0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2vgg s VAL 368 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2vgg s VAL 368 CO 0.04 0.49 0.11 0.00 0.00 0.00 0.00 175.10 175.74 2vgg s ALA 370 N -0.00 -0.10 0.00 0.00 0.00 -1.19 -2.01 121.76 118.45 2vgg s ALA 370 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2vgg s ALA 370 Cb -0.12 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2vgg s ALA 370 CO 0.00 -0.40 0.00 2.41 0.00 0.00 0.00 175.76 177.77 2vgg n THR 371 N 0.38 -1.44 -1.96 0.00 -1.04 -1.26 -3.28 114.28 105.68 2vgg n THR 371 Ca -0.17 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 2vgg n THR 371 Cb 0.60 -1.44 -0.04 0.00 -1.82 0.00 0.00 70.33 67.63 2vgg n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vgg n GLN 372 N 0.52 -1.63 0.19 -2.82 6.02 -1.26 -4.82 117.38 113.56 2vgg n GLN 372 Ca 0.00 0.95 0.03 0.00 -0.01 0.00 0.00 57.00 57.97 2vgg n GLN 372 Cb 0.00 -5.43 0.36 0.00 1.02 0.00 0.00 30.24 26.19 2vgg n GLN 372 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2vgg h MET 373 N 0.00 0.00 -0.51 -1.09 2.86 -1.87 -3.28 114.93 111.04 2vgg h MET 373 Ca -0.39 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 56.92 2vgg h MET 373 Cb 1.23 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.48 2vgg h MET 373 CO 0.51 0.38 -1.03 1.28 1.06 0.00 0.00 176.91 179.12 2vgg n LEU 374 N -3.97 2.53 -0.02 1.22 4.32 -1.26 -4.55 117.00 115.27 2vgg n LEU 374 Ca -0.02 -3.50 -0.11 0.00 -0.02 0.00 0.00 56.01 52.36 2vgg n LEU 374 Cb 0.43 0.23 -0.05 0.00 -1.62 0.00 0.00 43.42 42.41 2vgg n LEU 374 CO 0.38 1.33 0.60 -0.33 -1.22 0.00 0.00 177.39 178.16 2vgg h GLU 375 N 2.45 -0.43 -0.05 3.23 4.39 -1.97 -1.08 114.58 121.12 2vgg h GLU 375 Ca 0.01 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2vgg h GLU 375 Cb 1.36 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 30.10 2vgg h GLU 375 CO 0.34 -0.29 0.40 0.66 -1.16 0.00 0.00 179.01 178.97 2vgg h SER 376 N -0.44 0.00 0.17 1.42 4.64 -1.92 2.35 113.55 119.77 2vgg h SER 376 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2vgg h SER 376 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2vgg h SER 376 CO -0.41 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.78 2vgg n MET 377 N -2.94 0.32 0.24 4.77 2.81 -0.41 0.15 117.12 122.06 2vgg n MET 377 Ca -0.01 0.09 0.10 0.00 -1.81 0.00 0.00 57.70 56.07 2vgg n MET 377 Cb 0.46 -1.50 0.59 0.00 -0.71 0.00 0.00 33.22 32.07 2vgg n MET 377 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2vgg h ILE 378 N 0.00 0.75 0.00 2.02 2.04 0.38 -3.36 117.51 119.34 2vgg h ILE 378 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2vgg h ILE 378 Cb 0.09 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2vgg h ILE 378 CO 0.00 0.19 -0.82 0.41 0.00 0.00 0.00 178.15 177.93 2vgg n THR 379 N -3.75 0.00 -4.23 -0.27 -1.04 -0.33 -2.33 114.28 102.33 2vgg n THR 379 Ca -0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 2vgg n THR 379 Cb 0.30 -0.63 -0.09 0.00 -1.82 0.00 0.00 70.33 68.09 2vgg n THR 379 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2vgg s LYS 380 N -1.82 2.22 0.00 -2.82 1.02 0.12 -4.91 119.74 113.56 2vgg s LYS 380 Ca 0.00 -1.13 0.29 0.00 0.02 0.00 0.00 55.97 55.15 2vgg s LYS 380 Cb 0.00 -2.29 1.52 0.00 -0.52 0.00 0.00 37.83 36.55 2vgg s LYS 380 CO 0.00 0.47 2.01 -2.30 -0.92 0.00 0.00 175.35 174.60 2vgg n PRO 381 N 0.18 0.56 -4.30 -1.68 -0.02 -1.26 -3.88 135.00 124.60 2vgg n PRO 381 Ca -0.11 0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.21 2vgg n PRO 381 Cb 0.54 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 2vgg n PRO 381 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2vgg s ARG 382 N -2.40 0.64 0.57 -0.52 1.81 -1.26 -4.99 118.95 112.80 2vgg s ARG 382 Ca 0.32 -0.31 -0.06 0.00 -1.72 0.00 0.00 55.73 53.96 2vgg s ARG 382 Cb 0.19 -0.61 0.00 0.00 -0.45 0.00 0.00 34.95 34.08 2vgg s ARG 382 CO 0.40 0.17 0.88 -1.25 -0.68 0.00 0.00 175.30 174.81 2vgg s PRO 383 N -0.26 3.02 0.83 3.54 0.04 -1.26 -4.63 135.00 136.28 2vgg s PRO 383 Ca 0.03 0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.96 2vgg s PRO 383 Cb -0.03 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.30 2vgg s PRO 383 CO -0.00 -0.61 1.16 0.95 0.04 0.00 0.00 177.00 178.53 2vgg s THR 384 N -2.94 2.22 0.39 1.26 -4.23 -1.26 -4.87 115.64 106.21 2vgg s THR 384 Ca 0.53 0.07 0.16 0.00 -1.18 0.00 0.00 61.69 61.27 2vgg s THR 384 Cb -0.10 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.91 2vgg s THR 384 CO 0.45 -0.09 1.92 0.03 -0.54 0.00 0.00 174.62 176.39 2vgg h ARG 385 N -1.14 0.00 -0.08 3.99 2.47 -2.00 -1.12 114.38 116.50 2vgg h ARG 385 Ca -0.47 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.04 2vgg h ARG 385 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 2vgg h ARG 385 CO 0.64 0.26 -0.80 0.00 0.56 0.00 0.00 179.97 180.63 2vgg h ALA 386 N 1.74 0.44 -0.31 0.04 0.00 -1.98 -2.82 119.26 116.36 2vgg h ALA 386 Ca -0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 2vgg h ALA 386 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2vgg h ALA 386 CO 0.03 0.74 -0.27 0.93 0.00 0.00 0.00 179.25 180.69 2vgg h GLU 387 N 0.35 0.74 -0.36 0.00 5.08 -1.47 0.41 114.58 119.33 2vgg h GLU 387 Ca -0.05 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2vgg h GLU 387 Cb 1.41 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.58 2vgg h GLU 387 CO 0.15 0.99 -0.38 1.15 -1.00 0.00 0.00 179.01 179.92 2vgg h THR 388 N 0.50 0.17 -0.89 1.13 2.02 -1.50 -1.16 112.91 113.17 2vgg h THR 388 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 2vgg h THR 388 Cb 0.83 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2vgg h THR 388 CO 0.07 0.00 0.58 -1.28 0.37 0.00 0.00 175.52 175.26 2vgg h SER 389 N -0.32 0.97 -0.29 4.18 0.87 -1.13 -2.24 113.55 115.59 2vgg h SER 389 Ca 0.15 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2vgg h SER 389 Cb 0.57 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 2vgg h SER 389 CO -0.53 0.67 0.16 -0.78 -0.53 0.00 0.00 176.83 175.81 2vgg h ASP 390 N 1.13 0.25 0.18 6.23 3.58 0.94 -1.26 116.42 127.48 2vgg h ASP 390 Ca 0.35 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.82 2vgg h ASP 390 Cb -0.01 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2vgg h ASP 390 CO -0.11 0.18 -0.42 0.58 -2.88 0.00 0.00 179.24 176.59 2vgg h VAL 391 N 0.33 0.16 -0.04 2.25 2.07 -0.70 -1.17 116.25 119.15 2vgg h VAL 391 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2vgg h VAL 391 Cb 0.01 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 29.89 2vgg h VAL 391 CO -0.06 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.19 2vgg h ALA 392 N -0.24 -0.46 -0.04 1.67 0.00 -1.26 0.10 119.26 119.03 2vgg h ALA 392 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2vgg h ALA 392 Cb 0.69 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2vgg h ALA 392 CO -0.20 -0.84 0.05 -0.91 0.00 0.00 0.00 179.25 177.34 2vgg h ASN 393 N -0.46 0.00 -0.09 0.00 2.35 -1.02 0.32 115.58 116.67 2vgg h ASN 393 Ca 0.07 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 2vgg h ASN 393 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2vgg h ASN 393 CO -0.30 0.00 -0.42 0.00 -1.65 0.00 0.00 177.43 175.05 2vgg h ALA 394 N 1.95 0.78 0.15 -0.83 0.00 0.47 0.47 119.26 122.25 2vgg h ALA 394 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2vgg h ALA 394 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2vgg h ALA 394 CO -0.00 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.11 2vgg h VAL 395 N 0.51 0.94 -0.32 0.00 2.07 0.16 -1.82 116.25 117.78 2vgg h VAL 395 Ca 0.04 -1.09 0.09 0.00 0.82 0.00 0.00 66.70 66.56 2vgg h VAL 395 Cb 0.95 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2vgg h VAL 395 CO 0.09 0.23 0.46 -0.07 0.02 0.00 0.00 177.57 178.29 2vgg h LEU 396 N -0.79 0.00 -0.63 2.57 4.07 -0.98 0.48 115.31 120.02 2vgg h LEU 396 Ca -0.02 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.79 2vgg h LEU 396 Cb 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2vgg h LEU 396 CO 0.03 0.00 -0.66 0.44 -1.08 0.00 0.00 178.44 177.17 2vgg h ASP 397 N 0.00 0.12 0.00 -0.43 3.32 0.53 -3.47 116.42 116.49 2vgg h ASP 397 Ca 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2vgg h ASP 397 Cb 1.