#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3moy s THR 3 N 0.00 5.22 0.18 12.58 -4.23 -1.26 -5.04 115.64 123.10 3moy s THR 3 Ca 0.00 0.70 0.10 0.00 -1.18 0.00 0.00 61.69 61.32 3moy s THR 3 Cb 0.00 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 3moy s THR 3 CO 0.00 0.42 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.02 3moy s TYR 4 N 0.10 2.45 -0.05 3.99 2.02 -1.26 -5.05 117.35 119.55 3moy s TYR 4 Ca 0.21 -0.30 0.19 0.00 -0.37 0.00 0.00 57.07 56.80 3moy s TYR 4 Cb -0.14 -1.21 -0.29 0.00 -0.40 0.00 0.00 41.96 39.91 3moy s TYR 4 CO 0.08 0.50 0.43 0.25 -1.57 0.00 0.00 175.55 175.23 3moy n THR 5 N 0.21 0.00 -0.10 -0.71 -2.24 -1.26 -4.67 114.28 105.51 3moy n THR 5 Ca -0.12 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3moy n THR 5 Cb 0.56 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3moy n THR 5 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3moy n THR 6 N -2.13 0.00 -4.13 4.28 -2.24 -1.26 -4.95 114.28 103.85 3moy n THR 6 Ca -0.03 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 3moy n THR 6 Cb 0.49 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 3moy n THR 6 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3moy s ILE 7 N -0.38 0.38 -0.10 2.28 -4.36 -1.26 -0.29 121.20 117.46 3moy s ILE 7 Ca 0.00 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3moy s ILE 7 Cb 0.00 -1.65 0.01 0.00 1.25 0.00 0.00 42.46 42.07 3moy s ILE 7 CO 0.00 -0.88 -0.16 0.00 0.24 0.00 0.00 174.94 174.13 3moy s ALA 8 N -3.83 1.72 0.14 2.27 0.00 -0.17 -4.62 121.76 117.27 3moy s ALA 8 Ca 0.11 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.40 3moy s ALA 8 Cb 0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3moy s ALA 8 CO -0.07 0.01 -0.00 0.95 0.00 0.00 0.00 175.76 176.65 3moy s THR 9 N 0.84 3.83 0.28 0.00 -4.23 -1.26 -0.84 115.64 114.25 3moy s THR 9 Ca -0.10 -1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 58.97 3moy s THR 9 Cb -0.15 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.84 3moy s THR 9 CO 0.01 -0.00 0.75 -0.94 -0.54 0.00 0.00 174.62 173.89 3moy s SER 10 N -2.65 -0.23 -0.64 3.99 1.04 -0.69 -5.01 113.70 109.51 3moy s SER 10 Ca 0.26 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 56.11 3moy s SER 10 Cb -0.10 0.72 0.19 0.00 0.10 0.00 0.00 66.02 66.93 3moy s SER 10 CO 0.18 -1.34 0.53 0.54 0.98 0.00 0.00 173.24 174.14 3moy n ARG 11 N -0.47 1.72 0.14 4.02 1.74 -1.26 -0.76 116.66 121.79 3moy n ARG 11 Ca -0.04 -4.30 -0.01 0.00 -0.77 0.00 0.00 57.85 52.73 3moy n ARG 11 Cb 0.59 -2.15 0.23 0.00 -1.02 0.00 0.00 32.46 30.12 3moy n ARG 11 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3moy h PRO 12 N 5.08 0.05 -4.42 5.56 0.13 -1.97 -3.44 132.00 133.00 3moy h PRO 12 Ca 0.17 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 3moy h PRO 12 Cb 0.76 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.74 3moy h PRO 12 CO 0.69 0.55 -0.69 0.14 -0.23 0.00 0.00 178.00 178.46 3moy s VAL 13 N -3.89 0.44 0.19 1.56 -7.23 -1.26 -5.11 120.40 105.10 3moy s VAL 13 Ca -0.02 -1.78 -0.33 0.00 -1.81 0.00 0.00 61.98 58.03 3moy s VAL 13 Cb 0.13 -1.48 -0.13 0.00 0.56 0.00 0.00 36.38 35.46 3moy s VAL 13 CO 0.76 -0.89 1.55 0.00 -0.31 0.00 0.00 175.10 176.21 3moy n ALA 14 N 0.19 1.50 -0.72 1.32 0.00 -1.26 -2.31 120.51 119.22 3moy n ALA 14 Ca -0.14 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3moy n ALA 14 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3moy n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3moy n GLY 15 N 3.09 1.01 3.16 0.00 0.00 -1.25 -4.83 105.19 106.37 3moy n GLY 15 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3moy n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3moy s VAL 16 N -3.50 1.77 -0.18 1.61 1.01 -0.98 0.11 120.40 120.25 3moy s VAL 16 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3moy s VAL 16 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3moy s VAL 16 CO 0.00 0.50 0.07 -0.83 0.00 0.00 0.00 175.10 174.84 3moy s GLY 17 N 0.48 1.93 -0.15 4.51 0.00 -0.72 -4.00 107.32 109.37 3moy s GLY 17 Ca -0.17 -0.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 3moy s GLY 17 CO 0.07 0.01 -0.05 -2.27 0.00 0.00 0.00 173.10 170.86 3moy s LEU 18 N 0.23 3.17 -0.26 0.66 2.96 0.06 -0.72 118.68 124.78 3moy s LEU 18 Ca 0.04 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3moy s LEU 18 Cb -0.12 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.85 3moy s LEU 18 CO 0.00 0.18 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.54 3moy s ILE 19 N 0.31 2.94 -0.24 6.68 1.01 0.31 -1.70 121.20 130.51 3moy s ILE 19 Ca -0.05 -1.11 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 3moy s ILE 19 Cb -0.14 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 3moy s ILE 19 CO 0.03 0.11 0.02 -0.60 0.00 0.00 0.00 174.94 174.51 3moy s ARG 20 N 1.31 3.49 0.23 2.79 3.52 -0.02 -1.23 118.95 129.03 3moy s ARG 20 Ca -0.01 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 3moy s ARG 20 Cb -0.17 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 3moy s ARG 20 CO -0.03 -0.21 1.36 -0.51 -0.81 0.00 0.00 175.30 175.09 3moy s LEU 21 N 1.54 4.41 -0.38 -0.88 1.43 0.47 -1.00 118.68 124.28 3moy s LEU 21 Ca 0.06 2.51 0.12 0.00 -1.03 0.00 0.00 54.13 55.79 3moy s LEU 21 Cb -0.15 -3.62 0.34 0.00 0.03 0.00 0.00 46.19 42.80 3moy s LEU 21 CO 0.00 -0.59 0.74 -0.67 0.23 0.00 0.00 176.35 176.06 3moy n ASP 22 N 2.41 0.65 -3.28 2.29 2.03 0.60 -4.45 116.55 116.80 3moy n ASP 22 Ca 0.06 -3.03 -0.27 0.00 0.52 0.00 0.00 54.79 52.07 3moy n ASP 22 Cb 0.42 -0.50 -0.07 0.00 -0.72 0.00 0.00 41.12 40.25 3moy n ASP 22 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3moy n ARG 23 N 0.34 2.76 0.07 -0.67 1.74 -1.25 -4.56 116.66 115.10 3moy n ARG 23 Ca 0.24 -4.74 0.04 0.00 -0.77 0.00 0.00 57.85 52.62 3moy n ARG 23 Cb 0.66 -2.26 0.43 0.00 -1.02 0.00 0.00 32.46 30.27 3moy n ARG 23 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3moy h PRO 24 N 3.82 0.38 0.00 5.56 0.13 -1.95 -0.36 132.00 139.58 3moy h PRO 24 Ca 0.18 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3moy h PRO 24 Cb 0.61 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 3moy h PRO 24 CO 0.84 0.33 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.42 3moy h ASP 25 N 0.38 0.00 -0.49 1.44 3.32 -2.04 -2.37 116.42 116.67 3moy h ASP 25 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3moy h ASP 25 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3moy h ASP 25 CO -0.01 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 3moy n ALA 26 N -2.29 2.28 -3.95 3.45 0.00 -0.36 -4.96 120.51 114.67 3moy n ALA 26 Ca -0.02 -1.23 -0.32 0.00 0.00 0.00 0.00 53.44 51.87 3moy n ALA 26 Cb 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3moy n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3moy n LEU 27 N 0.91 -2.05 -1.77 0.00 4.77 -0.86 -1.57 117.00 116.43 3moy n LEU 27 Ca 0.17 -0.81 -0.17 0.00 -0.03 0.00 0.00 56.01 55.17 3moy n LEU 27 Cb 0.51 -2.31 -0.03 0.00 -2.33 0.00 0.00 43.42 39.27 3moy n LEU 27 CO 0.11 0.35 -0.20 0.59 -1.33 0.00 0.00 177.39 176.91 3moy n ASN 28 N -2.67 -5.03 -4.67 -1.43 3.02 -0.29 -1.31 115.26 102.88 3moy n ASN 28 Ca 0.05 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 3moy n ASN 28 Cb 0.51 -4.09 -0.01 0.00 -0.61 0.00 0.00 39.78 35.58 3moy n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3moy n ALA 29 N -0.97 0.95 -2.57 5.41 0.00 -0.61 -4.35 120.51 118.38 3moy n ALA 29 Ca -0.19 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 3moy n ALA 29 Cb 0.63 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 3moy n ALA 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3moy s LEU 30 N -0.70 3.54 0.00 0.00 1.43 -0.40 -4.61 118.68 117.93 3moy s LEU 30 Ca 0.56 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 3moy s LEU 30 Cb -0.60 -3.35 0.05 0.00 0.03 0.00 0.00 46.19 42.32 3moy s LEU 30 CO 0.62 -1.39 0.42 -0.46 0.23 0.00 0.00 176.35 175.77 3moy n ASN 31 N 8.26 2.19 -0.03 2.29 6.94 -1.26 -0.60 115.26 133.05 3moy n ASN 31 Ca 0.11 -2.43 -0.07 0.00 -0.02 0.00 0.00 54.58 52.16 3moy n ASN 31 Cb 0.49 -0.13 0.11 0.00 -2.36 0.00 0.00 39.78 37.89 3moy n ASN 31 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3moy h GLN 32 N 0.00 0.62 -0.32 -3.83 4.20 -1.97 -1.96 115.11 111.85 3moy h GLN 32 Ca -0.26 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 3moy h GLN 32 Cb 1.