#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hin n ALA 10 N 0.00 -1.92 -2.32 0.00 0.00 -1.26 -5.00 120.51 110.02 3hin n ALA 10 Ca 0.00 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.49 3hin n ALA 10 Cb 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 3hin n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hin s THR 11 N -3.28 4.80 0.15 0.00 -4.23 -1.26 -5.04 115.64 106.78 3hin s THR 11 Ca 0.00 0.98 -0.28 0.00 -1.18 0.00 0.00 61.69 61.21 3hin s THR 11 Cb 0.00 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.98 3hin s THR 11 CO 0.00 0.34 0.89 -0.63 -0.54 0.00 0.00 174.62 174.67 3hin s ILE 12 N -1.36 4.39 0.48 2.99 -1.09 -1.26 -4.91 121.20 120.44 3hin s ILE 12 Ca 0.35 1.93 -0.24 0.00 -2.23 0.00 0.00 60.65 60.46 3hin s ILE 12 Cb -0.16 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.39 3hin s ILE 12 CO 0.19 0.42 1.39 0.00 -1.23 0.00 0.00 174.94 175.71 3hin s ALA 13 N -0.57 3.11 -0.83 9.38 0.00 -1.26 -4.51 121.76 127.08 3hin s ALA 13 Ca 0.42 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.75 3hin s ALA 13 Cb -0.24 -3.57 0.21 0.00 0.00 0.00 0.00 23.12 19.52 3hin s ALA 13 CO 0.29 -1.22 0.70 0.34 0.00 0.00 0.00 175.76 175.87 3hin s ASP 14 N -0.67 5.89 0.23 0.00 3.68 -0.50 -4.86 116.67 120.43 3hin s ASP 14 Ca 0.64 -3.44 0.15 0.00 2.13 0.00 0.00 52.55 52.04 3hin s ASP 14 Cb -0.42 -1.92 0.83 0.00 -1.45 0.00 0.00 42.92 39.96 3hin s ASP 14 CO 0.53 -0.26 1.47 -0.81 0.13 0.00 0.00 175.17 176.23 3hin n PRO 15 N 2.74 0.10 0.05 4.34 -0.04 -1.26 -1.10 135.00 139.83 3hin n PRO 15 Ca 0.18 0.60 0.11 0.00 -0.04 0.00 0.00 63.50 64.35 3hin n PRO 15 Cb 0.38 -1.82 0.46 0.00 -0.04 0.00 0.00 33.50 32.47 3hin n PRO 15 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hin n SER 16 N -2.04 0.34 -0.34 3.54 3.41 -1.26 -2.42 113.62 114.85 3hin n SER 16 Ca -0.01 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 3hin n SER 16 Cb 0.03 -0.64 0.21 0.00 -0.26 0.00 0.00 64.21 63.55 3hin n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hin n THR 17 N -1.84 0.21 -3.98 6.66 -2.24 -0.25 -4.86 114.28 107.98 3hin n THR 17 Ca 0.05 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 3hin n THR 17 Cb 0.29 0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 3hin n THR 17 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hin s LEU 18 N -1.19 2.20 -0.23 3.22 1.43 -1.02 -1.60 118.68 121.49 3hin s LEU 18 Ca 0.19 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3hin s LEU 18 Cb 0.09 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.41 3hin s LEU 18 CO 0.14 -0.23 -0.10 -0.69 0.23 0.00 0.00 176.35 175.69 3hin s VAL 19 N -1.19 1.88 -0.21 -1.59 1.01 0.34 -4.88 120.40 115.77 3hin s VAL 19 Ca -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 3hin s VAL 19 Cb -0.08 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3hin s VAL 19 CO -0.01 0.05 -0.04 -0.69 0.00 0.00 0.00 175.10 174.41 3hin s VAL 20 N 1.26 3.51 0.36 2.92 1.01 -1.26 -0.14 120.40 128.05 3hin s VAL 20 Ca -0.05 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3hin s VAL 20 Cb -0.18 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3hin s VAL 20 CO -0.07 0.43 0.14 -0.62 0.00 0.00 0.00 175.10 174.98 3hin s ASP 21 N 1.22 2.30 -0.17 3.32 2.15 0.05 -4.98 116.67 120.56 3hin s ASP 21 Ca 0.03 -1.61 -0.01 0.00 0.43 0.00 0.00 52.55 51.39 3hin s ASP 21 Cb -0.14 0.40 0.05 0.00 -0.30 0.00 0.00 42.92 42.92 3hin s ASP 21 CO -0.01 -0.88 -0.02 -0.89 -0.17 0.00 0.00 175.17 173.19 3hin s THR 22 N -3.35 0.92 -0.37 1.71 2.01 -1.26 0.00 115.64 115.30 3hin s THR 22 Ca 0.30 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 3hin s THR 22 Cb 0.04 -1.19 0.07 0.00 0.01 0.00 0.00 72.50 71.43 3hin s THR 22 CO 0.16 0.03 0.14 -0.69 -0.69 0.00 0.00 174.62 173.57 3hin s VAL 23 N 1.70 3.52 0.00 3.82 1.01 0.79 -4.96 120.40 126.29 3hin s VAL 23 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.45 