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2vgg h ASP 397 CO -0.00 0.74 0.00 0.61 -1.72 0.00 0.00 179.24 178.87 2vgg n GLY 398 N 0.38 1.25 3.77 2.75 0.00 0.17 -4.75 105.19 108.75 2vgg n GLY 398 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2vgg n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vgg s ALA 399 N -1.73 3.57 0.02 4.61 0.00 -0.74 -4.90 121.76 122.59 2vgg s ALA 399 Ca 0.00 1.49 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 2vgg s ALA 399 Cb 0.00 -3.58 -0.34 0.00 0.00 0.00 0.00 23.12 19.20 2vgg s ALA 399 CO 0.00 -0.95 0.94 -0.44 0.00 0.00 0.00 175.76 175.31 2vgg h ASP 400 N 3.30 0.74 -4.26 0.00 3.32 -0.63 -3.45 116.42 115.44 2vgg h ASP 400 Ca -0.50 -0.85 -0.34 0.00 0.02 0.00 0.00 57.03 55.36 2vgg h ASP 400 Cb 1.23 -0.24 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 2vgg h ASP 400 CO 0.66 1.68 -0.74 0.00 -1.72 0.00 0.00 179.24 179.12 2vgg s ILE 402 N -2.47 2.05 0.30 0.00 -4.36 -0.87 -1.73 121.20 114.12 2vgg s ILE 402 Ca 0.07 -2.02 0.10 0.00 -0.26 0.00 0.00 60.65 58.54 2vgg s ILE 402 Cb -0.03 -1.99 -0.06 0.00 1.25 0.00 0.00 42.46 41.64 2vgg s ILE 402 CO 0.01 -0.28 -0.13 -0.32 0.24 0.00 0.00 174.94 174.46 2vgg s MET 403 N -2.88 1.70 -0.00 0.37 1.75 -0.85 -0.36 119.30 119.02 2vgg s MET 403 Ca 0.19 -1.84 0.01 0.00 -1.25 0.00 0.00 55.69 52.80 2vgg s MET 403 Cb -0.06 -1.60 -0.00 0.00 2.84 0.00 0.00 34.83 36.00 2vgg s MET 403 CO 0.08 0.19 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.11 2vgg s LEU 404 N -3.53 2.00 0.00 4.11 1.43 0.26 -4.60 118.68 118.35 2vgg s LEU 404 Ca 0.31 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2vgg s LEU 404 Cb -0.00 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.06 2vgg s LEU 404 CO 0.15 0.04 0.00 -1.20 0.23 0.00 0.00 176.35 175.56 2vgg n SER 405 N 3.02 0.00 -0.35 2.29 7.64 -1.26 -1.48 113.62 123.48 2vgg n SER 405 Ca -0.13 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.84 2vgg n SER 405 Cb 0.59 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.98 2vgg n SER 405 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2vgg h GLY 406 N 0.00 0.89 -0.14 0.23 0.00 -1.97 0.47 103.07 102.55 2vgg h GLY 406 Ca 0.00 0.26 0.28 0.00 0.00 0.00 0.00 47.33 47.87 2vgg h GLY 406 CO 0.00 -0.42 0.71 0.83 0.00 0.00 0.00 176.54 177.66 2vgg h GLU 407 N 0.00 0.25 -0.00 4.80 3.07 -1.89 -2.42 114.58 118.41 2vgg h GLU 407 Ca 0.51 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 2vgg h GLU 407 Cb 0.89 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2vgg h GLU 407 CO -0.97 0.17 -0.08 0.25 -1.40 0.00 0.00 179.01 176.98 2vgg n THR 408 N -4.48 0.00 0.03 1.13 -2.24 0.57 -3.94 114.28 105.35 2vgg n THR 408 Ca 0.24 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 2vgg n THR 408 Cb 0.97 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 70.06 2vgg n THR 408 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vgg h ALA 409 N 0.27 0.11 0.00 6.98 0.00 0.23 -3.38 119.26 123.46 2vgg h ALA 409 Ca 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 53.90 2vgg h ALA 409 Cb 0.05 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2vgg h ALA 409 CO 0.00 0.75 -1.00 1.63 0.00 0.00 0.00 179.25 180.63 2vgg n LYS 410 N -3.92 3.25 -0.81 0.00 5.02 -0.96 -0.81 118.16 119.93 2vgg n LYS 410 Ca -0.22 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 2vgg n LYS 410 Cb 0.91 -1.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.17 2vgg n LYS 410 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2vgg s GLY 411 N -3.19 1.52 0.00 0.72 0.00 -1.05 -4.69 107.32 100.62 2vgg s GLY 411 Ca -0.00 -0.74 0.27 0.00 0.00 0.00 0.00 44.72 44.25 2vgg s GLY 411 CO 0.00 0.13 1.83 0.70 0.00 0.00 0.00 173.10 175.76 2vgg n ASN 412 N -4.99 1.09 -2.67 1.64 3.02 -0.98 -4.39 115.26 107.97 2vgg n ASN 412 Ca 0.11 -1.41 -0.08 0.00 -0.03 0.00 0.00 54.58 53.16 2vgg n ASN 412 Cb 0.59 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.78 2vgg n ASN 412 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2vgg n PHE 413 N -0.13 1.01 0.33 3.10 3.01 -1.26 -4.98 117.46 118.54 2vgg n PHE 413 Ca 0.19 -2.72 -0.17 0.00 1.01 0.00 0.00 57.45 55.76 2vgg n PHE 413 Cb 0.28 -0.29 -0.09 0.00 -0.01 0.00 0.00 39.48 39.37 2vgg n PHE 413 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2vgg h PRO 414 N 2.94 -0.79 -0.41 -1.08 0.13 -1.77 0.23 132.00 131.26 2vgg h PRO 414 Ca -0.11 0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.15 2vgg h PRO 414 Cb 1.19 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 32.42 2vgg h PRO 414 CO 0.46 -0.50 -0.07 0.28 -0.23 0.00 0.00 178.00 177.95 2vgg h VAL 415 N -0.88 0.63 -0.11 1.56 2.07 -1.93 -1.17 116.25 116.42 2vgg h VAL 415 Ca -0.08 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2vgg h VAL 415 Cb 0.65 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2vgg h VAL 415 CO 0.14 0.01 0.01 -0.33 0.02 0.00 0.00 177.57 177.41 2vgg h GLU 416 N 0.03 0.15 -0.23 1.57 3.07 -1.77 0.60 114.58 118.01 2vgg h GLU 416 Ca 0.20 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.94 2vgg h GLU 416 Cb 0.30 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2vgg h GLU 416 CO -0.39 0.16 -0.26 0.00 -1.40 0.00 0.00 179.01 177.13 2vgg h ALA 417 N 1.86 0.34 0.21 3.43 0.00 0.49 -2.49 119.26 123.09 2vgg h ALA 417 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2vgg h ALA 417 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vgg h ALA 417 CO 0.00 0.32 -0.18 0.28 0.00 0.00 0.00 179.25 179.67 2vgg h VAL 418 N 0.27 0.62 -0.84 0.00 2.07 0.11 -1.96 116.25 116.51 2vgg h VAL 418 Ca 0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.76 2vgg h VAL 418 Cb 0.82 0.62 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 2vgg h VAL 418 CO 0.06 0.00 0.28 0.11 0.02 0.00 0.00 177.57 178.04 2vgg h LYS 419 N -0.40 0.30 0.17 1.57 1.57 -0.94 -0.22 116.57 118.62 2vgg h LYS 419 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2vgg h LYS 419 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2vgg h LYS 419 CO -0.02 0.20 -0.08 1.98 -0.57 0.00 0.00 179.45 180.95 2vgg h MET 420 N 0.31 -0.22 -0.98 3.15 4.05 -1.15 0.59 114.93 120.67 2vgg h MET 