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3moy h GLN 32 CO 0.40 0.87 0.16 1.15 -0.67 0.00 0.00 178.83 180.74 3moy h THR 33 N 0.52 1.15 -0.50 -0.54 2.02 -1.99 -1.93 112.91 111.64 3moy h THR 33 Ca 0.06 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3moy h THR 33 Cb 0.83 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3moy h THR 33 CO 0.07 0.15 0.22 0.25 0.37 0.00 0.00 175.52 176.58 3moy h LEU 34 N 0.38 0.67 -0.33 2.58 6.46 -1.90 0.17 115.31 123.34 3moy h LEU 34 Ca 0.11 -0.15 0.07 0.00 -0.12 0.00 0.00 57.88 57.79 3moy h LEU 34 Cb 0.09 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 39.77 3moy h LEU 34 CO -0.02 0.63 -0.22 -0.08 -0.62 0.00 0.00 178.44 178.13 3moy h GLU 35 N 0.66 -0.18 -0.58 1.25 4.81 -1.23 0.12 114.58 119.44 3moy h GLU 35 Ca 0.17 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3moy h GLU 35 Cb 0.16 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3moy h GLU 35 CO -0.02 -0.12 0.03 0.00 -0.73 0.00 0.00 179.01 178.18 3moy h ALA 36 N 0.97 0.97 -0.28 2.92 0.00 -0.90 -1.78 119.26 121.17 3moy h ALA 36 Ca 0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3moy h ALA 36 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3moy h ALA 36 CO -0.44 0.63 -0.16 0.93 0.00 0.00 0.00 179.25 180.21 3moy h GLU 37 N 0.90 0.60 -0.50 0.00 5.08 -0.59 -0.65 114.58 119.42 3moy h GLU 37 Ca 0.17 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3moy h GLU 37 Cb 0.48 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3moy h GLU 37 CO 0.02 0.85 0.30 0.28 -1.00 0.00 0.00 179.01 179.46 3moy h VAL 38 N 0.34 1.15 -0.31 3.13 2.07 -0.71 -0.34 116.25 121.58 3moy h VAL 38 Ca 0.06 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3moy h VAL 38 Cb 0.69 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3moy h VAL 38 CO 0.05 0.16 0.19 0.25 0.02 0.00 0.00 177.57 178.23 3moy h LEU 39 N 0.66 0.31 -0.26 2.57 5.85 -1.25 -0.16 115.31 123.03 3moy h LEU 39 Ca 0.18 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3moy h LEU 39 Cb -0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3moy h LEU 39 CO -0.03 0.23 0.14 -0.78 -0.34 0.00 0.00 178.44 177.65 3moy h ASP 40 N 0.39 0.21 -0.72 1.25 3.58 -0.83 -0.49 116.42 119.80 3moy h ASP 40 Ca 0.12 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3moy h ASP 40 Cb -0.01 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 3moy h ASP 40 CO -0.05 0.16 0.37 0.00 -2.88 0.00 0.00 179.24 176.84 3moy h ALA 41 N 1.13 0.93 -0.49 -0.78 0.00 -0.79 -1.49 119.26 117.77 3moy h ALA 41 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3moy h ALA 41 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3moy h ALA 41 CO -0.07 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 3moy h ALA 42 N 1.18 0.68 -0.79 0.00 0.00 -0.76 -1.25 119.26 118.32 3moy h ALA 42 Ca 0.25 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3moy h ALA 42 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3moy h ALA 42 CO -0.04 0.64 0.38 0.00 0.00 0.00 0.00 179.25 180.24 3moy h ARG 43 N 0.84 1.14 -0.44 0.00 3.08 -0.90 0.43 114.38 118.54 3moy h ARG 43 Ca 0.12 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3moy h ARG 43 Cb 0.75 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3moy h ARG 43 CO 0.06 0.88 0.12 -0.44 -1.07 0.00 0.00 179.97 179.52 3moy h ASP 44 N 1.13 0.66 -0.44 7.04 3.32 -1.01 -1.59 116.42 125.54 3moy h ASP 44 Ca 0.27 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3moy h ASP 44 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3moy h ASP 44 CO -0.03 0.71 0.05 -0.26 -1.72 0.00 0.00 179.24 177.99 3moy h PHE 45 N 0.58 0.85 -0.27 4.55 0.04 -0.99 -2.02 116.94 119.70 3moy h PHE 45 Ca 0.14 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3moy h PHE 45 Cb 0.30 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3moy h PHE 45 CO 0.02 0.76 -0.05 0.22 -0.60 0.00 0.00 178.31 178.66 3moy h ASP 46 N 0.77 0.39 1.16 2.17 3.58 -0.62 -2.50 116.42 121.36 3moy h ASP 46 Ca 0.16 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3moy h ASP 46 Cb 0.39 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3moy h ASP 46 CO 0.01 0.49 -0.24 0.00 -2.88 0.00 0.00 179.24 176.62 3moy n ALA 47 N -2.48 2.58 -2.58 -0.78 0.00 -0.62 -4.79 120.51 111.84 3moy n ALA 47 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 3moy n ALA 47 Cb 0.25 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 3moy n ALA 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3moy s ASP 48 N -4.16 6.55 0.54 0.00 -1.08 -0.79 -4.93 116.67 112.80 3moy s ASP 48 Ca 0.10 0.27 0.23 0.00 -0.52 0.00 0.00 52.55 52.63 3moy s ASP 48 Cb 0.14 -2.45 1.41 0.00 -1.46 0.00 0.00 42.92 40.56 3moy s ASP 48 CO 0.64 -0.96 2.06 0.17 0.52 0.00 0.00 175.17 177.59 3moy h LEU 49 N 10.34 0.00 -0.03 -1.34 -0.00 -1.86 -1.43 115.31 120.98 3moy h LEU 49 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 3moy h LEU 49 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 3moy h LEU 49 CO 1.00 0.00 0.00 -0.62 -0.00 0.00 0.00 178.44 178.82 3moy n GLU 50 N -4.31 0.09 -3.76 0.17 -0.58 -1.26 -4.77 120.64 106.22 3moy n GLU 50 Ca 0.05 0.10 -0.36 0.00 -0.42 0.00 0.00 57.16 56.54 3moy n GLU 50 Cb 0.41 -1.61 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 3moy n GLU 50 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3moy s ILE 51 N -3.04 5.43 -0.18 -3.67 -1.09 -0.54 -3.90 121.20 114.20 3moy s ILE 51 Ca 0.12 0.21 0.09 0.00 -2.23 0.00 0.00 60.65 58.84 3moy s ILE 51 Cb 0.16 -3.46 -0.13 0.00 -1.58 0.00 0.00 42.46 37.46 3moy s ILE 51 CO 0.52 0.49 0.27 0.61 -1.23 0.00 0.00 174.94 175.60 3moy n GLY 52 N 3.10 -0.19 3.46 6.18 0.00 0.12 -4.90 105.19 112.96 3moy n GLY 52 Ca -0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 3moy n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3moy s ALA 53 N -2.32 -1.62 -0.01 4.61 0.00 -1.10 -4.32 121.76 116.99 3moy s ALA 53 Ca -0.01 0.94 0.08 0.00 0.00 0.00 0.00 51.96 52.98 3moy s ALA 53 Cb 0.06 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 3moy s ALA 53 CO 0.38 -0.50 -0.26 0.42 0.00 0.00 0.00 175.76 175.80 3moy s ILE 54 N -2.12 2.05 -0.10 0.00 1.01 -0.45 -1.75 121.20 119.84 3moy s ILE 54 Ca -0.07 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.48 3moy s ILE 54 Cb -0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3moy s ILE 54 CO 0.02 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.63 3moy s VAL 55 N -0.63 2.52 -0.15 2.92 1.01 0.10 -0.32 120.40 125.85 3moy s VAL 55 Ca 0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3moy s VAL 55 Cb -0.10 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3moy s VAL 55 CO -0.01 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3moy s VAL 56 N 0.20 3.33 0.15 2.92 1.01 -0.30 -0.53 120.40 127.17 3moy s VAL 56 Ca -0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3moy s VAL 56 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3moy s VAL 56 CO 0.06 0.50 0.17 0.28 0.00 0.00 0.00 175.10 176.12 3moy s THR 57 N 0.53 0.09 0.00 3.92 -1.32 -0.37 -0.64 115.64 117.85 3moy s THR 57 Ca -0.06 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 3moy s THR 57 Cb -0.15 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 3moy s THR 57 CO 0.03 -0.39 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 3moy n GLY 58 N -0.15 2.63 3.97 6.08 0.00 -1.26 -0.40 105.19 116.07 3moy n GLY 58 Ca -0.07 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 3moy n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3moy s SER 59 N 0.26 4.89 0.52 1.61 1.04 0.08 -4.68 113.70 117.42 3moy s SER 59 Ca 0.00 -1.02 0.18 0.00 0.48 0.00 0.00 55.95 55.59 3moy s SER 59 Cb 0.00 0.33 1.33 0.00 0.10 0.00 0.00 66.02 67.78 3moy s SER 59 CO 0.00 -1.22 2.15 -0.33 0.98 0.00 0.00 173.24 174.82 3moy h GLU 60 N 0.46 0.00 0.07 4.02 5.08 -2.00 -3.06 114.58 119.14 3moy h GLU 60 Ca -0.33 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.71 3moy h GLU 60 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3moy h GLU 60 CO 0.48 0.02 -1.75 -0.09 -1.00 0.00 0.00 179.01 176.68 3moy h ARG 61 N 0.00 0.15 -2.47 2.33 2.43 -1.95 -3.30 114.38 111.57 3moy h ARG 61 Ca -0.00 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.83 3moy h ARG 61 Cb 0.04 0.10 -0.26 0.00 -0.42 0.00 0.00 29.97 29.43 3moy h ARG 61 CO 0.00 0.90 -0.27 0.00 -1.51 0.00 0.00 179.97 179.09 3moy s ALA 62 N -2.59 -1.26 0.01 2.80 0.00 -1.16 -1.92 121.76 117.64 3moy s ALA 62 Ca -0.12 1.69 -0.25 0.00 0.00 0.00 0.00 51.96 53.29 3moy s ALA 62 Cb 0.07 -1.19 -0.14 0.00 0.00 0.00 0.00 23.12 21.86 3moy s ALA 62 CO 0.81 -0.50 1.08 0.35 0.00 0.00 0.00 175.76 177.50 3moy h PHE 63 N 7.54 -0.84 -1.43 0.00 3.57 -0.14 0.25 116.94 125.89 3moy h PHE 63 Ca -0.27 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.34 3moy h PHE 63 Cb 1.16 0.28 -0.22 0.00 2.79 0.00 0.00 35.95 39.96 3moy h PHE 63 CO 0.23 -0.52 0.04 0.00 -2.23 0.00 0.00 178.31 175.83 3moy s ALA 64 N -4.86 -2.42 -1.13 2.41 0.00 -0.54 -4.30 121.76 110.93 3moy s ALA 64 Ca -0.13 2.