3hin s VAL 23 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3hin s VAL 23 CO -0.07 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3hin n GLY 24 N 4.72 3.66 1.71 4.51 0.00 -1.26 -1.74 105.19 116.79 3hin n GLY 24 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3hin n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hin n PRO 25 N 14.00 4.31 -3.74 1.61 -0.04 -1.26 -4.83 135.00 145.05 3hin n PRO 25 Ca 0.00 -2.85 -0.37 0.00 -0.04 0.00 0.00 63.50 60.24 3hin n PRO 25 Cb 0.00 -2.11 -0.12 0.00 -0.04 0.00 0.00 33.50 31.22 3hin n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hin s VAL 26 N -2.40 4.22 -0.35 0.52 1.01 -0.71 0.52 120.40 123.21 3hin s VAL 26 Ca 0.50 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 3hin s VAL 26 Cb 0.36 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3hin s VAL 26 CO 0.17 0.17 1.13 -0.22 0.00 0.00 0.00 175.10 176.36 3hin s LEU 27 N 1.57 3.85 -0.13 3.92 2.96 -0.02 -0.15 118.68 130.68 3hin s LEU 27 Ca 0.04 0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 54.83 3hin s LEU 27 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3hin s LEU 27 CO 0.04 -1.01 0.09 0.42 -1.32 0.00 0.00 176.35 174.56 3hin s THR 28 N 4.00 5.07 -0.29 3.68 -4.23 0.10 -1.58 115.64 122.39 3hin s THR 28 Ca 0.48 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 3hin s THR 28 Cb -0.12 -3.21 0.09 0.00 1.34 0.00 0.00 72.50 70.60 3hin s THR 28 CO 0.21 0.58 0.05 -0.63 -0.54 0.00 0.00 174.62 174.29 3hin s ILE 29 N -0.68 1.22 -0.25 2.99 1.01 0.43 -0.77 121.20 125.15 3hin s ILE 29 Ca 0.12 -1.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.23 3hin s ILE 29 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3hin s ILE 29 CO 0.02 -0.50 0.15 -0.83 0.00 0.00 0.00 174.94 173.79 3hin s GLY 30 N 1.47 1.94 0.04 6.18 0.00 0.80 -1.40 107.32 116.34 3hin s GLY 30 Ca 0.06 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 3hin s GLY 30 CO -0.16 0.46 1.37 1.08 0.00 0.00 0.00 173.10 175.85 3hin s LEU 31 N 1.27 4.34 -0.44 0.66 1.02 0.66 -0.51 118.68 125.68 3hin s LEU 31 Ca 0.07 2.15 0.10 0.00 0.02 0.00 0.00 54.13 56.47 3hin s LEU 31 Cb -0.14 -3.57 0.36 0.00 0.02 0.00 0.00 46.19 42.86 3hin s LEU 31 CO 0.06 -0.67 0.85 -3.20 0.02 0.00 0.00 176.35 173.41 3hin n ASN 32 N 4.82 2.45 -3.04 2.29 5.15 -0.63 -0.60 115.26 125.70 3hin n ASN 32 Ca 0.12 -3.27 -0.24 0.00 -0.60 0.00 0.00 54.58 50.60 3hin n ASN 32 Cb 0.44 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.07 3hin n ASN 32 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hin n ARG 33 N 0.01 2.35 0.26 1.20 1.74 -1.26 -4.53 116.66 116.43 3hin n ARG 33 Ca 0.27 -4.28 0.10 0.00 -0.77 0.00 0.00 57.85 53.16 3hin n ARG 33 Cb 0.58 -2.03 0.70 0.00 -1.02 0.00 0.00 32.46 30.69 3hin n ARG 33 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hin h PRO 34 N 3.01 0.00 0.00 5.56 0.13 -1.87 0.27 132.00 139.11 3hin h PRO 34 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 3hin h PRO 34 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 3hin h PRO 34 CO 0.69 0.07 -0.16 0.87 -0.23 0.00 0.00 178.00 179.25 3hin h LYS 35 N 0.00 0.00 -0.63 0.86 1.57 -1.96 -1.44 116.57 114.97 3hin h LYS 35 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3hin h LYS 35 Cb 0.15 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.11 3hin h LYS 35 CO 0.01 0.16 -0.66 0.36 -0.57 0.00 0.00 179.45 178.74 3hin n LYS 36 N -3.65 3.20 -3.74 3.15 2.85 -0.81 -4.97 118.16 114.20 3hin n LYS 36 Ca -0.02 -3.96 -0.29 0.00 -1.05 0.00 0.00 58.31 53.00 3hin n LYS 36 Cb 0.28 -2.16 0.01 0.00 -0.65 0.00 0.00 35.03 32.51 3hin n LYS 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hin n ARG 37 N -0.80 -4.63 -2.33 -1.58 1.74 -0.54 -0.62 116.66 107.91 3hin n ARG 37 Ca 0.41 0.56 -0.19 0.00 -0.77 0.00 0.00 57.85 57.86 3hin n ARG 37 Cb 0.91 -5.39 -0.01 0.00 -1.02 0.00 0.00 32.46 26.96 3hin n ARG 37 