420 Ca 0.51 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 60.04 2vgg h MET 420 Cb 0.96 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.73 2vgg h MET 420 CO -0.56 0.01 0.62 1.96 0.23 0.00 0.00 176.91 179.18 2vgg h GLN 421 N -0.44 1.02 -0.62 0.39 4.20 -0.54 0.23 115.11 119.36 2vgg h GLN 421 Ca -0.02 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.66 2vgg h GLN 421 Cb 0.34 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 2vgg h GLN 421 CO 0.04 0.67 0.37 1.25 -0.67 0.00 0.00 178.83 180.49 2vgg h HIS 422 N 1.05 0.68 -0.19 2.96 2.76 -0.34 -1.74 115.15 120.33 2vgg h HIS 422 Ca 0.46 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.46 2vgg h HIS 422 Cb 0.34 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2vgg h HIS 422 CO -0.01 0.38 -0.65 0.00 -1.30 0.00 0.00 177.93 176.35 2vgg h ALA 423 N 1.28 0.50 0.11 5.26 0.00 0.13 -2.83 119.26 123.70 2vgg h ALA 423 Ca 0.26 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2vgg h ALA 423 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vgg h ALA 423 CO -0.12 0.70 -0.05 0.82 0.00 0.00 0.00 179.25 180.59 2vgg h ILE 424 N 0.51 1.00 -0.53 0.00 2.04 -0.42 -3.18 117.51 116.94 2vgg h ILE 424 Ca -0.02 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.49 2vgg h ILE 424 Cb 1.24 1.30 -0.11 0.00 -0.74 0.00 0.00 36.82 38.52 2vgg h ILE 424 CO 0.13 0.11 -0.19 0.00 0.00 0.00 0.00 178.15 178.20 2vgg h ALA 425 N 0.49 0.24 -0.75 1.87 0.00 -1.27 0.91 119.26 120.74 2vgg h ALA 425 Ca -0.02 0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.23 2vgg h ALA 425 Cb 0.30 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2vgg h ALA 425 CO 0.03 -0.51 0.29 0.00 0.00 0.00 0.00 179.25 179.06 2vgg h ARG 426 N -0.07 0.42 -0.32 0.00 3.08 -1.51 0.72 114.38 116.70 2vgg h ARG 426 Ca 0.25 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.17 2vgg h ARG 426 Cb 0.45 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2vgg h ARG 426 CO -0.58 0.28 -0.23 0.93 -1.07 0.00 0.00 179.97 179.29 2vgg h GLU 427 N 0.43 0.73 -0.51 0.04 4.39 -0.89 -2.82 114.58 115.94 2vgg h GLU 427 Ca 0.42 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2vgg h GLU 427 Cb 0.64 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2vgg h GLU 427 CO -0.41 0.96 0.16 0.00 -1.16 0.00 0.00 179.01 178.56 2vgg h ALA 428 N 0.75 1.31 -0.21 3.43 0.00 0.18 -2.34 119.26 122.39 2vgg h ALA 428 Ca 0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2vgg h ALA 428 Cb 0.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2vgg h ALA 428 CO 0.06 0.49 -0.32 0.93 0.00 0.00 0.00 179.25 180.41 2vgg h GLU 429 N 0.74 0.42 0.00 0.00 5.08 0.57 0.57 114.58 121.97 2vgg h GLU 429 Ca 0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2vgg h GLU 429 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2vgg h GLU 429 CO -0.01 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 2vgg n ALA 430 N -2.49 1.74 0.30 3.43 0.00 -0.89 -3.48 120.51 119.12 2vgg n ALA 430 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2vgg n ALA 430 Cb 0.44 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 2vgg n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg n ALA 431 N -1.27 3.38 -1.66 0.00 0.00 0.18 -4.08 120.51 117.07 2vgg n ALA 431 Ca 0.06 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.54 2vgg n ALA 431 Cb 0.09 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 2vgg n ALA 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2vgg n VAL 432 N -1.98 1.89 -2.72 0.00 0.31 -1.18 -4.90 118.33 109.75 2vgg n VAL 432 Ca -0.01 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.43 2vgg n VAL 432 Cb 0.47 -1.35 0.01 0.00 -0.91 0.00 0.00 33.84 32.07 2vgg n VAL 432 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vgg n TYR 433 N 0.45 2.53 -0.36 3.52 9.36 -1.26 -4.89 117.16 126.52 2vgg n TYR 433 Ca 0.07 -2.60 0.02 0.00 3.32 0.00 0.00 57.90 58.71 2vgg n TYR 433 Cb 0.34 -1.33 0.08 0.00 -0.63 0.00 0.00 39.34 37.80 2vgg n TYR 433 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2vgg n HIS 434 N 0.97 0.16 0.00 2.98 8.25 -1.26 -1.42 115.22 124.90 2vgg n HIS 434 Ca 0.39 1.17 0.00 0.00 -0.26 0.00 0.00 57.72 59.02 2vgg n HIS 434 Cb 0.30 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.47 2vgg n HIS 434 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2vgg n ARG 435 N -5.46 0.00 -0.31 -0.41 0.63 -1.26 0.17 116.66 110.01 2vgg n ARG 435 Ca 0.12 0.07 0.17 0.00 -0.92 0.00 0.00 57.85 57.29 2vgg n ARG 435 Cb 0.42 -0.21 0.36 0.00 0.45 0.00 0.00 32.46 33.48 2vgg n ARG 435 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2vgg h GLN 436 N 0.00 0.21 0.79 -0.14 4.15 -1.65 -0.95 115.11 117.52 2vgg h GLN 436 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2vgg h GLN 436 Cb 0.00 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.65 2vgg h GLN 436 CO 0.00 0.14 -0.38 1.25 -1.93 0.00 0.00 178.83 177.91 2vgg h LEU 437 N 0.22 -0.90 -0.19 -2.39 5.85 0.24 0.66 115.31 118.80 2vgg h LEU 437 Ca 0.62 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.41 2vgg h LEU 437 Cb 1.34 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2vgg h LEU 437 CO -0.67 -0.54 -0.08 0.15 -0.34 0.00 0.00 178.44 176.96 2vgg h PHE 438 N -1.26 -0.19 -0.09 1.25 3.57 0.91 0.66 116.94 121.79 2vgg h PHE 438 Ca -0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2vgg h PHE 438 Cb 0.82 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 2vgg h PHE 438 CO -0.00 -0.13 -0.46 0.93 -2.23 0.00 0.00 178.31 176.41 2vgg h GLU 439 N -0.06 -0.54 -0.44 1.11 5.08 -1.08 0.36 114.58 119.02 2vgg h GLU 439 Ca 0.10 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2vgg h GLU 439 Cb 0.21 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2vgg h GLU 439 CO -0.23 -0.36 -0.00 0.93 -1.00 0.00 0.00 179.01 178.35 2vgg h GLU 440 N -0.56 0.10 0.86 2.33 5.08 0.11 0.34 114.58 122.85 2vgg h GLU 440 Ca 0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2vgg h GLU 440 Cb 0.66 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2vgg h GLU 440 CO -0.39 0.07 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.21 2vgg h LEU 441 N 0.11 -0.98 -0.40 1.33 3.38 0.80 -0.69 115.31 118.86 2vgg h LEU 441 Ca 0.22 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.26 2vgg h LEU 441 Cb 0.31 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 2vgg h LEU 441 CO -0.36 -0.67 -0.24 0.54 0.09 0.00 0.00 178.44 177.81 2vgg n ARG 442 N -5.31 -0.18 -0.14 1.13 1.74 0.12 -0.07 116.66 113.96 2vgg n ARG 442 Ca -0.14 0.99 -0.07 0.00 -0.77 0.00 0.00 57.85 57.86 2vgg n ARG 442 Cb 0.46 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2vgg n ARG 442 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2vgg h ARG 443 N 0.00 -0.20 -0.35 5.56 2.43 -0.17 -1.71 114.38 119.94 2vgg h ARG 443 Ca 0.06 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2vgg h ARG 443 Cb 0.16 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2vgg h ARG 443 CO -0.38 -0.14 -0.08 0.00 -1.51 0.00 0.00 179.97 177.87 2vgg h ALA 444 N 0.89 0.48 -2.45 2.80 0.00 -0.07 -3.44 119.26 117.47 2vgg h ALA 444 Ca 0.19 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 2vgg h ALA 444 Cb 0.53 -0.12 0.08 0.00 0.00 0.00 0.00 