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.85 3moy s ALA 64 Cb 0.01 -1.95 0.20 0.00 0.00 0.00 0.00 23.12 21.38 3moy s ALA 64 CO 0.40 -0.98 1.27 0.00 0.00 0.00 0.00 175.76 176.45 3moy s ALA 65 N 2.68 4.14 0.00 0.00 0.00 -0.42 -1.81 121.76 126.35 3moy s ALA 65 Ca -0.03 -3.43 0.00 0.00 0.00 0.00 0.00 51.96 48.50 3moy s ALA 65 Cb -0.09 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.10 3moy s ALA 65 CO -0.18 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 173.38 3moy n GLY 66 N 3.87 -0.11 3.81 0.00 0.00 0.25 -4.45 105.19 108.55 3moy n GLY 66 Ca 0.30 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 3moy n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3moy s ALA 67 N -2.14 2.68 -0.31 4.61 0.00 -1.26 -1.28 121.76 124.06 3moy s ALA 67 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 3moy s ALA 67 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 3moy s ALA 67 CO 0.00 -1.06 1.58 0.34 0.00 0.00 0.00 175.76 176.61 3moy s ASP 68 N -3.29 6.27 0.14 0.00 -1.08 0.23 -4.61 116.67 114.32 3moy s ASP 68 Ca 0.61 1.28 0.02 0.00 -0.52 0.00 0.00 52.55 53.94 3moy s ASP 68 Cb -0.15 -2.53 -0.09 0.00 -1.46 0.00 0.00 42.92 38.68 3moy s ASP 68 CO 0.47 -1.41 1.32 0.40 0.52 0.00 0.00 175.17 176.46 3moy h ILE 69 N 6.39 1.54 -0.65 4.11 1.08 -1.94 -2.53 117.51 125.51 3moy h ILE 69 Ca -0.31 -2.87 0.06 0.00 -0.39 0.00 0.00 64.86 61.35 3moy h ILE 69 Cb 1.14 2.63 -0.04 0.00 -3.07 0.00 0.00 36.82 37.48 3moy h ILE 69 CO 1.03 0.83 0.43 0.00 -0.69 0.00 0.00 178.15 179.76 3moy h ALA 70 N 0.92 1.73 -0.01 1.87 0.00 -2.01 -0.10 119.26 121.66 3moy h ALA 70 Ca -0.05 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3moy h ALA 70 Cb 1.64 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3moy h ALA 70 CO 0.14 0.17 -0.88 1.49 0.00 0.00 0.00 179.25 180.17 3moy h GLU 71 N 0.69 0.33 0.00 0.00 4.81 -1.93 -3.33 114.58 115.15 3moy h GLU 71 Ca 0.28 -0.35 -0.19 0.00 -0.13 0.00 0.00 59.36 58.97 3moy h GLU 71 Cb 0.22 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3moy h GLU 71 CO -0.08 1.03 -0.92 0.52 -0.73 0.00 0.00 179.01 178.83 3moy h MET 72 N 0.19 0.00 -0.73 1.92 2.86 -0.95 -3.39 114.93 114.84 3moy h MET 72 Ca -0.06 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 3moy h MET 72 Cb 1.51 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.12 3moy h MET 72 CO 0.15 0.92 0.48 -0.24 1.06 0.00 0.00 176.91 179.27 3moy h VAL 73 N 0.00 0.91 -0.02 -2.22 3.04 -1.15 -1.22 116.25 115.59 3moy h VAL 73 Ca -0.01 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3moy h VAL 73 Cb 1.64 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3moy h VAL 73 CO 0.12 0.11 -0.07 0.35 -1.01 0.00 0.00 177.57 177.07 3moy n THR 74 N -4.49 0.00 -1.96 3.17 -2.24 -1.26 -4.96 114.28 102.54 3moy n THR 74 Ca 0.12 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 3moy n THR 74 Cb 0.37 0.72 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 3moy n THR 74 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3moy s LEU 75 N -2.11 3.99 0.29 3.22 1.43 -0.46 -5.05 118.68 119.99 3moy s LEU 75 Ca 0.33 2.64 0.10 0.00 -1.03 0.00 0.00 54.13 56.17 3moy s LEU 75 Cb 0.20 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.22 3moy s LEU 75 CO 0.37 -1.22 -0.05 0.42 0.23 0.00 0.00 176.35 176.11 3moy s THR 76 N -1.35 3.01 0.23 5.49 -4.23 -1.26 -5.01 115.64 112.52 3moy s THR 76 Ca 0.65 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 3moy s THR 76 Cb -0.37 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 70.98 3moy s THR 76 CO 0.45 -0.34 1.88 -0.65 -0.54 0.00 0.00 174.62 175.43 3moy h PRO 77 N 1.96 1.06 -0.39 3.99 0.11 -1.99 -0.98 132.00 135.76 3moy h PRO 77 Ca -0.43 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3moy h PRO 77 Cb 1.25 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3moy h PRO 77 CO 0.62 0.70 -0.28 1.12 -0.21 0.00 0.00 178.00 179.94 3moy h HIS 78 N 1.09 0.97 -0.49 0.65 2.07 -1.99 -1.74 115.15 115.70 3moy h HIS 78 Ca 0.33 -0.25 -0.11 0.00 -2.85 0.00 0.00 60.37 57.50 3moy h HIS 78 Cb -0.03 -0.22 -0.02 0.00 2.57 0.00 0.00 27.41 29.72 3moy h HIS 78 CO -0.02 1.02 -0.13 1.96 -3.07 0.00 0.00 177.93 177.68 3moy h GLN 79 N 0.71 0.93 -0.53 5.12 4.20 -1.92 0.14 115.11 123.77 3moy h GLN 79 Ca 0.08 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3moy h GLN 79 Cb 0.83 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3moy h GLN 79 CO 0.07 1.00 0.28 0.00 -0.67 0.00 0.00 178.83 179.51 3moy h ALA 80 N 1.01 0.68 -0.09 3.87 0.00 -1.07 -1.15 119.26 122.51 3moy h ALA 80 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3moy h ALA 80 Cb 0.68 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3moy h ALA 80 CO 0.05 0.22 -0.07 -0.09 0.00 0.00 0.00 179.25 179.35 3moy h ARG 81 N 0.71 0.21 -0.36 0.00 2.43 -1.15 -1.87 114.38 114.36 3moy h ARG 81 Ca 0.19 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3moy h ARG 81 Cb 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3moy h ARG 81 CO -0.03 0.62 0.24 0.93 -1.51 0.00 0.00 179.97 180.21 3moy h GLU 82 N -0.19 0.46 -0.13 0.20 5.08 -0.63 -1.66 114.58 117.71 3moy h GLU 82 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3moy h GLU 82 Cb 0.57 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3moy h GLU 82 CO 0.02 0.30 0.00 0.54 -1.00 0.00 0.00 179.01 178.87 3moy n ARG 83 N -4.48 1.72 -3.80 2.33 1.74 -0.44 -4.94 116.66 108.78 3moy n ARG 83 Ca 0.02 -1.07 -0.23 0.00 -0.77 0.00 0.00 57.85 55.80 3moy n ARG 83 Cb 0.07 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3moy n ARG 83 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3moy n ASN 84 N 0.29 -1.15 -4.70 0.55 3.02 -0.62 -4.81 115.26 107.83 3moy n ASN 84 Ca 0.17 -0.88 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 3moy n ASN 84 Cb 0.34 -3.71 -0.02 0.00 -0.61 0.00 0.00 39.78 35.78 3moy n ASN 84 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3moy n LEU 85 N -4.34 3.65 0.00 3.41 7.94 -0.73 -1.73 117.00 125.19 3moy n LEU 85 Ca -0.28 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 3moy n LEU 85 Cb 0.67 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.12 3moy n LEU 85 CO 0.71 -0.19 0.00 0.18 -1.11 0.00 0.00 177.39 176.98 3moy n LEU 86 N 2.32 0.00 0.23 -1.96 4.77 -1.26 -4.92 117.00 116.18 3moy n LEU 86 Ca 0.11 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 3moy n LEU 86 Cb 0.34 -0.24 0.54 0.00 -2.33 0.00 0.00 43.42 41.73 3moy n LEU 86 CO 0.63 0.00 0.85 0.28 -1.33 0.00 0.00 177.39 177.83 3moy h SER 87 N 0.00 0.00 -0.42 -1.43 0.02 -1.68 -2.34 113.55 107.70 3moy h SER 87 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3moy h SER 87 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3moy h SER 87 CO 0.00 0.23 0.00 1.23 -1.14 0.00 0.00 176.83 177.15 3moy h GLY 88 N 1.18 0.80 1.12 -3.77 0.00 -1.91 -1.21 103.07 99.29 3moy h GLY 88 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3moy h GLY 88 CO 0.03 0.54 0.31 1.49 0.00 0.00 0.00 176.54 178.91 3moy h TRP 89 N 0.58 1.14 -0.80 5.60 4.06 -1.75 -1.88 115.95 122.90 3moy h TRP 89 Ca 0.12 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 61.02 3moy h TRP 89 Cb 0.48 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 28.25 3moy h TRP 89 CO 0.04 0.86 0.51 -0.44 -3.56 0.00 0.00 178.44 175.84 3moy h ASP 90 N 1.10 0.85 0.10 -3.49 3.32 -1.27 -2.17 116.42 114.85 3moy h ASP 90 Ca 0.25 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3moy h ASP 90 Cb 0.20 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3moy h ASP 90 CO -0.02 0.59 -0.07 0.28 -1.72 0.00 0.00 179.24 178.29 3moy h SER 91 N 1.00 0.00 0.19 6.45 0.02 -0.51 -1.67 113.55 119.02 3moy h SER 91 Ca 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3moy h SER 91 Cb -0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3moy h SER 91 CO -0.11 0.07 -0.08 0.25 -1.14 0.00 0.00 176.83 175.82 3moy h LEU 92 N 0.00 0.00 -0.03 5.07 5.85 -0.68 -0.62 115.31 124.90 3moy h LEU 92 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3moy h LEU 92 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3moy h LEU 92 CO 0.01 0.08 0.00 0.35 -0.34 0.00 0.00 178.44 178.54 3moy n THR 93 N -3.88 0.81 1.20 1.05 -2.24 -0.63 -2.35 114.28 108.24 3moy n THR 93 Ca -0.02 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 3moy n THR 93 Cb 0.18 -0.91 0.32 0.00 -2.10 0.00 0.00 70.33 67.82 3moy n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3moy n GLN 94 N -1.54 0.83 -2.04 -0.78 1.13 -0.24 -4.89 117.38 109.85 3moy n GLN 94 Ca 0.04 -0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 54.16 3moy n GLN 94 Cb 0.21 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 3moy n GLN 94 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3moy s VAL 95 N -2.53 2.78 0.00 5.09 1.01 -0.99 -4.94 120.40 120.83 3moy s VAL 95 Ca 0.23 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 3moy s VAL 95 Cb 0.19 -3.40 -0.28 0.00 0.00 0.00 0.00 36.38 32.88 3moy s VAL 95 CO 0.54 0.09 0.86 0.03 0.00 0.00 0.00 175.10 176.62 3moy h ARG 96 N 5.47 0.28 -7.21 2.72 2.47 -1.91 -3.46 114.38 112.74 3moy h ARG 96 Ca -0.45 -0.47 -0.50 0.00 -1.26 0.00 0.00 59.98 57.30 3moy h ARG 96 Cb 1.21 0.18 0.07 0.00 -1.65 0.00 0.00 29.97 29.78 3moy h ARG 96 CO 0.80 1.15 0.38 0.15 0.56 0.00 0.00 179.97 183.01 3moy s LYS 97 N -2.62 3.18 0.45 0.04 1.02 -1.26 -4.61 119.74 115.95 3moy s LYS 97 Ca -0.09 1.23 -0.24 0.00 0.02 0.00 0.00 55.97 56.88 3moy s LYS 97 Cb 0.07 -2.01 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 3moy s LYS 97 CO 0.86 -0.93 1.24 -2.14 -0.92 0.00 0.00 175.35 173.46 3moy s PRO 98 N -4.15 3.73 -0.14 -1.68 0.02 -1.26 -4.87 135.00 126.64 3moy s PRO 98 Ca 0.64 1.98 0.02 0.00 0.02 0.00 0.00 61.00 63.66 3moy s PRO 98 Cb -0.17 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 31.86 3moy s PRO 98 CO 0.39 -0.64 -0.22 0.42 -0.33 0.00 0.00 177.00 176.63 3moy s ILE 99 N -1.40 2.08 -0.27 2.83 1.01 -1.26 -1.34 121.20 122.85 3moy s ILE 99 Ca 0.62 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 3moy s ILE 99 Cb -0.34 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 3moy s ILE 99 CO 0.42 0.55 0.06 -0.69 0.00 0.00 0.00 174.94 175.28 3moy s VAL 100 N 0.83 4.06 -0.09 2.92 1.01 0.56 -0.77 120.40 128.92 3moy s VAL 100 Ca -0.07 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 3moy s VAL 100 Cb -0.15 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3moy s VAL 100 CO -0.02 0.22 0.91 0.00 0.00 0.00 0.00 175.10 176.21 3moy s ALA 101 N 1.55 3.37 -0.39 5.51 0.00 -0.08 -1.15 121.76 130.57 3moy s ALA 101 Ca 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 3moy s ALA 101 Cb -0.16 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.75 3moy s ALA 101 CO 0.02 -0.46 0.18 0.00 0.00 0.00 0.00 175.76 175.51 3moy s ALA 102 N 1.65 3.14 -0.30 0.00 0.00 0.19 -0.46 121.76 125.98 3moy s ALA 102 Ca 0.45 -2.