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hin n ASN 38 N -2.64 -5.50 -4.62 0.55 3.02 0.89 -1.65 115.26 105.31 3hin n ASN 38 Ca 0.02 0.00 -0.54 0.00 -0.03 0.00 0.00 54.58 54.04 3hin n ASN 38 Cb 0.53 -4.55 -0.06 0.00 -0.61 0.00 0.00 39.78 35.09 3hin n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hin n ALA 39 N -1.79 -0.83 -1.76 5.41 0.00 0.21 -4.26 120.51 117.49 3hin n ALA 39 Ca -0.23 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 3hin n ALA 39 Cb 0.67 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 3hin n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hin s LEU 40 N 1.35 4.48 0.30 0.00 1.43 0.82 -4.69 118.68 122.37 3hin s LEU 40 Ca 0.89 2.22 -0.00 0.00 -1.03 0.00 0.00 54.13 56.21 3hin s LEU 40 Cb -1.00 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 41.48 3hin s LEU 40 CO 0.53 -0.20 0.35 0.54 0.23 0.00 0.00 176.35 177.79 3hin s ASN 41 N -1.01 0.89 0.34 2.29 2.20 -1.26 -1.80 114.94 116.59 3hin s ASN 41 Ca 0.47 -1.49 0.04 0.00 -0.94 0.00 0.00 52.86 50.94 3hin s ASN 41 Cb -0.30 0.57 0.61 0.00 -2.00 0.00 0.00 41.25 40.13 3hin s ASN 41 CO 0.38 -1.12 1.89 0.44 -2.94 0.00 0.00 177.10 175.75 3hin h ASP 42 N 2.23 0.52 1.10 3.54 3.32 -1.97 -1.47 116.42 123.69 3hin h ASP 42 Ca -0.29 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.53 3hin h ASP 42 Cb 1.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3hin h ASP 42 CO 0.40 0.56 -0.71 1.23 -1.72 0.00 0.00 179.24 179.00 3hin h GLY 43 N 0.82 0.00 0.71 2.75 0.00 -1.95 0.14 103.07 105.54 3hin h GLY 43 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3hin h GLY 43 CO 0.00 0.00 -0.21 -2.00 0.00 0.00 0.00 176.54 174.34 3hin h LEU 44 N 0.00 0.38 -0.74 3.11 6.46 -1.65 -0.23 115.31 122.64 3hin h LEU 44 Ca -0.01 -0.55 0.05 0.00 -0.12 0.00 0.00 57.88 57.25 3hin h LEU 44 Cb 1.46 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.23 3hin h LEU 44 CO 0.09 0.86 0.45 0.24 -0.62 0.00 0.00 178.44 179.46 3hin h MET 45 N -0.09 0.81 -0.51 1.25 2.86 -1.22 0.27 114.93 118.31 3hin h MET 45 Ca 0.01 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3hin h MET 45 Cb 0.79 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3hin h MET 45 CO 0.05 0.54 0.07 0.00 1.06 0.00 0.00 176.91 178.63 3hin h ALA 46 N 1.35 0.67 -0.67 6.32 0.00 -0.89 -0.79 119.26 125.26 3hin h ALA 46 Ca 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hin h ALA 46 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hin h ALA 46 CO -0.16 0.42 0.42 0.00 0.00 0.00 0.00 179.25 179.94 3hin h ALA 47 N 0.97 0.85 0.07 0.00 0.00 -0.36 -1.74 119.26 119.04 3hin h ALA 47 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hin h ALA 47 Cb 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hin h ALA 47 CO 0.01 0.29 -0.18 1.25 0.00 0.00 0.00 179.25 180.63 3hin h LEU 48 N 0.90 -0.50 -0.71 0.00 5.85 -0.21 -1.97 115.31 118.67 3hin h LEU 48 Ca 0.24 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.15 3hin h LEU 48 Cb -0.07 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 3hin h LEU 48 CO -0.05 -0.25 0.29 0.50 -0.34 0.00 0.00 178.44 178.59 3hin h LYS 49 N -0.33 0.45 -0.28 1.25 3.64 -0.97 -1.73 116.57 118.60 3hin h LYS 49 Ca 0.03 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3hin h LYS 49 Cb 0.36 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 3hin h LYS 49 CO -0.12 0.30 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.89 3hin h ASP 50 N 0.46 -0.18 -0.64 4.20 5.19 -1.10 -1.47 116.42 122.89 3hin h ASP 50 Ca 0.38 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 3hin h ASP 50 Cb 0.52 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 3hin h ASP 50 CO -0.36 -0.06 0.42 0.00 -3.12 0.00 0.00 179.24 176.12 3hin n LEU 52 N -4.43 1.72 -4.69 0.00 4.77 -0.87 -4.66 117.00 108.83 3hin n LEU 52 Ca 0.06 -0.86 -0.35 0.00 -0.03 0.00 0.00 56.01 54.83 3hin n LEU 52 Cb 0.04 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 