17.79 18.27 2vgg h ALA 444 CO -0.56 0.32 0.75 0.00 0.00 0.00 0.00 179.25 179.75 2vgg n ALA 445 N -2.42 1.64 -1.48 0.00 0.00 0.89 -4.96 120.51 114.19 2vgg n ALA 445 Ca -0.02 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 2vgg n ALA 445 Cb 0.33 -2.35 0.10 0.00 0.00 0.00 0.00 19.45 17.52 2vgg n ALA 445 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vgg s PRO 446 N -0.03 2.02 0.84 0.00 0.04 -1.26 -4.94 135.00 131.68 2vgg s PRO 446 Ca 0.70 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 2vgg s PRO 446 Cb -0.61 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.06 2vgg s PRO 446 CO 0.46 -1.69 0.69 1.28 0.04 0.00 0.00 177.00 177.78 2vgg n LEU 447 N -3.49 1.47 -4.08 -3.56 4.77 -1.26 -5.01 117.00 105.84 2vgg n LEU 447 Ca 0.07 0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 2vgg n LEU 447 Cb 0.56 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.26 2vgg n LEU 447 CO 0.56 -2.90 -0.18 -0.55 -1.33 0.00 0.00 177.39 172.99 2vgg s SER 448 N -1.91 0.19 0.00 -1.43 0.15 -1.26 -5.05 113.70 104.38 2vgg s SER 448 Ca 0.64 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2vgg s SER 448 Cb -0.27 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2vgg s SER 448 CO 0.60 -0.81 0.37 -1.14 1.20 0.00 0.00 173.24 173.47 2vgg n ARG 449 N -0.16 -0.19 -2.88 5.44 3.00 -1.26 -4.93 116.66 115.68 2vgg n ARG 449 Ca -0.06 -0.42 -0.42 0.00 -0.00 0.00 0.00 57.85 56.95 2vgg n ARG 449 Cb 0.64 -0.79 -0.04 0.00 0.00 0.00 0.00 32.46 32.26 2vgg n ARG 449 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2vgg s ASP 450 N -0.10 6.70 0.44 6.15 2.15 -1.26 -4.89 116.67 125.86 2vgg s ASP 450 Ca 0.00 0.69 0.30 0.00 0.43 0.00 0.00 52.55 53.97 2vgg s ASP 450 Cb 0.00 -2.44 1.43 0.00 -0.30 0.00 0.00 42.92 41.61 2vgg s ASP 450 CO 0.00 -0.69 1.62 -0.65 -0.17 0.00 0.00 175.17 175.28 2vgg h PRO 451 N 8.18 0.08 -0.09 4.34 0.11 -1.94 0.97 132.00 143.65 2vgg h PRO 451 Ca -0.24 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2vgg h PRO 451 Cb 1.09 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2vgg h PRO 451 CO 0.92 0.05 0.01 1.15 -0.21 0.00 0.00 178.00 179.92 2vgg h THR 452 N 0.08 1.24 -0.45 -1.15 2.02 -1.91 0.98 112.91 113.72 2vgg h THR 452 Ca 0.82 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 67.28 2vgg h THR 452 Cb 2.59 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 70.53 2vgg h THR 452 CO -0.42 0.21 0.26 -0.33 0.37 0.00 0.00 175.52 175.62 2vgg h GLU 453 N -0.10 0.51 -0.22 6.66 5.08 -1.19 -0.89 114.58 124.43 2vgg h GLU 453 Ca 0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2vgg h GLU 453 Cb 0.33 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2vgg h GLU 453 CO 0.00 0.34 -0.11 0.28 -1.00 0.00 0.00 179.01 178.52 2vgg h VAL 454 N 0.53 0.66 -0.57 3.13 2.07 -1.21 0.19 116.25 121.05 2vgg h VAL 454 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2vgg h VAL 454 Cb 0.03 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2vgg h VAL 454 CO -0.09 0.00 0.36 0.74 0.02 0.00 0.00 177.57 178.60 2vgg h THR 455 N -0.09 1.16 0.61 2.57 2.02 -0.44 -2.09 112.91 116.65 2vgg h THR 455 Ca 0.12 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2vgg h THR 455 Cb 0.26 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2vgg h THR 455 CO -0.27 0.16 -0.42 0.00 0.37 0.00 0.00 175.52 175.36 2vgg h ALA 456 N 1.19 -1.19 -0.69 6.16 0.00 -0.26 0.46 119.26 124.93 2vgg h ALA 456 Ca 0.21 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2vgg h ALA 456 Cb -0.05 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2vgg h ALA 456 CO -0.04 -1.16 0.36 0.97 0.00 0.00 0.00 179.25 179.37 2vgg h ILE 457 N -0.97 0.90 -0.90 0.00 2.10 -0.66 0.47 117.51 118.43 2vgg h ILE 457 Ca -0.08 -0.22 0.05 0.00 1.08 0.00 0.00 64.86 65.70 2vgg h ILE 457 Cb 0.79 0.21 -0.06 0.00 -1.09 0.00 0.00 36.82 36.68 2vgg h ILE 457 CO 0.06 0.12 0.57 1.23 -1.08 0.00 0.00 178.15 179.04 2vgg h GLY 458 N 0.63 1.35 1.14 8.18 0.00 -1.02 0.47 103.07 113.82 2vgg h GLY 458 Ca 0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2vgg h GLY 458 CO -0.23 0.32 0.28 0.00 0.00 0.00 0.00 176.54 176.90 2vgg h ALA 459 N 1.40 1.11 0.11 3.60 0.00 0.20 -1.17 119.26 124.52 2vgg h ALA 459 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2vgg h ALA 459 Cb 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2vgg h ALA 459 CO -0.15 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 179.95 2vgg h VAL 460 N 1.06 1.04 -0.78 0.00 2.07 0.36 0.31 116.25 120.30 2vgg h VAL 460 Ca 0.24 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.35 2vgg h VAL 460 Cb 0.22 1.40 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 2vgg h VAL 460 CO -0.02 0.14 0.31 -0.08 0.02 0.00 0.00 177.57 177.94 2vgg h GLU 461 N -0.41 0.42 -0.52 1.57 4.57 -0.83 -0.16 114.58 119.24 2vgg h GLU 461 Ca -0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2vgg h GLU 461 Cb 0.34 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2vgg h GLU 461 CO 0.02 0.28 0.21 0.00 -1.18 0.00 0.00 179.01 178.35 2vgg h ALA 462 N 1.58 0.67 -0.43 2.92 0.00 -0.77 -2.08 119.26 121.15 2vgg h ALA 462 Ca 0.44 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2vgg h ALA 462 Cb 0.69 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2vgg h ALA 462 CO -0.43 0.27 -0.38 0.00 0.00 0.00 0.00 179.25 178.71 2vgg h ALA 463 N 1.06 -0.30 -0.84 0.00 0.00 0.43 -1.46 119.26 118.15 2vgg h ALA 463 Ca 0.17 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2vgg h ALA 463 Cb 0.18 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2vgg h ALA 463 CO -0.02 -0.80 0.54 0.74 0.00 0.00 0.00 179.25 179.72 2vgg h PHE 464 N -0.28 1.01 -0.08 0.00 -1.00 -0.81 -0.77 116.94 115.02 2vgg h PHE 464 Ca 0.16 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.99 2vgg h PHE 464 Cb 0.57 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2vgg h PHE 464 CO -0.60 0.58 0.06 -0.22 -1.61 0.00 0.00 178.31 176.52 2vgg h LYS 465 N 1.05 0.00 0.00 1.51 1.63 -0.57 -2.79 116.57 117.40 2vgg h LYS 465 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2vgg h LYS 465 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2vgg h LYS 465 CO -0.12 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.88 2vgg n ALA 468 N -4.62 -1.99 0.19 0.00 0.00 -0.39 -4.83 120.51 108.86 2vgg n ALA 468 Ca -0.08 0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.86 2vgg n ALA 468 Cb 0.59 -1.82 0.37 0.00 0.00 0.00 0.00 19.45 18.58 2vgg n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg h ALA 469 N 2.22 1.30 -2.09 0.00 0.00 -1.72 -3.41 119.26 115.55 2vgg h ALA 469 Ca -0.38 -0.34 0.19 0.00 0.00 0.00 0.00 54.91 54.37 2vgg h ALA 469 Cb 1.39 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 2vgg h ALA 469 CO 0.63 0.47 0.57 0.00 0.00 0.00 0.00 179.25 180.92 2vgg s ALA 470 N -4.07 -1.84 -0.12 0.00 0.00 -1.26 -3.49 121.76 110.97 2vgg s ALA 470 Ca -0.02 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.61 2vgg s ALA 470 Cb 0.14 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2vgg s ALA 470 CO 0.71 -0.89 -0.21 0.42 0.00 0.00 0.00 175.76 175.80 2vgg s ILE 471 N -3.01 2.26 -0.39 0.00 1.01 0.28 -1.68 121.20 119.67 2vgg s ILE 471 Ca 0.10 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 2vgg s ILE 471 Cb -0.00 -1.90 0.07 0.00 0.01 0.00 0.00 42.46 40.64 2vgg s ILE 471 CO -0.03 0.55 0.20 -0.63 0.00 0.00 0.00 174.94 175.03 2vgg s ILE 472 N 0.56 3.95 0.01 2.92 1.01 -0.36 -0.09 121.20 129.21 2vgg s ILE 472 Ca -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 60.65 59.11 2vgg s ILE 472 Cb -0.17 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2vgg s ILE 472 CO 0.04 -0.43 0.15 0.68 0.00 0.00 0.00 174.94 175.38 2vgg s VAL 473 N 1.38 5.18 -0.32 2.92 -7.23 0.19 -1.57 120.40 120.95 2vgg s VAL 473 Ca 0.02 -0.31 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 2vgg s VAL 473 Cb -0.22 -3.