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.18 3moy s ALA 102 Cb -0.18 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.53 3moy s ALA 102 CO 0.19 -1.60 0.10 0.08 0.00 0.00 0.00 175.76 174.53 3moy s VAL 103 N 1.31 4.09 0.08 0.00 1.01 0.31 -4.13 120.40 123.06 3moy s VAL 103 Ca 0.03 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3moy s VAL 103 Cb -0.22 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3moy s VAL 103 CO -0.00 0.06 -0.12 0.00 0.00 0.00 0.00 175.10 175.04 3moy s ALA 104 N 1.52 2.85 0.00 5.51 0.00 -1.26 -0.64 121.76 129.74 3moy s ALA 104 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3moy s ALA 104 Cb -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3moy s ALA 104 CO 0.03 0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.82 3moy n GLY 105 N 1.04 2.49 3.69 0.00 0.00 -1.22 -1.61 105.19 109.57 3moy n GLY 105 Ca -0.15 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3moy n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3moy s TYR 106 N 0.00 3.07 -0.49 1.61 2.02 -0.81 -1.38 117.35 121.37 3moy s TYR 106 Ca 0.00 1.04 0.03 0.00 -0.37 0.00 0.00 57.07 57.78 3moy s TYR 106 Cb 0.00 -3.53 0.14 0.00 -0.40 0.00 0.00 41.96 38.17 3moy s TYR 106 CO 0.00 -1.82 0.30 0.00 -1.57 0.00 0.00 175.55 172.45 3moy s ALA 107 N 2.18 2.52 -0.01 3.71 0.00 0.42 -1.14 121.76 129.44 3moy s ALA 107 Ca 0.60 -2.89 0.07 0.00 0.00 0.00 0.00 51.96 49.74 3moy s ALA 107 Cb -0.28 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 3moy s ALA 107 CO 0.25 -2.05 -0.21 -0.51 0.00 0.00 0.00 175.76 173.23 3moy s LEU 108 N -0.08 2.35 0.00 0.00 1.43 -0.75 -2.32 118.68 119.32 3moy s LEU 108 Ca 0.20 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3moy s LEU 108 Cb -0.18 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3moy s LEU 108 CO -0.05 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3moy n GLY 109 N 2.15 3.26 0.38 -3.19 0.00 0.30 -0.58 105.19 107.50 3moy n GLY 109 Ca -0.16 -0.15 0.20 0.00 0.00 0.00 0.00 46.02 45.90 3moy n GLY 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3moy h GLY 110 N 0.00 0.00 1.17 -0.02 0.00 -1.90 -1.01 103.07 101.31 3moy h GLY 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3moy h GLY 110 CO 0.00 0.00 -0.20 -1.33 0.00 0.00 0.00 176.54 175.01 3moy h GLY 111 N 0.00 1.04 1.00 4.60 0.00 -1.12 0.13 103.07 108.71 3moy h GLY 111 Ca 0.22 -0.90 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 3moy h GLY 111 CO -0.00 0.82 0.05 0.00 0.00 0.00 0.00 176.54 177.40 3moy h GLU 113 N 0.72 1.20 -0.51 0.00 5.08 -1.04 -0.92 114.58 119.11 3moy h GLU 113 Ca 0.15 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3moy h GLU 113 Cb 0.45 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3moy h GLU 113 CO 0.02 0.89 0.33 1.25 -1.00 0.00 0.00 179.01 180.50 3moy h LEU 114 N 1.20 0.56 -0.71 1.33 5.85 -0.60 -0.74 115.31 122.20 3moy h LEU 114 Ca 0.30 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.02 3moy h LEU 114 Cb 0.06 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3moy h LEU 114 CO -0.04 0.41 0.47 0.00 -0.34 0.00 0.00 178.44 178.93 3moy h ALA 115 N 1.19 0.90 0.00 1.25 0.00 -0.87 -2.73 119.26 119.00 3moy h ALA 115 Ca 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3moy h ALA 115 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3moy h ALA 115 CO -0.05 0.31 -0.34 0.52 0.00 0.00 0.00 179.25 179.69 3moy h MET 116 N 0.95 0.00 0.00 0.00 2.86 -0.76 -2.71 114.93 115.27 3moy h MET 116 Ca 0.26 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 3moy h MET 116 Cb -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3moy h MET 116 CO -0.06 0.34 -0.07 1.37 1.06 0.00 0.00 176.91 179.55 3moy h LEU 117 N 0.00 0.00-10.31 1.22 8.10 -0.85 -3.45 115.31 110.02 3moy h LEU 117 Ca -0.00 0.00 -0.44 0.00 0.11 0.00 0.00 57.88 57.54 3moy h LEU 117 Cb 0.71 0.00 0.17 0.00 -0.44 0.00 0.00 40.66 41.10 3moy h LEU 117 CO 0.04 0.07 0.14 0.00 -4.11 0.00 0.00 178.44 174.58 3moy h ASP 119 N -2.16 0.04 -3.00 0.00 3.32 -1.23 -3.47 116.42 109.93 3moy h ASP 119 Ca -0.56 -0.67 -0.62 0.00 0.02 0.00 0.00 57.03 55.20 3moy h ASP 119 Cb 1.33 -0.01 -0.12 0.00 0.22 0.00 0.00 39.33 40.75 3moy h ASP 119 CO 0.55 1.39 -0.68 -0.76 -1.72 0.00 0.00 179.24 178.02 3moy s LEU 120 N -7.91 3.24 -0.15 1.55 1.02 -1.06 -5.03 118.68 110.33 3moy s LEU 120 Ca -0.26 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.49 3moy s LEU 120 Cb 0.04 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.36 3moy s LEU 120 CO 0.63 0.11 -0.12 -0.69 0.02 0.00 0.00 176.35 176.30 3moy s VAL 121 N -1.64 1.45 -0.24 -1.59 1.01 -1.26 -0.90 120.40 117.23 3moy s VAL 121 Ca 0.26 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 3moy s VAL 121 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3moy s VAL 121 CO 0.17 0.37 0.11 -0.63 0.00 0.00 0.00 175.10 175.13 3moy s ILE 122 N 1.52 4.76 -0.12 2.22 -1.09 0.40 -0.44 121.20 128.45 3moy s ILE 122 Ca 0.04 -0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.42 3moy s ILE 122 Cb -0.13 -3.22 -0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3moy s ILE 122 CO -0.10 0.34 -0.08 0.00 -1.23 0.00 0.00 174.94 173.87 3moy s ALA 123 N 1.38 2.86 0.69 9.38 0.00 -0.15 -0.53 121.76 135.39 3moy s ALA 123 Ca 0.06 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 3moy s ALA 123 Cb -0.15 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.65 3moy s ALA 123 CO 0.05 0.32 1.17 0.00 0.00 0.00 0.00 175.76 177.31 3moy s ALA 124 N 0.04 2.28 0.56 0.00 0.00 0.19 -1.41 121.76 123.41 3moy s ALA 124 Ca -0.02 0.76 0.42 0.00 0.00 0.00 0.00 51.96 53.12 3moy s ALA 124 Cb -0.14 -3.41 2.26 0.00 0.00 0.00 0.00 23.12 21.83 3moy s ALA 124 CO 0.03 -1.59 2.27 0.38 0.00 0.00 0.00 175.76 176.85 3moy h ASP 125 N -0.08 0.00 0.72 0.00 2.03 -1.33 -0.66 116.42 117.10 3moy h ASP 125 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3moy h ASP 125 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3moy h ASP 125 CO 0.52 0.00 -0.13 0.35 -1.03 0.00 0.00 179.24 178.95 3moy n THR 126 N -2.97 0.00 -1.98 1.15 -2.24 -1.26 -4.39 114.28 102.60 3moy n THR 126 Ca -0.03 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.34 3moy n THR 126 Cb 0.07 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.04 3moy n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3moy s ALA 127 N -2.85 3.41 -0.07 6.98 0.00 -0.26 -3.46 121.76 125.52 3moy s ALA 127 Ca 0.18 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3moy s ALA 127 Cb 0.19 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3moy s ALA 127 CO 0.55 -0.87 -0.07 1.03 0.00 0.00 0.00 175.76 176.39 3moy s ARG 128 N -2.09 1.29 -0.15 0.00 1.81 -0.48 -1.40 118.95 117.93 3moy s ARG 128 Ca 0.54 -0.23 -0.00 0.00 -1.72 0.00 0.00 55.73 54.32 3moy s ARG 128 Cb -0.41 -1.25 -0.01 0.00 -0.45 0.00 0.00 34.95 32.83 3moy s ARG 128 CO 0.55 -0.12 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.86 3moy s PHE 129 N 1.15 2.81 0.20 -0.53 0.08 -0.44 -0.44 117.98 120.81 3moy s PHE 129 Ca -0.06 -0.88 -0.16 0.00 0.12 0.00 0.00 56.93 55.95 3moy s PHE 129 Cb -0.14 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 3moy s PHE 129 CO -0.01 -0.38 0.49 0.20 -0.10 0.00 0.00 175.22 175.42 3moy s GLY 130 N 0.70 0.09 -0.56 4.36 0.00 -0.98 0.12 107.32 111.05 3moy s GLY 130 Ca -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.28 3moy s GLY 130 CO 0.02 -0.39 0.49 -1.06 0.00 0.00 0.00 173.10 172.16 3moy n GLN 131 N -0.34 1.26 -0.38 2.90 1.13 -1.26 -0.54 117.38 120.16 3moy n GLN 131 Ca -0.08 -3.92 0.02 0.00 -1.94 0.00 0.00 57.00 51.08 3moy n GLN 131 Cb 0.62 -1.93 0.16 0.00 0.11 0.00 0.00 30.24 29.20 3moy n GLN 131 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3moy n PRO 132 N 1.97 2.51 -0.34 -1.09 -0.04 -1.26 -4.34 135.00 132.40 3moy n PRO 