3hin n LEU 52 CO 0.36 0.37 -0.22 -0.89 -1.33 0.00 0.00 177.39 175.69 3hin s THR 53 N -1.64 5.08 -1.26 -5.08 2.01 -0.38 -4.54 115.64 109.84 3hin s THR 53 Ca 0.19 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 3hin s THR 53 Cb 0.11 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 3hin s THR 53 CO 0.11 0.47 0.82 0.47 -0.69 0.00 0.00 174.62 175.80 3hin n ASP 54 N 3.40 -1.71 -4.67 3.53 8.00 -1.26 -4.85 116.55 118.99 3hin n ASP 54 Ca -0.17 -0.75 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 3hin n ASP 54 Cb 0.52 -4.48 -0.03 0.00 -0.02 0.00 0.00 41.12 37.12 3hin n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hin s ILE 55 N -3.54 3.33 0.81 0.53 1.01 -1.26 -4.92 121.20 117.16 3hin s ILE 55 Ca 0.02 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.10 3hin s ILE 55 Cb -0.00 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.12 3hin s ILE 55 CO 0.78 -0.03 0.78 -2.65 0.00 0.00 0.00 174.94 173.82 3hin n PRO 56 N 6.52 0.14 -0.07 2.79 -0.02 -1.26 -4.88 135.00 138.21 3hin n PRO 56 Ca 0.17 0.10 0.07 0.00 -2.02 0.00 0.00 63.50 61.82 3hin n PRO 56 Cb 0.42 -2.09 0.43 0.00 -0.02 0.00 0.00 33.50 32.24 3hin n PRO 56 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hin h ASP 57 N -0.83 0.49 0.31 2.55 3.32 -2.04 -2.24 116.42 117.98 3hin h ASP 57 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hin h ASP 57 Cb 1.31 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hin h ASP 57 CO 0.42 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 3hin n GLN 58 N -4.47 0.01 -3.34 3.56 0.00 -1.26 -4.68 117.38 107.20 3hin n GLN 58 Ca 0.07 0.36 -0.38 0.00 0.00 0.00 0.00 57.00 57.05 3hin n GLN 58 Cb 0.19 -1.52 -0.06 0.00 0.00 0.00 0.00 30.24 28.85 3hin n GLN 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3hin s ILE 59 N -3.02 5.19 0.00 -0.39 -1.09 -0.84 -4.59 121.20 116.46 3hin s ILE 59 Ca 0.04 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 3hin s ILE 59 Cb 0.06 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3hin s ILE 59 CO 0.17 0.34 0.58 0.54 -1.23 0.00 0.00 174.94 175.34 3hin n ARG 60 N 3.59 0.07 -3.47 2.79 1.74 0.19 -4.96 116.66 116.60 3hin n ARG 60 Ca -0.08 -0.70 -0.11 0.00 -0.77 0.00 0.00 57.85 56.19 3hin n ARG 60 Cb 0.52 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.99 3hin n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hin s ALA 61 N -0.24 -1.73 -0.10 7.54 0.00 -1.10 -4.33 121.76 121.81 3hin s ALA 61 Ca 0.00 0.87 0.01 0.00 0.00 0.00 0.00 51.96 52.84 3hin s ALA 61 Cb 0.00 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3hin s ALA 61 CO 0.00 -0.65 -0.13 0.08 0.00 0.00 0.00 175.76 175.06 3hin s VAL 62 N -2.98 1.30 -0.22 0.00 1.01 -0.78 -0.84 120.40 117.89 3hin s VAL 62 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3hin s VAL 62 Cb -0.01 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3hin s VAL 62 CO -0.07 0.40 0.02 -0.69 0.00 0.00 0.00 175.10 174.76 3hin s VAL 63 N 1.04 4.00 -0.17 2.92 1.01 -0.61 -0.22 120.40 128.37 3hin s VAL 63 Ca -0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 3hin s VAL 63 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3hin s VAL 63 CO -0.02 0.39 0.08 -0.63 0.00 0.00 0.00 175.10 174.93 3hin s ILE 64 N 1.33 4.98 0.18 2.22 1.01 0.17 -0.42 121.20 130.67 3hin s ILE 64 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 3hin s ILE 64 Cb -0.15 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 3hin s ILE 64 CO 0.01 0.49 0.35 -1.38 0.00 0.00 0.00 174.94 174.41 3hin s HIS 65 N 0.10 0.34 -0.09 3.97 -3.43 -0.49 -1.02 115.29 114.68 3hin s HIS 65 Ca 0.06 -0.69 -0.01 0.00 -0.80 0.00 0.00 55.06 53.62 3hin s HIS 65 Cb -0.12 0.03 -0.03 0.00 -1.43 0.00 0.00 32.58 31.03 3hin s HIS 65 CO 0.00 -0.79 -0.02 0.20 -2.00 0.00 0.00 174.74 172.13 3hin s GLY 66 N -2.97 1.79 0.09 -1.38 0.00 -1.26 -0.25 107.32 103.35 3hin s GLY 66 Ca 0.17 -0.83 