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 2vgg s VAL 473 CO 0.01 0.28 0.21 -0.76 -0.31 0.00 0.00 175.10 174.53 2vgg s LEU 474 N -2.03 4.30 -0.02 1.32 1.02 -0.99 -0.35 118.68 121.94 2vgg s LEU 474 Ca 0.28 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 54.09 2vgg s LEU 474 Cb -0.12 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 43.99 2vgg s LEU 474 CO 0.20 -0.18 -0.07 0.28 0.02 0.00 0.00 176.35 176.60 2vgg s THR 475 N 1.71 0.57 -0.05 5.49 -1.32 0.34 -4.86 115.64 117.50 2vgg s THR 475 Ca 0.06 -0.26 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 2vgg s THR 475 Cb -0.17 -0.51 -0.30 0.00 -1.51 0.00 0.00 72.50 70.00 2vgg s THR 475 CO 0.10 0.18 0.64 0.74 -2.21 0.00 0.00 174.62 174.07 2vgg h THR 476 N 5.33 0.91 0.00 5.08 2.02 -1.89 -3.37 112.91 120.98 2vgg h THR 476 Ca -0.32 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.36 2vgg h THR 476 Cb 1.17 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2vgg h THR 476 CO 0.49 0.86 0.00 0.35 0.37 0.00 0.00 175.52 177.60 2vgg n THR 477 N -3.58 0.62 0.00 3.16 -2.24 -1.26 -4.56 114.28 106.42 2vgg n THR 477 Ca -0.25 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2vgg n THR 477 Cb 1.07 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 2vgg n THR 477 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vgg n GLY 478 N -0.31 3.13 0.33 3.38 0.00 -1.26 -4.90 105.19 105.55 2vgg n GLY 478 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 2vgg n GLY 478 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2vgg h HIS 479 N 0.00 0.81 -0.07 1.61 -0.00 -1.94 0.43 115.15 116.00 2vgg h HIS 479 Ca 0.00 0.04 -0.15 0.00 -0.00 0.00 0.00 60.37 60.26 2vgg h HIS 479 Cb 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2vgg h HIS 479 CO 0.00 -0.37 -0.63 0.77 -0.00 0.00 0.00 177.93 177.70 2vgg h SER 480 N 0.12 0.30 0.15 3.26 0.02 -1.93 -2.05 113.55 113.43 2vgg h SER 480 Ca 0.79 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 61.40 2vgg h SER 480 Cb 1.97 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.42 2vgg h SER 480 CO -0.72 0.85 -0.58 0.00 -1.14 0.00 0.00 176.83 175.25 2vgg h ALA 481 N 1.15 0.74 -0.44 3.77 0.00 -0.59 -2.52 119.26 121.37 2vgg h ALA 481 Ca -0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2vgg h ALA 481 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2vgg h ALA 481 CO 0.10 0.70 0.03 0.37 0.00 0.00 0.00 179.25 180.45 2vgg h GLN 482 N 0.33 0.76 -0.75 0.00 4.15 -0.88 -1.75 115.11 116.97 2vgg h GLN 482 Ca -0.00 -0.23 0.03 0.00 0.77 0.00 0.00 58.65 59.23 2vgg h GLN 482 Cb 1.11 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 2vgg h GLN 482 CO 0.10 0.81 0.48 -0.07 -1.93 0.00 0.00 178.83 178.22 2vgg h LEU 483 N 0.61 0.78 -0.12 -2.39 3.38 -1.29 0.33 115.31 116.60 2vgg h LEU 483 Ca 0.13 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vgg h LEU 483 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2vgg h LEU 483 CO 0.02 0.54 0.07 -0.07 0.09 0.00 0.00 178.44 179.08 2vgg h LEU 484 N 0.92 0.15 -0.34 1.67 3.38 -1.14 -3.14 115.31 116.81 2vgg h LEU 484 Ca 0.30 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2vgg h LEU 484 Cb 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2vgg h LEU 484 CO -0.12 0.18 0.10 0.77 0.09 0.00 0.00 178.44 179.46 2vgg h SER 485 N 0.11 0.49 -0.12 -0.43 4.64 -0.83 -1.98 113.55 115.43 2vgg h SER 485 Ca 0.04 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2vgg h SER 485 Cb 0.06 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2vgg h SER 485 CO -0.01 0.57 0.00 -1.14 -0.87 0.00 0.00 176.83 175.38 2vgg n ARG 486 N -4.66 -0.01 -0.08 4.77 0.63 0.06 0.38 116.66 117.76 2vgg n ARG 486 Ca -0.01 0.18 0.11 0.00 -0.92 0.00 0.00 57.85 57.21 2vgg n ARG 486 Cb 0.17 -0.28 0.37 0.00 0.45 0.00 0.00 32.46 33.16 2vgg n ARG 486 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2vgg n TYR 487 N -3.86 0.20 -3.28 -0.14 4.02 -0.74 -4.92 117.16 108.44 2vgg n TYR 487 Ca 0.03 -0.10 -0.15 0.00 -0.01 0.00 0.00 57.90 57.66 2vgg n TYR 487 Cb 0.09 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.49 2vgg n TYR 487 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2vgg n ARG 488 N 0.48 -3.78 -0.91 -0.72 5.12 1.23 -4.68 116.66 113.40 2vgg n ARG 488 Ca 0.17 0.84 -0.31 0.00 -1.93 0.00 0.00 57.85 56.62 2vgg n ARG 488 Cb 0.38 -5.76 0.15 0.00 -1.16 0.00 0.00 32.46 26.07 2vgg n ARG 488 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2vgg s PRO 489 N -4.72 1.24 0.03 5.56 0.02 -1.26 -4.85 135.00 131.02 2vgg s PRO 489 Ca 0.28 1.28 0.13 0.00 0.02 0.00 0.00 61.00 62.71 2vgg s PRO 489 Cb -0.04 -1.77 -0.19 0.00 0.02 0.00 0.00 34.50 32.53 2vgg s PRO 489 CO 0.72 -2.39 0.87 -0.09 -0.33 0.00 0.00 177.00 175.78 2vgg h ARG 490 N -1.68 0.00 -7.09 5.54 2.43 -1.94 -3.46 114.38 108.17 2vgg h ARG 490 Ca -0.46 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.24 2vgg h ARG 490 Cb 1.26 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.84 2vgg h ARG 490 CO 0.47 0.55 0.38 0.00 -1.51 0.00 0.00 179.97 179.85 2vgg s ALA 491 N -2.72 2.88 0.41 2.80 0.00 -1.26 -4.96 121.76 118.90 2vgg s ALA 491 Ca -0.03 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 2vgg s ALA 491 Cb 0.08 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2vgg s ALA 491 CO 0.82 -0.33 1.33 0.00 0.00 0.00 0.00 175.76 177.57 2vgg s ALA 492 N -2.07 3.29 -0.54 0.00 0.00 -1.23 -4.65 121.76 116.55 2vgg s ALA 492 Ca 0.66 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 2vgg s ALA 492 Cb -0.15 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.59 2vgg s ALA 492 CO 0.22 -0.88 0.46 0.08 0.00 0.00 0.00 175.76 175.64 2vgg s VAL 493 N -1.24 4.77 -0.41 0.00 1.01 -0.42 0.10 120.40 124.21 2vgg s VAL 493 Ca 0.57 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 2vgg s VAL 493 Cb -0.39 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 31.93 2vgg s VAL 493 CO 0.51 -0.85 0.97 -0.63 0.00 0.00 0.00 175.10 175.10 2vgg s ILE 494 N 1.30 4.49 -0.25 2.22 1.01 0.87 -0.79 121.20 130.05 2vgg s ILE 494 Ca 0.06 1.