132 Ca 0.25 -1.28 0.19 0.00 -0.04 0.00 0.00 63.50 62.62 3moy n PRO 132 Cb 0.43 -1.79 0.40 0.00 -0.04 0.00 0.00 33.50 32.51 3moy n PRO 132 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3moy h GLU 133 N 1.53 0.53 0.00 0.54 3.07 -1.89 -0.04 114.58 118.32 3moy h GLU 133 Ca 0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3moy h GLU 133 Cb 1.16 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3moy h GLU 133 CO 0.22 0.35 -0.03 0.97 -1.40 0.00 0.00 179.01 179.12 3moy h ILE 134 N 0.55 0.98 0.00 3.13 2.10 -1.74 -0.15 117.51 122.38 3moy h ILE 134 Ca 0.65 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 66.47 3moy h ILE 134 Cb 1.29 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3moy h ILE 134 CO -0.46 0.03 0.00 0.71 -1.08 0.00 0.00 178.15 177.35 3moy h THR 135 N 0.00 0.00 -0.35 2.19 1.35 -1.28 -1.29 112.91 113.52 3moy h THR 135 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3moy h THR 135 Cb 0.06 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3moy h THR 135 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3moy n LEU 136 N -2.65 3.37 0.00 3.87 4.77 -0.10 -4.97 117.00 121.29 3moy n LEU 136 Ca 0.01 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 3moy n LEU 136 Cb 0.25 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3moy n LEU 136 CO 0.23 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3moy n GLY 137 N 1.42 0.40 0.28 -0.72 0.00 -0.49 -5.04 105.19 101.04 3moy n GLY 137 Ca 0.18 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 3moy n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3moy n ILE 138 N -2.99 0.00 -4.38 -0.61 -5.35 -1.03 -5.02 119.36 99.98 3moy n ILE 138 Ca 0.00 -0.19 -0.19 0.00 -0.27 0.00 0.00 62.75 62.10 3moy n ILE 138 Cb 0.00 0.06 -0.10 0.00 -1.74 0.00 0.00 39.64 37.86 3moy n ILE 138 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 3moy s LEU 139 N 0.00 2.12 0.43 7.28 2.34 -1.26 -3.02 118.68 126.57 3moy s LEU 139 Ca 0.01 -1.30 -0.26 0.00 0.06 0.00 0.00 54.13 52.64 3moy s LEU 139 Cb 0.00 -0.29 -0.09 0.00 -0.56 0.00 0.00 46.19 45.25 3moy s LEU 139 CO 0.01 -0.57 1.45 -2.84 -1.06 0.00 0.00 176.35 173.34 3moy s PRO 140 N -3.89 3.81 0.00 1.48 0.02 -1.26 -4.93 135.00 130.23 3moy s PRO 140 Ca 0.33 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3moy s PRO 140 Cb 0.07 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3moy s PRO 140 CO 0.12 -0.74 0.62 0.41 -0.33 0.00 0.00 177.00 177.09 3moy n GLY 141 N 0.54 -0.09 1.53 0.52 0.00 -1.26 -4.70 105.19 101.73 3moy n GLY 141 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3moy n GLY 141 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3moy n LEU 142 N -0.15 3.06 0.00 0.99 7.94 -1.26 -4.94 117.00 122.64 3moy n LEU 142 Ca 0.00 -3.79 0.00 0.00 -1.11 0.00 0.00 56.01 51.11 3moy n LEU 142 Cb 0.10 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.80 3moy n LEU 142 CO 0.00 1.46 0.00 0.61 -1.11 0.00 0.00 177.39 178.35 3moy n GLY 143 N -0.67 0.68 0.29 -3.96 0.00 -1.26 -4.79 105.19 95.48 3moy n GLY 143 Ca 0.24 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.46 3moy n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3moy h GLY 144 N 0.00 0.00 -0.03 -0.02 0.00 -1.92 0.30 103.07 101.40 3moy h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3moy h GLY 144 CO 0.00 0.00 -0.85 -1.30 0.00 0.00 0.00 176.54 174.39 3moy n THR 145 N -2.90 0.00 -0.03 4.70 -2.24 -1.26 -4.31 114.28 108.24 3moy n THR 145 Ca -0.02 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 3moy n THR 145 Cb 0.10 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 3moy n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3moy n GLN 146 N -1.39 0.27 0.02 -0.78 1.13 -0.47 -4.28 117.38 111.89 3moy n GLN 146 Ca 0.04 0.11 -0.11 0.00 -1.94 0.00 0.00 57.00 55.10 3moy n GLN 146 Cb 0.29 -0.96 0.03 0.00 0.11 0.00 0.00 30.24 29.70 3moy n GLN 146 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3moy h ARG 147 N -0.49 0.52 -0.14 -1.09 3.08 -0.77 -2.75 114.38 112.73 3moy h ARG 147 Ca -0.09 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 3moy h ARG 147 Cb 0.71 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3moy h ARG 147 CO -0.06 1.00 0.04 1.25 -1.07 0.00 0.00 179.97 181.14 3moy h LEU 148 N 0.37 0.21 -0.78 3.04 5.85 -1.68 -1.50 115.31 120.83 3moy h LEU 148 Ca -0.02 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3moy h LEU 148 Cb 1.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3moy h LEU 148 CO 0.12 0.36 0.51 0.74 -0.34 0.00 0.00 178.44 179.83 3moy h THR 149 N 0.05 1.17 -0.22 1.05 2.02 -1.74 0.02 112.91 115.26 3moy h THR 149 Ca 0.05 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3moy h THR 149 Cb 0.23 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3moy h THR 149 CO -0.00 0.19 -0.02 0.03 0.37 0.00 0.00 175.52 176.09 3moy h ARG 150 N 1.02 0.33 0.01 6.66 3.08 -1.28 -0.90 114.38 123.30 3moy h ARG 150 Ca 0.29 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3moy h ARG 150 Cb -0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3moy h ARG 150 CO -0.08 0.37 -0.28 0.00 -1.07 0.00 0.00 179.97 178.91 3moy h ALA 151 N 1.67 0.04 0.00 0.04 0.00 -0.42 -3.41 119.26 117.18 3moy h ALA 151 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3moy h ALA 151 Cb 0.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3moy h ALA 151 CO 0.01 0.15 -0.74 1.33 0.00 0.00 0.00 179.25 180.00 3moy n VAL 152 N -4.54 0.00 0.00 0.00 0.24 -0.09 -4.48 118.33 109.47 3moy n VAL 152 Ca -0.14 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3moy n VAL 152 Cb 0.54 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 3moy n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3moy n GLY 153 N 1.36 1.45 0.16 7.63 0.00 -0.35 -4.57 105.19 110.88 3moy n GLY 153 Ca 0.02 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 3moy n GLY 153 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3moy h LYS 154 N 0.00 0.48 -0.64 1.61 3.64 -1.94 -1.81 116.57 117.91 3moy h LYS 154 Ca 0.00 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3moy h LYS 154 Cb 0.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3moy h LYS 154 CO 0.00 0.46 0.39 0.00 -2.27 0.00 0.00 179.45 178.03 3moy h ALA 155 N 0.99 0.82 -0.16 5.00 0.00 -1.97 0.15 119.26 124.09 3moy h ALA 155 Ca 0.11 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 3moy h ALA 155 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3moy h ALA 155 CO -0.01 0.29 -0.68 0.87 0.00 0.00 0.00 179.25 179.72 3moy h LYS 156 N 0.87 0.63 -0.43 0.00 1.79 -1.80 -2.24 116.57 115.40 3moy h LYS 156 Ca 0.23 -0.47 -0.06 0.00 -2.18 0.00 0.00 60.65 58.17 3moy h LYS 156 Cb -0.03 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3moy h LYS 156 CO -0.04 1.09 0.01 0.00 -1.08 0.00 0.00 179.45 179.43 3moy h ALA 157 N 0.79 0.57 -0.78 3.86 0.00 -0.95 -0.96 119.26 121.80 3moy h ALA 157 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3moy h ALA 157 Cb 1.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3moy h ALA 157 CO 0.13 0.35 0.51 0.52 0.00 0.00 0.00 179.25 180.76 3moy h MET 158 N 0.59 1.01 0.21 0.00 2.86 -0.76 -0.59 114.93 118.25 3moy h MET 158 Ca 0.12 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3moy h MET 158 Cb 0.47 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3moy h MET 158 CO 0.02 0.67 -0.10 0.22 1.06 0.00 0.00 176.91 178.78 3moy h ASP 159 N 1.04 -0.24 -0.25 1.22 1.82 -1.12 -0.02 116.42 118.87 3moy h ASP 159 Ca 0.29 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.90 3moy h ASP 159 Cb -0.09 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 3moy h ASP 159 CO -0.07 -0.10 0.13 -0.07 -1.61 0.00 0.00 179.24 177.52 3moy h LEU 160 N -0.36 0.20 0.00 2.28 4.07 -1.05 -0.31 115.31 120.15 3moy h LEU 160 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3moy h LEU 160 Cb 0.27 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3moy h LEU 160 CO 0.05 0.15 -0.24 0.00 -1.08 0.00 0.00 178.44 177.31 3moy n LEU 162 N -2.38 0.11 -0.01 0.00 4.77 -0.03 -4.42 117.00 115.04 3moy n LEU 162 Ca 0.04 0.05 0.07 0.00 -0.03 0.00 0.00 56.01 56.14 3moy n LEU 162 Cb 0.46 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.72 3moy n LEU 162 CO 0.33 0.29 -0.51 0.35 -1.33 0.00 0.00 177.39 176.53 3moy n THR 163 N -2.61 0.00 -0.98 -5.08 -2.24 -0.14 -4.99 114.28 98.25 3moy n THR 163 Ca -0.21 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3moy n THR 163 Cb 0.93 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3moy n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3moy n GLY 164 N 1.56 0.57 3.78 3.38 0.00 -0.47 -5.03 105.19 108.99 3moy n GLY 164 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3moy n GLY 164 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3moy s ARG 165 N -0.22 2.70 0.15 1.61 1.70 -1.25 -4.66 118.95 118.97 3moy s ARG 165 Ca 0.00 1.24 0.03 0.00 -0.47 0.00 0.00 55.73 56.53 3moy s ARG 165 Cb 0.00 -1.95 -0.04 0.00 -0.57 0.00 0.00 34.95 32.40 3moy s ARG 165 CO 0.00 -1.31 0.27 -1.12 -1.08 0.00 0.00 175.30 172.06 3moy s SER 166 N -3.01 6.27 0.02 -2.89 0.01 -1.26 -4.44 113.70 108.39 3moy s SER 166 Ca 0.64 0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.90 3moy s SER 166 Cb -0.18 -1.87 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 3moy s SER 166 CO 0.47 0.06 0.41 -0.76 0.41 0.00 0.00 173.24 173.83 3moy s LEU 167 N -3.21 4.45 0.83 2.44 1.43 0.12 -4.90 118.68 119.83 3moy s LEU 167 Ca 0.34 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.28 3moy s LEU 167 Cb -0.11 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.52 3moy s LEU 167 CO 0.28 0.29 1.09 0.42 0.23 0.00 0.00 176.35 178.66 3moy s THR 168 N -1.14 3.03 0.27 5.49 -4.23 -1.26 -1.33 115.64 116.47 3moy s THR 168 Ca 0.26 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 3moy s THR 168 Cb -0.16 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.05 3moy s THR 168 CO 0.14 -0.44 1.79 0.00 -0.54 0.00 0.00 174.62 175.57 3moy h ALA 169 N -1.28 1.38 -0.39 3.99 0.00 -1.44 0.01 119.26 121.53 3moy h ALA 169 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3moy h ALA 169 Cb 1.