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 3hin s GLY 66 CO 0.01 -0.55 0.71 -0.42 0.00 0.00 0.00 173.10 172.85 3hin s ILE 67 N -0.75 4.61 0.00 0.90 -1.09 0.23 -4.85 121.20 120.24 3hin s ILE 67 Ca 0.11 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 3hin s ILE 67 Cb -0.11 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 3hin s ILE 67 CO 0.02 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 3hin n GLY 68 N 1.95 -1.51 0.07 6.18 0.00 -1.26 -4.47 105.19 106.14 3hin n GLY 68 Ca -0.06 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.03 3hin n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hin n ASP 69 N 0.00 0.61 -4.36 1.61 8.00 -1.26 -4.93 116.55 116.23 3hin n ASP 69 Ca 0.00 0.49 -0.26 0.00 0.71 0.00 0.00 54.79 55.73 3hin n ASP 69 Cb 0.00 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.37 3hin n ASP 69 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hin s HIS 70 N -3.08 2.06 0.00 1.24 3.76 -1.26 -3.44 115.29 114.57 3hin s HIS 70 Ca 0.11 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3hin s HIS 70 Cb 0.14 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.75 3hin s HIS 70 CO 0.60 0.33 0.43 0.34 -0.85 0.00 0.00 174.74 175.59 3hin n PHE 71 N 0.71 0.00 -3.64 1.40 7.35 -0.44 -4.32 117.46 118.51 3hin n PHE 71 Ca -0.16 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.46 3hin n PHE 71 Cb 0.55 -0.47 -0.07 0.00 0.35 0.00 0.00 39.48 39.84 3hin n PHE 71 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hin s SER 72 N -2.47 -0.61 -0.00 -2.13 0.15 -0.40 -4.65 113.70 103.59 3hin s SER 72 Ca 0.00 1.06 0.08 0.00 0.70 0.00 0.00 55.95 57.79 3hin s SER 72 Cb 0.00 1.17 0.23 0.00 -1.71 0.00 0.00 66.02 65.71 3hin s SER 72 CO 0.00 -0.17 1.18 0.00 1.20 0.00 0.00 173.24 175.44 3hin n ALA 73 N 3.19 2.49 -0.03 5.45 0.00 -0.66 -2.06 120.51 128.89 3hin n ALA 73 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3hin n ALA 73 Cb 0.57 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3hin n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hin n GLY 74 N 0.88 -0.23 3.71 0.00 0.00 -1.10 -4.70 105.19 103.75 3hin n GLY 74 Ca 0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3hin n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hin s LEU 75 N 0.00 4.37 -0.29 0.99 2.96 -1.26 -0.13 118.68 125.32 3hin s LEU 75 Ca 0.00 2.46 -0.28 0.00 -0.22 0.00 0.00 54.13 56.09 3hin s LEU 75 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 3hin s LEU 75 CO 0.00 -0.76 2.27 -0.62 -1.32 0.00 0.00 176.35 175.92 3hin s ASP 76 N 1.37 5.18 0.25 3.68 -1.08 -0.74 -4.80 116.67 120.52 3hin s ASP 76 Ca 0.68 1.68 0.26 0.00 -0.52 0.00 0.00 52.55 54.65 3hin s ASP 76 Cb -0.40 -2.51 0.78 0.00 -1.46 0.00 0.00 42.92 39.33 3hin s ASP 76 CO 0.31 -2.20 1.76 -0.07 0.52 0.00 0.00 175.17 175.48 3hin h LEU 77 N 16.28 0.00 -0.21 -1.34 3.38 -1.91 -2.02 115.31 129.48 3hin h LEU 77 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hin h LEU 77 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hin h LEU 77 CO 1.01 0.00 -0.08 -1.54 0.09 0.00 0.00 178.44 177.92 3hin n SER 78 N -2.37 0.41 -0.31 -0.43 3.41 -1.26 -4.04 113.62 109.03 3hin n SER 78 Ca 0.05 -0.59 0.07 0.00 -0.26 0.00 0.00 58.87 58.14 3hin n SER 78 Cb 0.42 -0.09 0.11 0.00 -0.26 0.00 0.00 64.21 64.40 3hin n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hin n GLU 79 N -0.96 0.98 -1.67 4.33 1.02 -0.76 -5.03 120.64 118.55 3hin n GLU 79 Ca 0.15 -2.30 -0.45 0.00 -0.02 0.00 0.00 57.16 54.53 3hin n GLU 79 Cb 0.26 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3hin n GLU 79 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hin n LEU 80 N -0.99 3.09 -4.37 -4.62 4.32 -1.21 -4.99 117.00 108.23 3hin n LEU 80 Ca 0.12 1.11 -0.33 0.00 -0.02 0.00 0.00 56.01 56.90 3hin n LEU 80 Cb 0.68 -1.43 -0.14 0.00 -1.62 0.00 0.00 43.42 40.91 3hin n LEU 80 CO -0.00 -0.39 -0.47 -0.60 -1.22 0.00 0.00 177.39 174.71 3hin s ARG 81 