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 2vgg s ILE 494 Cb -0.26 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 2vgg s ILE 494 CO 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 174.94 174.35 2vgg s ALA 495 N 3.73 3.33 -0.14 9.38 0.00 -0.89 -0.64 121.76 136.52 2vgg s ALA 495 Ca 0.40 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 2vgg s ALA 495 Cb -0.11 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2vgg s ALA 495 CO 0.23 -0.43 0.08 0.08 0.00 0.00 0.00 175.76 175.71 2vgg s VAL 496 N 1.52 4.93 -0.10 0.00 1.01 0.53 -1.26 120.40 127.03 2vgg s VAL 496 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 2vgg s VAL 496 Cb -0.15 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2vgg s VAL 496 CO 0.06 0.54 0.60 0.28 0.00 0.00 0.00 175.10 176.58 2vgg s THR 497 N -0.34 0.01 -0.84 3.92 -1.32 -0.91 -0.51 115.64 115.65 2vgg s THR 497 Ca 0.09 -0.08 0.23 0.00 -1.21 0.00 0.00 61.69 60.72 2vgg s THR 497 Cb -0.12 -0.90 -0.13 0.00 -1.51 0.00 0.00 72.50 69.85 2vgg s THR 497 CO 0.02 -0.04 1.08 0.54 -2.21 0.00 0.00 174.62 174.00 2vgg n ARG 498 N 1.55 0.12 -2.53 7.08 1.74 -1.26 -0.48 116.66 122.89 2vgg n ARG 498 Ca -0.18 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 2vgg n ARG 498 Cb 0.56 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 2vgg n ARG 498 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vgg s SER 499 N -3.35 6.17 0.26 0.55 0.15 -1.26 -4.82 113.70 111.40 2vgg s SER 499 Ca 0.07 -0.58 -0.05 0.00 0.70 0.00 0.00 55.95 56.09 2vgg s SER 499 Cb 0.16 -2.56 0.51 0.00 -1.71 0.00 0.00 66.02 62.42 2vgg s SER 499 CO 0.80 -1.82 1.61 0.00 1.20 0.00 0.00 173.24 175.03 2vgg h ALA 500 N 10.21 0.84 -0.26 5.45 0.00 -1.95 0.11 119.26 133.66 2vgg h ALA 500 Ca -0.20 0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2vgg h ALA 500 Cb 1.05 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2vgg h ALA 500 CO 1.30 -0.45 0.12 0.37 0.00 0.00 0.00 179.25 180.59 2vgg h GLN 501 N 0.06 0.25 -0.21 0.00 4.15 -1.99 -1.97 115.11 115.41 2vgg h GLN 501 Ca 0.46 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.90 2vgg h GLN 501 Cb 0.84 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2vgg h GLN 501 CO -0.78 0.17 0.04 0.00 -1.93 0.00 0.00 178.83 176.33 2vgg h ALA 502 N 1.13 0.21 -0.88 3.38 0.00 -1.49 0.46 119.26 122.07 2vgg h ALA 502 Ca 0.11 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.31 2vgg h ALA 502 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2vgg h ALA 502 CO -0.08 -0.39 0.63 0.00 0.00 0.00 0.00 179.25 179.42 2vgg h ALA 503 N 1.15 2.83 0.00 0.00 0.00 -0.42 -1.98 119.26 120.84 2vgg h ALA 503 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2vgg h ALA 503 Cb 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vgg h ALA 503 CO -0.13 -1.09 -0.15 0.00 0.00 0.00 0.00 179.25 177.89 2vgg h ARG 504 N 0.00 0.00 -0.04 0.00 3.08 0.48 -3.34 114.38 114.56 2vgg h ARG 504 Ca 0.42 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.48 2vgg h ARG 504 Cb 1.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 2vgg h ARG 504 CO -0.00 0.67 0.10 1.96 -1.07 0.00 0.00 179.97 181.62 2vgg h GLN 505 N -1.00 0.00 0.00 0.04 4.20 0.08 -2.13 115.11 116.30 2vgg h GLN 505 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2vgg h GLN 505 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2vgg h GLN 505 CO -0.02 0.00 0.00 0.28 -0.67 0.00 0.00 178.83 178.42 2vgg h VAL 506 N 0.00 0.00 -0.00 -0.54 2.07 -1.51 -2.23 116.25 114.03 2vgg h VAL 506 Ca 0.02 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2vgg h VAL 506 Cb 0.21 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2vgg h VAL 506 CO -0.00 0.00 0.20 0.45 0.02 0.00 0.00 177.57 178.24 2vgg h HIS 507 N 0.00 0.00 0.00 1.57 3.86 -1.58 0.47 115.15 119.46 2vgg h HIS 507 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vgg h HIS 507 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2vgg h HIS 507 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2vgg n LEU 508 N -2.99 0.00 -4.09 2.43 4.32 -0.84 -4.57 117.00 111.26 2vgg n LEU 508 Ca -0.02 0.37 -0.32 0.00 -0.02 0.00 0.00 56.01 56.02 2vgg n LEU 508 Cb 0.25 -0.37 -0.15 0.00 -1.62 0.00 0.00 43.42 41.53 2vgg n LEU 508 CO 0.16 -0.30 -0.48 0.00 -1.22 0.00 0.00 177.39 175.55 2vgg n ARG 510 N 4.51 0.31 -0.76 0.00 0.63 -1.26 -1.80 116.66 118.30 2vgg n ARG 510 Ca -0.17 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2vgg n ARG 510 Cb 0.45 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2vgg n ARG 510 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vgg n GLY 511 N 1.92 0.37 3.83 5.14 0.00 -0.96 -4.74 105.19 110.74 2vgg n GLY 511 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2vgg n GLY 511 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 512 N -2.07 5.00 -0.25 1.61 1.01 -0.74 -1.30 120.40 123.66 2vgg s VAL 512 Ca 0.00 0.88 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 2vgg s VAL 512 Cb 0.00 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.72 2vgg s VAL 512 CO 0.00 0.57 0.02 -0.36 0.00 0.00 0.00 175.10 175.33 2vgg s PHE 513 N -1.02 1.97 0.33 5.22 0.40 0.03 -4.82 117.98 120.08 2vgg s PHE 513 Ca 0.24 -1.61 -0.19 0.00 -0.60 0.00 0.00 56.93 54.77 2vgg s PHE 513 Cb -0.17 -1.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.69 2vgg s PHE 513 CO 0.14 -0.77 0.82 -1.25 0.70 0.00 0.00 175.22 174.85 2vgg s PRO 514 N 1.53 4.21 -0.09 0.24 0.05 -1.26 -2.10 135.00 137.57 2vgg s PRO 514 Ca 0.01 0.93 0.01 0.00 0.05 0.00 0.00 61.00 61.99 2vgg s PRO 514 Cb -0.18 -2.53 0.02 0.00 0.05 0.00 0.00 34.50 31.86 2vgg s PRO 514 CO -0.12 0.19 -0.09 -0.51 0.05 0.00 0.00 177.00 176.52 2vgg s LEU 515 N -2.65 1.35 -0.19 -3.56 1.43 -0.39 -4.73 118.68 109.95 2vgg s LEU 515 Ca 0.53 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2vgg s LEU 515 Cb -0.13 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2vgg s LEU 515 CO 0.18 -0.06 0.45 -0.22 0.23 0.00 0.00 176.35 176.93 2vgg s LEU 516 N 1.30 4.16 -0.23 1.79 2.96 -1.26 -2.15 118.68 125.27 2vgg s LEU 516 Ca -0.03 0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 54.39 2vgg s LEU 516 Cb -0.14 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 2vgg s LEU 516 CO -0.04 -0.11 0.14 -0.47 -1.32 0.00 0.00 176.35 174.56 2vgg s TYR 517 N 1.37 3.33 -0.19 5.38 5.04 0.37 -4.95 117.35 127.70 2vgg s TYR 517 Ca 0.22 0.23 0.14 0.00 -2.44 0.00 0.00 57.07 55.22 2vgg s TYR 517 Cb -0.15 -2.23 -0.22 0.00 0.35 0.00 0.00 41.96 39.72 2vgg s TYR 517 CO 0.09 0.12 0.02 0.54 -1.34 0.00 0.00 175.55 174.98 2vgg n ARG 518 N 4.05 0.93 -1.57 4.97 1.74 -1.26 -4.36 116.66 121.16 2vgg n ARG 518 Ca -0.15 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.56 2vgg n ARG 518 Cb 0.52 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 2vgg n ARG 518 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2vgg n GLU 519 N -2.76 0.75 -2.24 5.56 -0.58 -1.26 -4.98 120.64 115.14 2vgg n GLU 519 Ca -0.32 0.30 -0.33 0.00 -0.42 0.00 0.00 57.16 56.39 2vgg n GLU 519 Cb 1.08 -2.04 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 2vgg n GLU 519 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2vgg s PRO 520 N -2.62 3.59 0.61 3.49 0.05 -1.26 -4.99 135.00 133.88 2vgg s PRO 520 Ca 0.74 1.15 -0.19 0.00 0.05 0.00 0.00 61.00 62.75 2vgg s PRO 520 Cb -0.42 -2.08 -0.03 0.00 0.05 0.00 0.00 34.50 32.03 2vgg s PRO 520 CO 0.49 -0.58 1.29 -2.14 0.05 0.00 0.00 177.00 176.10 2vgg s PRO 521 N -3.94 2.79 0.66 0.56 0.02 -1.26 -5.00 135.00 128.82 2vgg s PRO 521 Ca 0.63 2.04 -0.12 0.00 0.02 0.00 0.00 61.00 63.57 2vgg s PRO 521 Cb -0.14 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 2vgg s PRO 521 CO 0.32 -1.41 1.05 -1.21 -0.33 0.00 0.00 177.00 175.43 