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3moy h ALA 169 CO 0.54 0.00 0.25 1.49 0.00 0.00 0.00 179.25 181.54 3moy h GLU 170 N 0.74 0.52 -0.51 0.00 4.81 -1.88 0.14 114.58 118.41 3moy h GLU 170 Ca 0.48 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 3moy h GLU 170 Cb 0.63 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3moy h GLU 170 CO -0.33 0.37 -0.16 1.49 -0.73 0.00 0.00 179.01 179.65 3moy h GLU 171 N 0.52 1.01 -0.89 1.92 4.81 -1.77 -2.03 114.58 118.15 3moy h GLU 171 Ca 0.14 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3moy h GLU 171 Cb -0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3moy h GLU 171 CO -0.03 1.08 0.55 0.00 -0.73 0.00 0.00 179.01 179.89 3moy h ALA 172 N 0.89 1.13 -0.40 2.92 0.00 -0.61 -2.41 119.26 120.77 3moy h ALA 172 Ca 0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3moy h ALA 172 Cb 0.73 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3moy h ALA 172 CO 0.06 0.57 -0.27 1.49 0.00 0.00 0.00 179.25 181.10 3moy h GLU 173 N 1.21 0.84 -0.17 0.00 4.22 -0.83 0.12 114.58 119.97 3moy h GLU 173 Ca 0.32 -0.37 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 3moy h GLU 173 Cb -0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3moy h GLU 173 CO -0.06 1.01 0.02 -0.09 -2.18 0.00 0.00 179.01 177.70 3moy h ARG 174 N 0.72 0.24 -0.34 1.92 2.43 -0.89 -2.90 114.38 115.55 3moy h ARG 174 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3moy h ARG 174 Cb 0.81 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3moy h ARG 174 CO 0.07 0.25 0.00 1.33 -1.51 0.00 0.00 179.97 180.11 3moy n VAL 175 N -4.41 0.78 -0.03 0.20 0.24 -1.00 -4.98 118.33 109.12 3moy n VAL 175 Ca -0.00 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 3moy n VAL 175 Cb 0.15 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3moy n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3moy n GLY 176 N 0.78 0.97 0.10 7.63 0.00 -0.96 -4.03 105.19 109.68 3moy n GLY 176 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3moy n GLY 176 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3moy h LEU 177 N 0.00 0.00 -8.77 0.99 5.85 -1.23 -3.45 115.31 108.70 3moy h LEU 177 Ca 0.00 0.00 -0.43 0.00 0.84 0.00 0.00 57.88 58.29 3moy h LEU 177 Cb 0.00 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 40.87 3moy h LEU 177 CO 0.00 0.80 -0.75 0.68 -0.34 0.00 0.00 178.44 178.84 3moy s VAL 178 N -3.11 1.56 -0.05 1.05 -7.23 -1.23 -4.82 120.40 106.58 3moy s VAL 178 Ca 0.00 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 3moy s VAL 178 Cb 0.11 -1.85 -0.28 0.00 0.56 0.00 0.00 36.38 34.92 3moy s VAL 178 CO 0.79 -0.52 0.95 0.28 -0.31 0.00 0.00 175.10 176.28 3moy h SER 179 N 2.96 0.37 -5.02 4.85 0.02 -1.09 -3.43 113.55 112.20 3moy h SER 179 Ca -0.39 -0.89 -0.10 0.00 -0.84 0.00 0.00 61.79 59.57 3moy h SER 179 Cb 1.21 -0.12 -0.18 0.00 0.14 0.00 0.00 62.40 63.45 3moy h SER 179 CO 0.57 1.23 -0.21 -0.13 -1.14 0.00 0.00 176.83 177.15 3moy s ARG 180 N -2.69 0.79 -0.03 3.45 0.52 -1.13 -5.04 118.95 114.81 3moy s ARG 180 Ca -0.15 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.80 3moy s ARG 180 Cb 0.01 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 3moy s ARG 180 CO 0.79 -0.24 -0.22 0.42 0.02 0.00 0.00 175.30 176.07 3moy s ILE 181 N -2.00 2.39 0.08 1.52 1.01 -1.26 -0.98 121.20 121.96 3moy s ILE 181 Ca -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 3moy s ILE 181 Cb -0.02 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3moy s ILE 181 CO 0.00 0.58 -0.02 0.68 0.00 0.00 0.00 174.94 176.19 3moy s VAL 182 N -0.59 0.33 0.54 2.92 -7.23 -0.50 -4.97 120.40 110.91 3moy s VAL 182 Ca 0.09 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.18 3moy s VAL 182 Cb -0.11 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 3moy s VAL 182 CO 0.00 -0.84 1.30 -2.65 -0.31 0.00 0.00 175.10 172.60 3moy n PRO 183 N 0.02 1.60 -0.35 4.82 -0.02 -1.26 -0.96 135.00 138.84 3moy n PRO 183 Ca -0.12 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 3moy n PRO 183 Cb 0.62 -2.50 0.32 0.00 -0.02 0.00 0.00 33.50 31.92 3moy n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3moy h ALA 184 N 1.35 1.66 0.00 3.55 0.00 -1.93 -0.13 119.26 123.76 3moy h ALA 184 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3moy h ALA 184 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3moy h ALA 184 CO 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3moy h ALA 185 N 1.65 1.00 -0.15 0.00 0.00 -2.03 -2.77 119.26 116.95 3moy h ALA 185 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3moy h ALA 185 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3moy h ALA 185 CO -0.39 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.61 3moy n ASP 186 N -2.91 2.92 0.19 0.00 8.00 -0.08 -4.73 116.55 119.93 3moy n ASP 186 Ca -0.00 -1.89 -0.15 0.00 0.71 0.00 0.00 54.79 53.46 3moy n ASP 186 Cb 0.21 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 3moy n ASP 186 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3moy h LEU 187 N 3.97 -0.36 -0.60 0.64 5.85 -1.30 -0.46 115.31 123.05 3moy h LEU 187 Ca 0.00 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 3moy h LEU 187 Cb 0.87 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3moy h LEU 187 CO 0.00 -0.18 -0.01 0.25 -0.34 0.00 0.00 178.44 178.16 3moy h LEU 188 N -0.52 1.05 -0.56 2.25 5.85 -1.85 -0.63 115.31 120.90 3moy h LEU 188 Ca -0.04 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.41 3moy h LEU 188 Cb 0.39 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3moy h LEU 188 CO 0.07 1.10 0.31 0.44 -0.34 0.00 0.00 178.44 180.03 3moy h ASP 189 N 0.97 0.48 -0.29 1.25 3.32 -1.85 0.42 116.42 120.72 3moy h ASP 189 Ca 0.17 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3moy h ASP 189 Cb 0.57 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3moy h ASP 189 CO 0.03 0.33 0.11 -0.08 -1.72 0.00 0.00 179.24 177.91 3moy h GLU 190 N 0.61 0.43 -0.66 3.56 4.57 -0.70 -0.98 114.58 121.40 3moy h GLU 190 Ca 0.24 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3moy h GLU 190 Cb 0.09 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3moy h GLU 190 CO -0.14 0.46 0.12 0.00 -1.18 0.00 0.00 179.01 178.27 3moy h ALA 191 N 0.96 0.88 -0.35 2.92 0.00 -0.88 0.26 119.26 123.04 3moy h ALA 191 Ca 0.10 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3moy h ALA 191 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3moy h ALA 191 CO -0.01 0.63 -0.29 -0.07 0.00 0.00 0.00 179.25 179.52 3moy h LEU 192 N 1.01 0.76 -0.42 0.00 3.38 -0.86 -0.25 115.31 118.94 3moy h LEU 192 Ca 0.20 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3moy h LEU 192 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3moy h LEU 192 CO 0.01 1.00 -0.01 0.00 0.09 0.00 0.00 178.44 179.54 3moy h ALA 193 N 1.05 0.57 -0.28 1.53 0.00 -0.91 0.04 119.26 121.25 3moy h ALA 193 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3moy h ALA 193 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3moy h ALA 193 CO 0.07 0.36 0.14 0.28 0.00 0.00 0.00 179.25 180.09 3moy h VAL 194 N 0.58 1.15 -0.83 0.00 2.07 -0.83 -1.34 116.25 117.05 3moy h VAL 194 Ca 0.12 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3moy h VAL 194 Cb 0.50 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3moy h VAL 194 CO 0.02 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.13 3moy h ALA 195 N 1.00 1.07 -0.28 1.67 0.00 -0.98 -1.37 119.26 120.36 3moy h ALA 195 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3moy h ALA 195 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3moy h ALA 195 CO -0.01 0.66 -0.27 0.37 0.00 0.00 0.00 179.25 179.99 3moy h GLN 196 N 1.18 0.56 -0.35 0.00 4.15 -0.80 -0.35 115.11 119.50 3moy h GLN 196 Ca 0.28 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 3moy h GLN 196 Cb 0.16 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3moy h