N 0.26 3.08 0.18 3.23 3.52 -1.26 -5.10 118.95 122.85 3hin s ARG 81 Ca 0.74 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 3hin s ARG 81 Cb -0.67 -2.50 -0.08 0.00 -1.56 0.00 0.00 34.95 30.14 3hin s ARG 81 CO 0.44 0.32 1.26 -1.83 -0.81 0.00 0.00 175.30 174.67 3hin s GLU 82 N 0.05 4.43 -0.13 5.12 -1.05 -1.26 -5.02 118.70 120.84 3hin s GLU 82 Ca -0.06 1.96 -0.07 0.00 -0.15 0.00 0.00 54.97 56.65 3hin s GLU 82 Cb -0.15 -3.23 0.05 0.00 -0.44 0.00 0.00 34.13 30.37 3hin s GLU 82 CO 0.05 -0.19 0.31 1.03 0.95 0.00 0.00 175.26 177.41 3hin s ARG 83 N -0.05 0.27 0.89 -4.83 0.52 -1.26 -5.09 118.95 109.40 3hin s ARG 83 Ca 0.55 0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 56.29 3hin s ARG 83 Cb -0.34 -0.07 0.13 0.00 0.52 0.00 0.00 34.95 35.18 3hin s ARG 83 CO 0.37 -0.17 1.17 0.16 0.02 0.00 0.00 175.30 176.84 3hin s ASP 84 N 1.41 3.76 0.25 0.23 1.47 -1.26 -4.69 116.67 117.85 3hin s ASP 84 Ca -0.09 0.82 -0.08 0.00 1.18 0.00 0.00 52.55 54.38 3hin s ASP 84 Cb -0.10 -1.31 0.42 0.00 -0.34 0.00 0.00 42.92 41.59 3hin s ASP 84 CO -0.10 -2.38 1.60 0.00 0.68 0.00 0.00 175.17 174.97 3hin h ALA 85 N -1.38 0.68 -0.24 2.11 0.00 -2.02 0.16 119.26 118.57 3hin h ALA 85 Ca -0.48 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3hin h ALA 85 Cb 1.32 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3hin h ALA 85 CO 0.60 -0.43 -0.03 1.15 0.00 0.00 0.00 179.25 180.55 3hin h THR 86 N 0.03 1.27 -0.62 0.00 2.02 -2.00 -2.07 112.91 111.55 3hin h THR 86 Ca 0.42 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.63 3hin h THR 86 Cb 0.70 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3hin h THR 86 CO -0.80 0.31 0.40 -0.33 0.37 0.00 0.00 175.52 175.47 3hin h GLU 87 N 0.21 0.78 0.00 6.66 5.08 -1.45 -0.81 114.58 125.05 3hin h GLU 87 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3hin h GLU 87 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hin h GLU 87 CO 0.02 0.51 -0.27 0.78 -1.00 0.00 0.00 179.01 179.05 3hin h GLY 88 N 0.80 0.00 0.79 -3.84 0.00 -0.60 0.21 103.07 100.43 3hin h GLY 88 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3hin h GLY 88 CO -0.07 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.39 3hin h LEU 89 N 0.00 -0.19 -0.71 3.11 5.85 -0.61 -0.93 115.31 121.84 3hin h LEU 89 Ca -0.00 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 3hin h LEU 89 Cb 0.52 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3hin h LEU 89 CO 0.04 0.06 0.41 0.58 -0.34 0.00 0.00 178.44 179.19 3hin h VAL 90 N -0.43 1.01 -0.24 1.05 2.07 -0.50 -1.25 116.25 117.95 3hin h VAL 90 Ca -0.02 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3hin h VAL 90 Cb 0.34 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3hin h VAL 90 CO 0.04 0.14 -0.07 -0.74 0.02 0.00 0.00 177.57 176.96 3hin h HIS 91 N 0.77 0.53 -0.36 1.57 -0.00 -0.60 -1.89 115.15 115.17 3hin h HIS 91 Ca 0.31 -0.12 0.07 0.00 -0.00 0.00 0.00 60.37 60.63 3hin h HIS 91 Cb 0.15 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.37 3hin h HIS 91 CO -0.06 0.71 -0.06 1.03 -0.00 0.00 0.00 177.93 179.55 3hin h SER 92 N 0.21 -0.27 -0.53 3.26 0.87 -0.96 -2.54 113.55 113.59 3hin h SER 92 Ca 0.06 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3hin h SER 92 Cb 0.54 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 3hin h SER 92 CO 0.03 -0.09 0.26 1.56 -0.53 0.00 0.00 176.83 178.05 3hin h GLN 93 N 0.03 0.48 -0.72 2.24 1.08 -0.99 -0.61 115.11 116.62 3hin h GLN 93 Ca 0.18 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.49 3hin h GLN 93 Cb 0.26 -0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 27.45 3hin h GLN 93 CO -0.34 0.32 -0.23 1.15 -0.95 0.00 0.00 178.83 178.78 3hin h THR 94 N 0.50 0.22 -0.28 -0.54 2.02 -1.17 0.25 112.91 113.91 3hin h THR 94 Ca 0.24 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.31 3hin h THR 94 Cb 0.17 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 