2vgg s GLU 522 N -3.26 3.12 0.05 5.54 0.41 -1.26 -5.01 118.70 118.29 2vgg s GLU 522 Ca 0.79 0.99 -0.34 0.00 -0.41 0.00 0.00 54.97 55.99 2vgg s GLU 522 Cb -0.36 -2.01 -0.19 0.00 -1.78 0.00 0.00 34.13 29.78 2vgg s GLU 522 CO 0.40 -0.96 1.46 0.00 -0.49 0.00 0.00 175.26 175.67 2vgg h ALA 523 N -0.38 -1.17 -2.29 5.21 0.00 -2.00 -3.41 119.26 115.22 2vgg h ALA 523 Ca -0.45 -0.26 -0.55 0.00 0.00 0.00 0.00 54.91 53.65 2vgg h ALA 523 Cb 1.21 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2vgg h ALA 523 CO 0.58 -1.12 0.75 0.42 0.00 0.00 0.00 179.25 179.88 2vgg s ILE 524 N -5.65 4.20 0.00 0.00 1.01 -1.26 -5.00 121.20 114.51 2vgg s ILE 524 Ca -0.18 1.52 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2vgg s ILE 524 Cb 0.02 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2vgg s ILE 524 CO 0.56 -0.02 0.00 1.87 0.00 0.00 0.00 174.94 177.35 2vgg n TRP 525 N 5.45 0.00 0.00 3.97 -0.00 -1.26 -2.69 117.44 122.91 2vgg n TRP 525 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.62 2vgg n TRP 525 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 2vgg n TRP 525 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2vgg n ALA 526 N -3.00 0.00 -0.33 5.87 0.00 -1.26 0.42 120.51 122.21 2vgg n ALA 526 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2vgg n ALA 526 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 2vgg n ALA 526 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vgg h ASP 527 N 0.00 0.53 -0.51 0.00 3.32 -1.96 0.40 116.42 118.20 2vgg h ASP 527 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2vgg h ASP 527 Cb 0.00 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2vgg h ASP 527 CO 0.00 0.08 0.32 -0.78 -1.72 0.00 0.00 179.24 177.14 2vgg h ASP 528 N 0.52 0.61 0.54 6.45 3.58 0.86 0.40 116.42 129.38 2vgg h ASP 528 Ca 0.59 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.98 2vgg h ASP 528 Cb 1.10 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 2vgg h ASP 528 CO -0.48 0.47 -0.41 0.58 -2.88 0.00 0.00 179.24 176.52 2vgg h VAL 529 N 0.69 0.00 -0.91 2.25 2.07 -0.43 -2.10 116.25 117.82 2vgg h VAL 529 Ca 0.19 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.94 2vgg h VAL 529 Cb -0.04 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.60 2vgg h VAL 529 CO -0.04 0.00 0.39 0.44 0.02 0.00 0.00 177.57 178.39 2vgg h ASP 530 N -0.91 0.31 -0.90 0.57 3.32 -0.21 0.21 116.42 118.81 2vgg h ASP 530 Ca -0.07 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2vgg h ASP 530 Cb 0.75 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 2vgg h ASP 530 CO 0.02 -0.04 0.52 0.03 -1.72 0.00 0.00 179.24 178.05 2vgg h ARG 531 N 0.37 1.25 -0.00 3.56 2.47 -0.59 -0.44 114.38 120.98 2vgg h ARG 531 Ca 0.58 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 59.17 2vgg h ARG 531 Cb 1.14 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 29.21 2vgg h ARG 531 CO -0.56 0.90 -0.00 0.00 0.56 0.00 0.00 179.97 180.87 2vgg h ARG 532 N 1.26 0.01 0.29 0.04 3.08 0.05 0.32 114.38 119.42 2vgg h ARG 532 Ca 0.32 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 2vgg h ARG 532 Cb -0.01 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2vgg h ARG 532 CO -0.06 0.39 -0.47 0.28 -1.07 0.00 0.00 179.97 179.04 2vgg h VAL 533 N -0.37 0.00 -0.95 2.04 2.07 -1.17 0.18 116.25 118.05 2vgg h VAL 533 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 2vgg h VAL 533 Cb 0.38 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 2vgg h VAL 533 CO 0.00 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.78 2vgg h GLN 534 N -0.80 0.36 -0.29 1.57 7.50 -1.06 0.66 115.11 123.06 2vgg h GLN 534 Ca -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 2vgg h GLN 534 Cb 0.74 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.17 2vgg h GLN 534 CO -0.15 0.24 0.17 0.35 -1.50 0.00 0.00 178.83 177.94 2vgg h PHE 535 N 0.37 0.38 0.13 2.96 3.57 0.11 -1.28 116.94 123.19 2vgg h PHE 535 Ca 0.50 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2vgg h PHE 535 Cb 1.31 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2vgg h PHE 535 CO -0.00 0.29 -0.13 0.78 -2.23 0.00 0.00 178.31 177.02 2vgg h GLY 536 N 0.36 -0.28 -0.09 2.40 0.00 0.31 -1.38 103.07 104.39 2vgg h GLY 536 Ca 0.10 0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.69 2vgg h GLY 536 CO -0.02 -0.14 -0.16 -2.22 0.00 0.00 0.00 176.54 174.00 2vgg h ILE 537 N -0.29 0.43 -0.18 2.60 2.04 -0.84 0.18 117.51 121.44 2vgg h ILE 537 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2vgg h ILE 537 Cb 0.28 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2vgg h ILE 537 CO -0.04 0.00 0.03 -0.08 0.00 0.00 0.00 178.15 178.06 2vgg h GLU 538 N -0.04 0.29 -0.01 2.37 4.81 -1.00 0.11 114.58 121.11 2vgg h GLU 538 Ca 0.25 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2vgg h GLU 538 Cb 0.42 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2vgg h GLU 538 CO -0.55 0.46 -0.06 0.77 -0.73 0.00 0.00 179.01 178.90 2vgg h SER 539 N 0.08 0.02 0.11 1.04 0.02 -0.90 -1.86 113.55 112.05 2vgg h SER 539 Ca 0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2vgg h SER 539 Cb 0.31 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2vgg h SER 539 CO 0.00 0.08 -0.05 1.23 -1.14 0.00 0.00 176.83 176.95 2vgg h GLY 540 N 0.21 -0.15 0.87 -3.77 0.00 0.15 -1.70 103.07 98.67 2vgg h GLY 540 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2vgg h GLY 540 CO 0.01 -0.06 -0.00 0.50 0.00 0.00 0.00 176.54 176.99 2vgg h LYS 541 N -0.38 -0.01 -0.98 4.80 1.57 -0.56 -0.94 116.57 120.08 2vgg h LYS 541 Ca -0.01 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 2vgg h LYS 541 Cb 0.31 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 2vgg h LYS 541 CO 0.02 0.13 0.57 1.25 -0.57 0.00 0.00 179.45 180.85 2vgg h LEU 542 N -0.15 0.69 -1.35 2.94 6.46 -1.32 0.10 115.31 122.69 2vgg h LEU 542 Ca -0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 2vgg h LEU 542 Cb 0.14 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2vgg h LEU 542 CO 0.00 0.20 0.00 0.54 -0.62 0.00 0.00 178.44 178.56 2vgg n ARG 543 N -4.83 1.90 -2.17 1.25 1.74 -0.64 -4.94 116.66 108.95 2vgg n ARG 543 Ca 0.23 -1.34 -0.04 0.00 -0.77 0.00 0.00 57.85 55.94 2vgg n ARG 543 Cb 0.61 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2vgg n ARG 543 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vgg n GLY 544 N 1.22 0.27 0.14 -0.13 0.00 0.02 -4.95 105.19 101.77 2vgg n GLY 544 Ca 0.17 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2vgg n GLY 544 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2vgg h PHE 545 N -0.08 0.65 -3.93 1.61 0.05 -1.41 -3.46 116.94 110.37 2vgg h PHE 545 Ca -0.10 -0.48 -0.32 0.00 3.82 0.00 0.00 57.97 60.90 2vgg h PHE 545 Cb 1.07 -0.03 -0.26 0.00 2.00 0.00 0.00 35.95 38.73 2vgg h PHE 545 CO 0.11 1.60 -0.75 -0.48 -0.18 0.00 0.00 178.31 178.61 2vgg s LEU 546 N -7.21 2.08 0.20 1.54 2.34 -1.22 -4.82 118.68 111.59 2vgg s LEU 546 Ca -0.14 -0.22 0.08 0.00 0.06 0.00 0.00 54.13 53.90 2vgg s LEU 546 Cb 0.06 -0.26 -0.05 0.00 -0.56 0.00 0.00 46.19 45.38 2vgg s LEU 546 CO 0.85 -0.00 -0.14 -0.13 -1.06 0.00 0.00 176.35 175.87 2vgg s ARG 547 N -0.53 1.31 0.34 1.48 1.81 -1.26 -4.02 118.95 118.07 2vgg