GLN 196 CO -0.03 0.78 0.21 -0.09 -1.93 0.00 0.00 178.83 177.77 3moy h ARG 197 N 0.49 0.49 -0.87 1.69 9.65 -0.84 -1.06 114.38 123.92 3moy h ARG 197 Ca 0.07 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3moy h ARG 197 Cb 0.72 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.16 3moy h ARG 197 CO 0.06 0.38 0.51 0.82 2.80 0.00 0.00 179.97 184.53 3moy h ILE 198 N 0.46 1.25 0.00 1.20 2.04 -0.96 -2.11 117.51 119.38 3moy h ILE 198 Ca 0.13 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3moy h ILE 198 Cb 0.02 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3moy h ILE 198 CO -0.02 0.26 -0.03 0.00 0.00 0.00 0.00 178.15 178.36 3moy h ALA 199 N 1.28 1.03 0.00 1.87 0.00 -0.50 -1.48 119.26 121.46 3moy h ALA 199 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3moy h ALA 199 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3moy h ALA 199 CO -0.06 0.04 -0.24 0.54 0.00 0.00 0.00 179.25 179.53 3moy n ARG 200 N -3.16 0.01 -2.01 0.00 1.74 -0.45 -4.74 116.66 108.04 3moy n ARG 200 Ca -0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3moy n ARG 200 Cb 0.26 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3moy n ARG 200 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3moy s MET 201 N -3.00 2.83 0.07 5.56 -1.94 -0.56 -4.90 119.30 117.36 3moy s MET 201 Ca 0.12 0.33 -0.36 0.00 -1.71 0.00 0.00 55.69 54.07 3moy s MET 201 Cb 0.18 -2.08 -0.15 0.00 2.01 0.00 0.00 34.83 34.79 3moy s MET 201 CO 0.61 -0.98 1.48 0.45 -0.01 0.00 0.00 175.02 176.57 3moy n SER 202 N -2.92 2.30 0.17 3.03 2.88 -1.26 -4.92 113.62 112.90 3moy n SER 202 Ca 0.06 1.10 -0.14 0.00 -1.33 0.00 0.00 58.87 58.56 3moy n SER 202 Cb 0.57 -1.28 -0.08 0.00 -0.75 0.00 0.00 64.21 62.68 3moy n SER 202 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3moy h ARG 203 N 5.48 -0.39 -0.22 -1.46 2.47 -1.89 -0.79 114.38 117.58 3moy h ARG 203 Ca -0.47 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.22 3moy h ARG 203 Cb 1.30 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.70 3moy h ARG 203 CO 0.84 -0.15 -0.12 -1.00 0.56 0.00 0.00 179.97 180.10 3moy h PRO 204 N -0.59 0.36 -0.57 0.04 0.13 -1.83 -1.58 132.00 127.96 3moy h PRO 204 Ca -0.04 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 3moy h PRO 204 Cb 0.43 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 3moy h PRO 204 CO 0.07 0.49 -0.06 0.00 -0.23 0.00 0.00 178.00 178.27 3moy h ALA 205 N 1.54 0.81 -0.57 -0.56 0.00 -1.94 -0.84 119.26 117.70 3moy h ALA 205 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3moy h ALA 205 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3moy h ALA 205 CO 0.02 0.67 0.32 0.78 0.00 0.00 0.00 179.25 181.05 3moy h GLY 206 N 0.96 0.84 1.01 0.00 0.00 -0.77 0.08 103.07 105.20 3moy h GLY 206 Ca 0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3moy h GLY 206 CO 0.04 0.35 0.22 3.21 0.00 0.00 0.00 176.54 180.36 3moy h ARG 207 N 0.76 0.96 -0.44 4.80 3.08 -1.12 -1.97 114.38 120.45 3moy h ARG 207 Ca 0.20 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3moy h ARG 207 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3moy h ARG 207 CO -0.03 0.84 0.08 0.00 -1.07 0.00 0.00 179.97 179.79 3moy h ALA 208 N 1.08 0.59 0.13 0.04 0.00 -0.74 -0.45 119.26 119.91 3moy h ALA 208 Ca 0.21 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3moy h ALA 208 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3moy h ALA 208 CO -0.01 0.30 -0.18 0.28 0.00 0.00 0.00 179.25 179.64 3moy h VAL 209 N 0.59 0.60 -0.50 0.00 2.07 -0.91 -0.25 116.25 117.86 3moy h VAL 209 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 3moy h VAL 209 Cb 0.36 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3moy h VAL 209 CO 0.01 0.00 0.30 0.50 0.02 0.00 0.00 177.57 178.39 3moy h LYS 210 N -0.36 0.57 -0.69 1.57 3.64 -1.23 -0.80 116.57 119.28 3moy h LYS 210 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3moy h LYS 210 Cb 0.36 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3moy h LYS 210 CO -0.08 0.38 0.37 0.22 -2.27 0.00 0.00 179.45 178.07 3moy h ASP 211 N 0.59 0.87 -0.30 4.20 1.82 -0.95 -0.83 116.42 121.83 3moy h ASP 211 Ca 0.20 -0.10 -0.16 0.00 -0.39 0.00 0.00 57.03 56.57 3moy h ASP 211 Cb 0.02 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.81 3moy h ASP 211 CO -0.09 0.72 -0.45 0.00 -1.61 0.00 0.00 179.24 177.81 3moy h ALA 212 N 1.18 0.45 -0.48 -0.78 0.00 -0.58 -0.54 119.26 118.52 3moy h ALA 212 Ca 0.24 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3moy h ALA 212 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3moy h ALA 212 CO -0.04 0.60 0.13 0.82 0.00 0.00 0.00 179.25 180.76 3moy h ILE 213 N 0.60 1.23 -1.00 0.00 2.04 -1.07 -2.02 117.51 117.29 3moy h ILE 213 Ca 0.03 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.16 3moy h ILE 213 Cb 1.05 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 3moy h ILE 213 CO 0.10 0.29 0.64 0.78 0.00 0.00 0.00 178.15 179.97 3moy h ASN 214 N 0.64 1.02 0.62 1.72 2.35 -1.04 -2.01 115.58 118.88 3moy h ASN 214 Ca 0.15 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3moy h ASN 214 Cb 0.30 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3moy h ASN 214 CO -0.00 0.64 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.33 3moy h GLU 215 N 1.15 0.00 -0.02 0.81 4.57 -0.41 -2.66 114.58 118.02 3moy h GLU 215 Ca 0.43 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.62 3moy h GLU 215 Cb 0.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3moy h GLU 215 CO -0.18 0.01 0.05 0.00 -1.18 0.00 0.00 179.01 177.72 3moy h ALA 216 N 1.99 1.29 -0.02 2.92 0.00 -0.73 -0.78 119.26 123.91 3moy h ALA 216 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3moy h ALA 216 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3moy h ALA 216 CO 0.00 -0.07 -0.03 1.19 0.00 0.00 0.00 179.25 180.35 3moy n PHE 217 N -3.38 0.00 0.54 0.00 3.72 -1.00 -4.38 117.46 112.95 3moy n PHE 217 Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.44 3moy n PHE 217 Cb 0.13 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.59 3moy n PHE 217 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3moy n GLU 218 N 0.82 2.33 -4.03 -1.08 -0.58 -0.30 -5.04 120.64 112.75 3moy n GLU 218 Ca 0.16 -0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.80 3moy n GLU 218 Cb 0.50 -1.15 -0.10 0.00 -0.57 0.00 0.00 31.44 30.12 3moy n GLU 218 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3moy s ARG 219 N -2.34 0.49 0.84 3.49 0.52 -1.21 -5.10 118.95 115.64 3moy s ARG 219 Ca 0.04 -0.94 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 3moy s ARG 219 Cb 0.10 0.17 0.10 0.00 0.52 0.00 0.00 34.95 35.85 3moy s ARG 219 CO 0.55 -0.09 1.15 -1.25 0.02 0.00 0.00 175.30 175.68 3moy s PRO 220 N -2.85 1.50 0.24 3.54 0.04 -1.26 -4.70 135.00 131.51 3moy s PRO 220 Ca -0.03 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 3moy s PRO 220 Cb 0.00 -1.78 0.34 0.00 0.04 0.00 0.00 34.50 33.11 3moy s PRO 220 CO -0.06 -2.27 1.82 1.25 0.04 0.00 0.00 177.00 177.78 3moy h LEU 221 N -1.35 0.69 -0.41 -3.56 5.85 -1.98 0.30 115.31 114.85 3moy h LEU 221 Ca -0.44 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3moy h LEU 221 Cb 1.27 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3moy h LEU 221 CO 0.45 0.42 0.14 0.28 -0.34 0.00 0.00 178.44 179.39 3moy h SER 222 N 0.82 0.15 0.31 1.25 0.02 -1.99 0.20 113.55 114.31 3moy h SER 222 Ca 0.37 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 61.21 3moy h SER 222 Cb 0.27 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3moy h SER 222 CO -0.21 0.12 -0.62 0.00 -1.14 0.00 0.00 176.83 174.98 3moy h ALA 223 N 1.27 0.79 -0.65 3.77 0.00 -1.77 -2.42 119.26 120.24 3moy h ALA 223 Ca 0.19 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 3moy h ALA 223 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3moy h ALA 223 CO -0.19 0.73 0.17 0.78 0.00 0.00 0.00 179.25 180.75 3moy h GLY 224 N 1.41 1.08 1.07 0.00 0.00 -0.25 -1.11 103.07 105.26 3moy h GLY 224 Ca -0.01 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 3moy h GLY 224 CO 0.10 0.60 0.19 -0.33 0.00 0.00 0.00 176.54 177.10 3moy h MET 225 N 0.97 1.15 -0.38 4.80 2.86 -0.48 -0.31 114.93 123.53 3moy h MET 225 Ca 0.21 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3moy h MET 225 Cb 0.32 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3moy h MET 225 CO -0.00 1.01 0.09 0.00 1.06 0.00 0.00 176.91 179.06 3moy h ARG 226 N 1.09 0.62 -0.30 1.72 3.08 -1.20 -0.23 114.38 119.16 3moy h ARG 226 Ca 0.23 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3moy h ARG 226 Cb 0.36 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3moy h ARG 226 CO 0.00 0.65 0.13 -0.92 -1.07 0.00 0.00 179.97 178.77 3moy h TYR 227 N 0.48 0.24 -0.59 3.04 3.20 -1.01 -1.33 116.97 121.01 3moy h TYR 227 Ca 0.12 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3moy h TYR 227 Cb 0.32 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3moy h TYR 227 CO 0.02 0.13 0.04 1.49 -1.64 0.00 0.00 178.16 178.19 