s ARG 547 Ca -0.01 -1.58 -0.24 0.00 -1.72 0.00 0.00 55.73 52.17 2vgg s ARG 547 Cb -0.04 -1.09 -0.15 0.00 -0.45 0.00 0.00 34.95 33.22 2vgg s ARG 547 CO -0.00 0.18 0.50 0.28 -0.68 0.00 0.00 175.30 175.58 2vgg n VAL 548 N -0.37 1.61 0.00 3.52 0.31 -1.26 -1.69 118.33 120.45 2vgg n VAL 548 Ca -0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2vgg n VAL 548 Cb 0.60 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2vgg n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vgg n GLY 549 N 1.89 3.15 3.74 2.92 0.00 -1.26 -5.00 105.19 110.63 2vgg n GLY 549 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2vgg n GLY 549 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vgg s ASP 550 N -0.67 4.30 0.11 1.61 1.01 -0.68 -4.69 116.67 117.66 2vgg s ASP 550 Ca 0.00 2.14 0.02 0.00 0.71 0.00 0.00 52.55 55.41 2vgg s ASP 550 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2vgg s ASP 550 CO 0.00 -2.18 0.23 -0.76 0.21 0.00 0.00 175.17 172.67 2vgg s LEU 551 N -5.43 4.28 0.04 1.23 1.43 -1.26 0.54 118.68 119.50 2vgg s LEU 551 Ca 0.69 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 2vgg s LEU 551 Cb -0.24 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2vgg s LEU 551 CO 0.48 0.11 -0.07 0.54 0.23 0.00 0.00 176.35 177.64 2vgg s VAL 552 N -1.62 0.49 -0.20 -1.59 0.11 0.67 -1.95 120.40 116.31 2vgg s VAL 552 Ca 0.34 -1.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.19 2vgg s VAL 552 Cb -0.12 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2vgg s VAL 552 CO 0.28 -0.47 -0.03 -0.63 -3.33 0.00 0.00 175.10 170.92 2vgg s ILE 553 N -1.69 3.71 -0.16 7.04 -1.09 -0.68 -2.09 121.20 126.24 2vgg s ILE 553 Ca -0.08 -0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 57.88 2vgg s ILE 553 Cb -0.08 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2vgg s ILE 553 CO -0.01 0.44 0.03 -0.69 -1.23 0.00 0.00 174.94 173.49 2vgg s VAL 554 N 1.01 4.52 -0.15 2.92 1.01 -0.26 -1.22 120.40 128.24 2vgg s VAL 554 Ca 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2vgg s VAL 554 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2vgg s VAL 554 CO 0.01 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 2vgg s VAL 555 N 0.14 2.39 0.13 2.92 1.01 -0.61 -0.93 120.40 125.46 2vgg s VAL 555 Ca 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2vgg s VAL 555 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2vgg s VAL 555 CO 0.01 0.53 0.18 0.35 0.00 0.00 0.00 175.10 176.17 2vgg n THR 556 N 4.03 0.00 -4.39 3.92 -2.24 -0.78 -2.34 114.28 112.48 2vgg n THR 556 Ca -0.19 -0.71 -0.25 0.00 -2.27 0.00 0.00 64.05 60.62 2vgg n THR 556 Cb 0.52 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 2vgg n THR 556 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vgg s GLY 557 N -1.83 1.77 0.42 3.38 0.00 -1.26 -1.09 107.32 108.71 2vgg s GLY 557 Ca 0.12 -1.70 0.23 0.00 0.00 0.00 0.00 44.72 43.37 2vgg s GLY 557 CO 0.08 -1.75 1.74 0.11 0.00 0.00 0.00 173.10 173.28 2vgg h TRP 558 N 2.56 0.00 -3.82 1.90 5.08 -1.92 -3.47 115.95 116.28 2vgg h TRP 558 Ca -0.44 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.44 2vgg h TRP 558 Cb 1.23 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.27 2vgg h TRP 558 CO 0.72 0.22 -0.31 -0.98 -1.28 0.00 0.00 178.44 176.81 2vgg s ARG 559 N -3.45 1.07 0.76 0.12 1.04 -1.26 -5.08 118.95 112.15 2vgg s ARG 559 Ca 0.02 -1.08 -0.11 0.00 -1.04 0.00 0.00 55.73 53.52 2vgg s ARG 559 Cb 0.09 0.38 0.05 0.00 -2.04 0.00 0.00 34.95 33.42 2vgg s ARG 559 CO 0.65 -0.38 1.08 -2.14 -0.04 0.00 0.00 175.30 174.47 2vgg s PRO 560 N -3.93 2.39 0.00 3.89 0.02 -1.26 -4.87 135.00 131.24 2vgg s PRO 560 Ca 0.13 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.18 2vgg s PRO 560 Cb 0.04 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2vgg s PRO 560 CO -0.04 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 2vgg n GLY 561 N -1.52 0.67 3.98 0.52 0.00 -1.26 -5.00 105.19 102.58 2vgg n GLY 561 Ca 0.08 -2.19 -0.20 0.00 0.00 0.00 0.00 46.02 43.72 2vgg n GLY 561 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 562 N 0.00 6.03 -0.22 1.61 1.04 -1.26 -4.54 113.70 116.36 2vgg s SER 562 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2vgg s SER 562 Cb 0.00 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2vgg s SER 562 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2vgg n GLY 563 N -1.62 0.56 0.12 7.32 0.00 -1.26 -4.90 105.19 105.40 2vgg n GLY 563 Ca -0.02 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.45 2vgg n GLY 563 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vgg n TYR 564 N -2.88 0.00 -1.67 1.61 4.02 -1.26 -4.95 117.16 112.02 2vgg n TYR 564 Ca -0.02 -0.60 -0.47 0.00 -0.01 0.00 0.00 57.90 56.80 2vgg n TYR 564 Cb 0.10 -0.09 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 2vgg n TYR 564 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2vgg n THR 565 N -0.81 0.17 -1.83 -0.72 -1.04 -1.26 -3.27 114.28 105.53 2vgg n THR 565 Ca 0.08 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2vgg n THR 565 Cb 0.54 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.44 2vgg n THR 565 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2vgg n ASN 566 N 4.33 -0.28 -3.85 8.00 6.94 -0.25 -4.00 115.26 126.14 2vgg n ASN 566 Ca 0.19 -1.08 -0.12 0.00 -0.02 0.00 0.00 54.58 53.55 2vgg n ASN 566 Cb 0.28 0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 2vgg n ASN 566 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2vgg s ILE 567 N 0.00 -0.01 -0.10 1.53 1.01 -0.75 -4.95 121.20 117.93 2vgg s ILE 567 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.69 2vgg s ILE 567 Cb 0.00 -0.04 0.02 0.00 0.01 0.00 0.00 42.46 42.45 2vgg s ILE 567 CO 0.00 0.01 -0.12 -0.32 0.00 0.00 0.00 174.94 174.51 2vgg s MET 568 N 0.13 1.92 0.17 2.79 1.75 -1.26 -1.87 119.30 122.92 2vgg s MET 568 Ca -0.01 -0.44 0.11 0.00 -1.25 0.00 0.00 55.69 54.10 2vgg s MET 568 Cb -0.02 -1.71 -0.04 0.00 2.84 0.00 0.00 34.83 35.90 2vgg s MET 568 CO -0.00 -0.11 -0.25 1.03 -0.65 0.00 0.00 175.02 175.04 2vgg s ARG 569 N 1.15 1.46 -0.26 4.11 0.52 -0.10 -4.96 118.95 120.87 2vgg s ARG 569 Ca -0.04 -1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2vgg s ARG 569 Cb -0.14 -1.83 0.02 0.00 0.52 0.00 0.00 34.95 33.51 2vgg s ARG 569 CO -0.03 0.41 -0.02 0.08 0.02 0.00 0.00 175.30 175.76 2vgg s VAL 570 N -1.47 3.22 0.14 3.52 1.01 -1.26 -1.10 120.40 124.45 2vgg s VAL 570 Ca 0.18 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.34 2vgg s VAL 570 Cb -0.09 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2vgg s VAL 570 CO 0.08 0.16 -0.25 -0.76 0.00 0.00 0.00 175.10 174.34 2vgg s LEU 571 N 1.38 2.34 -0.00 3.92 1.43 -0.89 -4.99 118.68 121.87 2vgg s LEU 571 Ca 0.01 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2vgg s LEU 571 Cb -0.17 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2vgg s LEU 571 CO -0.02 0.13 0.18 -0.94 0.23 0.00 0.00 176.35 175.92 2vgg s SER 572 N -2.17 6.31 0.00 2.29 1.04 -1.26 -0.24 113.70 119.67 2vgg s SER 572 Ca 0.14 0.32 0.25 0.00 0.48 0.00 0.00 55.95 57.14 2vgg s SER 572 Cb -0.09 -1.96 0.48 0.00 0.10 0.00 0.00 66.02 64.55 2vgg s SER 572 CO 0.06 0.25 1.42 -0.38 0.98 0.00 0.00 173.24 175.58