3moy h GLU 228 N 0.29 0.99 -0.72 1.82 4.81 -0.90 -1.69 114.58 119.17 3moy h GLU 228 Ca 0.13 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3moy h GLU 228 Cb 0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3moy h GLU 228 CO -0.10 0.95 0.33 -0.09 -0.73 0.00 0.00 179.01 179.37 3moy h ARG 229 N 0.92 1.05 -0.46 1.92 9.65 -0.75 0.41 114.38 127.12 3moy h ARG 229 Ca 0.17 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 3moy h ARG 229 Cb 0.48 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3moy h ARG 229 CO 0.02 0.84 0.21 -0.44 2.80 0.00 0.00 179.97 183.40 3moy h ASP 230 N 1.02 0.61 -0.76 -3.80 3.32 -1.00 -1.20 116.42 114.61 3moy h ASP 230 Ca 0.25 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3moy h ASP 230 Cb 0.15 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3moy h ASP 230 CO -0.03 0.58 0.38 0.00 -1.72 0.00 0.00 179.24 178.46 3moy h ALA 231 N 1.06 1.21 0.04 3.45 0.00 -0.92 -2.10 119.26 122.00 3moy h ALA 231 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3moy h ALA 231 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3moy h ALA 231 CO -0.02 0.61 -0.02 0.35 0.00 0.00 0.00 179.25 180.17 3moy h PHE 232 N 1.10 -0.05 -0.80 0.00 3.57 -0.58 -2.55 116.94 117.63 3moy h PHE 232 Ca 0.27 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.91 3moy h PHE 232 Cb 0.09 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.76 3moy h PHE 232 CO 0.01 0.15 0.37 1.88 -2.23 0.00 0.00 178.31 178.49 3moy h TYR 233 N -0.25 0.65 0.00 0.41 0.05 -1.06 -1.95 116.97 114.82 3moy h TYR 233 Ca -0.01 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3moy h TYR 233 Cb 0.22 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 3moy h TYR 233 CO -0.01 0.14 -0.06 0.00 -1.05 0.00 0.00 178.16 177.18 3moy h ALA 234 N 1.54 1.05 0.00 3.88 0.00 -1.07 -2.34 119.26 122.32 3moy h ALA 234 Ca 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3moy h ALA 234 Cb 0.62 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3moy h ALA 234 CO -0.37 0.07 -0.04 0.52 0.00 0.00 0.00 179.25 179.43 3moy h MET 235 N 0.00 0.00 0.00 0.00 2.86 -0.95 -2.44 114.93 114.41 3moy h MET 235 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3moy h MET 235 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3moy h MET 235 CO 0.01 0.04 0.00 1.19 1.06 0.00 0.00 176.91 179.21 3moy n PHE 236 N -3.18 0.00 0.61 -0.22 3.01 -0.88 -1.88 117.46 114.92 3moy n PHE 236 Ca -0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 3moy n PHE 236 Cb 0.29 -0.22 0.38 0.00 -0.01 0.00 0.00 39.48 39.91 3moy n PHE 236 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3moy n ASP 237 N -1.22 0.83 -4.88 4.37 2.03 -0.92 -4.92 116.55 111.84 3moy n ASP 237 Ca 0.13 0.54 -0.32 0.00 0.52 0.00 0.00 54.79 55.66 3moy n ASP 237 Cb 0.17 -0.72 -0.05 0.00 -0.72 0.00 0.00 41.12 39.80 3moy n ASP 237 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3moy s THR 238 N -3.11 5.00 0.26 5.18 -4.23 -0.79 -4.99 115.64 112.96 3moy s THR 238 Ca 0.10 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 3moy s THR 238 Cb 0.12 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.60 3moy s THR 238 CO 0.61 0.01 1.92 -0.74 -0.54 0.00 0.00 174.62 175.87 3moy h HIS 239 N 2.78 1.25 -0.20 3.99 2.76 -1.91 -3.04 115.15 120.77 3moy h HIS 239 Ca -0.47 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.71 3moy h HIS 239 Cb 1.17 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 3moy h HIS 239 CO 0.62 0.74 0.04 -0.44 -1.30 0.00 0.00 177.93 177.60 3moy h ASP 240 N 1.31 0.25 -0.21 3.26 5.19 -1.94 -0.65 116.42 123.63 3moy h ASP 240 Ca 0.39 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.75 3moy h ASP 240 Cb -0.06 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3moy h ASP 240 CO -0.11 0.27 0.02 -0.61 -3.12 0.00 0.00 179.24 175.68 3moy h GLN 241 N 0.28 0.36 -0.44 3.56 -0.00 -1.76 0.19 115.11 117.29 3moy h GLN 241 Ca 0.07 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 3moy h GLN 241 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.54 3moy h GLN 241 CO -0.00 0.53 0.21 1.15 0.00 0.00 0.00 178.83 180.72 3moy h THR 242 N 0.14 1.18 -0.40 2.39 2.02 -1.46 -1.88 112.91 114.89 3moy h THR 242 Ca 0.06 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 3moy h THR 242 Cb 0.35 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3moy h THR 242 CO 0.01 0.20 0.01 -0.08 0.37 0.00 0.00 175.52 176.02 3moy h GLU 243 N 0.57 0.71 -0.31 6.66 4.57 -1.08 -0.23 114.58 125.47 3moy h GLU 243 Ca 0.15 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3moy h GLU 243 Cb 0.12 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 3moy h GLU 243 CO -0.02 0.79 0.16 0.78 -1.18 0.00 0.00 179.01 179.54 3moy h GLY 244 N 0.54 0.47 1.38 1.92 0.00 -0.55 -0.21 103.07 106.63 3moy h GLY 244 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3moy h GLY 244 CO 0.02 0.21 -0.56 -0.33 0.00 0.00 0.00 176.54 175.89 3moy h MET 245 N 0.38 0.65 -0.59 4.80 2.86 -1.32 -2.46 114.93 119.24 3moy h MET 245 Ca 0.11 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 57.25 3moy h MET 245 Cb 0.09 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3moy h MET 245 CO -0.02 1.03 0.03 1.15 1.06 0.00 0.00 176.91 180.17 3moy h THR 246 N 0.50 1.26 -0.59 2.22 2.02 -0.94 -1.95 112.91 115.42 3moy h THR 246 Ca 0.01 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 3moy h THR 246 Cb 1.12 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3moy h THR 246 CO 0.11 0.40 0.33 0.00 0.37 0.00 0.00 175.52 176.73 3moy h ALA 247 N 0.99 0.76 0.10 6.16 0.00 -1.01 0.46 119.26 126.72 3moy h ALA 247 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3moy h ALA 247 Cb 0.51 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3moy h ALA 247 CO 0.02 0.27 -0.29 0.35 0.00 0.00 0.00 179.25 179.60 3moy h PHE 248 N 0.80 -0.78 -0.13 0.00 3.57 -1.26 -0.73 116.94 118.42 3moy h PHE 248 Ca 0.21 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3moy h PHE 248 Cb 0.03 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3moy h PHE 248 CO -0.01 -0.39 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.56 3moy h LEU 249 N -0.49 0.17 -2.02 0.59 3.38 -0.99 -1.91 115.31 114.03 3moy h LEU 249 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3moy h LEU 249 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3moy h LEU 249 CO -0.18 0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 3moy n GLU 250 N -4.38 2.45 -4.02 1.13 1.02 0.12 -4.95 120.64 112.01 3moy n GLU 250 Ca -0.01 -1.87 -0.31 0.00 -0.02 0.00 0.00 57.16 54.95 3moy n GLU 250 Cb 0.19 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3moy n GLU 250 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3moy n LYS 251 N 0.87 -4.16 -4.37 3.49 -0.00 -0.57 -4.97 118.16 108.46 3moy n LYS 251 Ca 0.17 0.48 -0.19 0.00 -0.00 0.00 0.00 58.31 58.77 3moy n LYS 251 Cb 0.51 -5.13 -0.10 0.00 -0.00 0.00 0.00 35.03 30.32 3moy n LYS 251 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3moy s ARG 252 N -6.67 1.56 0.10 -1.58 1.70 -0.39 -5.05 118.95 108.63 3moy s ARG 252 Ca 0.50 -1.88 -0.30 0.00 -0.47 0.00 0.00 55.73 53.59 3moy s ARG 252 Cb -0.26 -0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 33.71 3moy s ARG 252 CO 0.88 -0.34 0.95 0.99 -1.08 0.00 0.00 175.30 176.70 3moy s THR 253 N -3.58 4.52 0.49 4.99 2.01 -1.26 -4.33 115.64 118.48 3moy s THR 253 Ca 0.35 2.06 -0.20 0.00 0.31 0.00 0.00 61.69 64.21 3moy s THR 253 Cb 0.07 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.18 3moy s THR 253 CO 0.15 0.31 1.07 -2.16 -0.69 0.00 0.00 174.62 173.30 3moy s PRO 254 N 0.03 3.72 -0.58 4.92 0.04 -1.26 -4.95 135.00 136.92 3moy s PRO 254 Ca 0.47 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 3moy s PRO 254 Cb -0.23 -2.12 0.15 0.00 0.04 0.00 0.00 34.50 32.34 3moy s PRO 254 CO 0.30 -0.52 0.36 -1.21 0.04 0.00 0.00 177.00 175.97 3moy s GLU 255 N -3.17 2.32 0.20 4.56 2.02 -1.26 -5.09 118.70 118.28 3moy s GLU 255 Ca 0.68 -2.55 -0.30 0.00 0.02 0.00 0.00 54.97 52.82 3moy s GLU 255 Cb -0.19 -3.56 -0.08 0.00 0.10 0.00 0.00 34.13 30.40 3moy s GLU 255 CO 0.23 -1.14 1.05 -0.06 0.02 0.00 0.00 175.26 175.35 3moy s PHE 256 N -0.13 3.69 0.00 1.61 0.08 -1.26 -4.95 117.98 117.02 3moy s PHE 256 Ca 0.17 1.70 0.00 0.00 0.12 0.00 0.00 56.93 58.92 3moy s PHE 256 Cb -0.22 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 3moy s PHE 256 CO -0.02 -0.29 0.00 0.25 -0.10 0.00 0.00 175.22 175.06 3moy n THR 257 N 2.07 0.00 -2.17 0.64 -2.24 -1.26 -5.06 114.28 106.25 3moy n THR 257 Ca 0.01 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 3moy n THR 257 Cb 0.46 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3moy n THR 257 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3moy s ASP 258 N -0.89 5.98 0.00 3.42 1.01 -1.26 -5.08 116.67 119.84 3moy s ASP 258 Ca 0.00 2.38 0.29 0.00 0.71 0.00 0.00 52.55 55.93 3moy s ASP 258 Cb 0.00 -2.61 1.24 0.00 1.01 0.00 0.00 42.92 42.57 3moy s ASP 258 CO 0.00 -1.06 1.85 0.54 0.21 0.00 0.00 175.17 176.72