3hin h THR 94 CO -0.18 0.00 -0.29 -0.50 0.37 0.00 0.00 175.52 174.92 3hin h TRP 95 N -0.04 0.65 -0.46 3.16 4.06 -0.82 -2.07 115.95 120.44 3hin h TRP 95 Ca 0.33 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 3hin h TRP 95 Cb 0.55 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 3hin h TRP 95 CO -0.62 0.80 0.25 0.45 -3.56 0.00 0.00 178.44 175.77 3hin h HIS 96 N 0.49 0.60 -0.04 0.49 3.86 0.17 -1.95 115.15 118.78 3hin h HIS 96 Ca 0.06 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 3hin h HIS 96 Cb 0.76 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3hin h HIS 96 CO 0.03 0.42 -0.49 0.00 0.86 0.00 0.00 177.93 178.76 3hin h ARG 97 N 0.63 0.09 -0.03 2.45 2.47 -0.29 -0.06 114.38 119.65 3hin h ARG 97 Ca 0.16 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3hin h ARG 97 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3hin h ARG 97 CO -0.03 0.56 0.01 0.28 0.56 0.00 0.00 179.97 181.35 3hin h VAL 98 N 0.07 1.20 0.00 2.04 2.07 -1.14 -3.13 116.25 117.37 3hin h VAL 98 Ca 0.00 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3hin h VAL 98 Cb 0.89 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3hin h VAL 98 CO 0.07 0.16 -0.19 -0.26 0.02 0.00 0.00 177.57 177.37 3hin h PHE 99 N -0.19 0.00 -0.37 1.57 0.04 -0.96 -1.63 116.94 115.40 3hin h PHE 99 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3hin h PHE 99 Cb 0.25 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 3hin h PHE 99 CO 0.01 0.19 0.20 -0.44 -0.60 0.00 0.00 178.31 177.67 3hin h ASP 100 N 0.00 0.45 0.99 2.17 3.45 -0.96 -0.54 116.42 121.97 3hin h ASP 100 Ca -0.00 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3hin h ASP 100 Cb 0.55 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3hin h ASP 100 CO 0.02 0.36 0.00 0.11 -1.57 0.00 0.00 179.24 178.17 3hin h LYS 101 N 0.51 0.00 0.00 3.56 1.79 -1.29 0.48 116.57 121.62 3hin h LYS 101 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3hin h LYS 101 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3hin h LYS 101 CO -0.02 0.00 -0.08 0.82 -1.08 0.00 0.00 179.45 179.09 3hin h ILE 102 N 0.00 0.00 -0.62 1.86 2.04 -1.31 -3.11 117.51 116.37 3hin h ILE 102 Ca 0.00 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.03 3hin h ILE 102 Cb 0.49 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.47 3hin h ILE 102 CO 0.00 0.00 0.01 -0.61 0.00 0.00 0.00 178.15 177.55 3hin h GLN 103 N -0.96 0.12 -0.57 2.37 4.15 -1.09 -2.01 115.11 117.13 3hin h GLN 103 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3hin h GLN 103 Cb 0.08 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 3hin h GLN 103 CO 0.00 0.08 0.12 0.66 -1.93 0.00 0.00 178.83 177.76 3hin n TYR 104 N -5.27 1.95 -1.73 3.99 4.02 0.15 -4.93 117.16 115.34 3hin n TYR 104 Ca 0.09 -1.05 -0.38 0.00 -0.01 0.00 0.00 57.90 56.55 3hin n TYR 104 Cb 0.36 -0.55 0.05 0.00 -0.02 0.00 0.00 39.34 39.17 3hin n TYR 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hin h ARG 106 N 1.20 0.00 -6.09 0.00 0.11 -1.90 -3.44 114.38 104.26 3hin h ARG 106 Ca -0.51 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 58.99 3hin h ARG 106 Cb 1.32 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.28 3hin h ARG 106 CO 0.56 0.00 -0.66 0.14 0.10 0.00 0.00 179.97 180.11 3hin s VAL 107 N -3.52 2.73 0.44 0.08 -7.23 -1.26 -4.74 120.40 106.90 3hin s VAL 107 Ca 0.03 -2.07 -0.23 0.00 -1.81 0.00 0.00 61.98 57.90 3hin s VAL 107 Cb 0.08 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 3hin s VAL 107 CO 0.59 -0.27 1.12 -2.84 -0.31 0.00 0.00 175.10 173.38 3hin s PRO 108 N -3.66 3.90 -0.16 4.82 0.01 -1.26 -4.82 135.00 133.83 3hin s PRO 108 Ca 0.33 1.66 -0.03 0.00 0.01 0.00 0.00 61.00 62.97 3hin s PRO 108 Cb -0.02 -2.44 -0.02 0.00 0.01 0.00 0.00 34.50 32.03 3hin s PRO 108 CO 0.18 -0.41 -0.05 0.08 0.01 0.00 0.00 177.00 176.82 3hin s VAL 109 N -1.61 3.69 -0.12 3.83 1.01 -1.26 -1.87 120.40 124.08 3hin s VAL 109 Ca 0.62 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3hin s VAL 109 Cb -0.26 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3hin s VAL 109 CO 0.31 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 175.12 3hin s ILE 110 N 0.52 2.90 -0.20 2.22 1.09 0.70 -1.21 121.20 127.23 3hin s ILE 110 Ca -0.04 -0.72 -0.07 0.00 -1.10 0.00 0.00 60.65 58.72 3hin s ILE 110 Cb -0.15 -2.19 -0.03 0.00 -1.06 0.00 0.00 42.46 39.03 3hin s ILE 110 CO 0.03 0.54 0.04 0.00 -0.10 0.00 0.00 174.94 175.45 3hin s ALA 111 N 0.25 3.24 -0.39 9.38 0.00 -0.04 -0.66 121.76 133.54 3hin s ALA 111 Ca -0.10 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 3hin s ALA 111 Cb -0.16 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.08 3hin s ALA 111 CO 0.06 -0.02 0.53 0.00 0.00 0.00 0.00 175.76 176.33 3hin s ALA 112 N 0.75 3.43 -0.16 0.00 0.00 -0.18 -0.99 121.76 124.61 3hin s ALA 112 Ca 0.02 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 3hin s ALA 112 Cb -0.14 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3hin s ALA 112 CO 0.02 -1.45 0.09 -0.51 0.00 0.00 0.00 175.76 173.91 3hin s LEU 113 N 2.45 4.04 0.13 0.00 1.43 0.32 -4.33 118.68 122.72 3hin s LEU 113 Ca 0.18 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 3hin s LEU 113 Cb -0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3hin s LEU 113 CO 0.15 0.27 0.28 -1.59 0.23 0.00 0.00 176.35 175.68 3hin s LYS 114 N -0.18 1.02 3.04 1.70 -2.85 -1.26 -1.36 119.74 119.86 3hin s LYS 114 Ca 0.09 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 3hin s LYS 114 Cb -0.12 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 3hin s LYS 114 CO 0.01 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.50 3hin n GLY 115 N -0.16 2.02 3.71 0.59 0.00 -1.08 -1.33 105.19 108.94 3hin n GLY 115 Ca -0.12 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3hin n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hin s ALA 116 N -1.53 3.61 -0.47 4.61 0.00 -1.26 -0.98 121.76 125.74 3hin s ALA 116 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.11 3hin s ALA 116 Cb 0.00 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.73 3hin s ALA 116 CO 0.00 -0.76 0.43 0.28 0.00 0.00 0.00 175.76 175.71 3hin n VAL 117 N 4.21 -0.40 -4.22 0.00 0.31 -0.21 -1.27 118.33 116.75 3hin n VAL 117 Ca 0.13 -3.90 -0.19 0.00 -0.01 0.00 0.00 64.34 60.36 3hin n VAL 117 Cb 0.42 -1.83 -0.12 0.00 -0.91 0.00 0.00 33.84 31.40 3hin n VAL 117 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3hin s ILE 118 N -0.60 1.14 0.00 2.52 -4.36 -0.88 -3.31 121.20 115.71 3hin s ILE 118 Ca 0.32 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 3hin s ILE 118 Cb 0.06 -1.08 0.00 0.00 1.25 0.00 0.00 42.46 42.69 3hin s ILE 118 CO -0.17 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.46 3hin n GLY 119 N 1.42 2.92 0.42 6.27 0.00 0.45 -1.59 105.19 115.07 3hin n GLY 119 Ca -0.20 -0.28 0.24 0.00 0.00 0.00 0.00 46.02 45.78 3hin n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hin h GLY 120 N 0.00 1.05 1.13 -0.02 0.00 -1.89 0.31 103.07 103.65 3hin h GLY 120 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3hin h GLY 120 CO 0.00 -0.11 0.42 -1.33 0.00 0.00 0.00 176.54 175.51 3hin h GLY 121 N 0.35 1.21 1.10 4.60 0.00 -1.51 0.17 103.07 108.99 3hin h GLY 121 Ca 0.58 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3hin h GLY 121 CO -0.25 0.54 -0.16 -2.00 0.00 0.00 0.00 176.54 174.66 3hin h LEU 122 N 1.13 1.04 -0.68 3.11 5.85 -0.42 -1.63 115.31 123.71 3hin h LEU 122 Ca 0.28 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3hin h LEU 122 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3hin h LEU 122 CO -0.04 1.17 0.21 -0.33 -0.34 0.00 0.00 178.44 179.11 3hin h GLU 123 N 0.89 1.05 0.08 1.25 5.08 -0.71 0.39 114.58 122.61 3hin h GLU 123 Ca 0.13 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hin h GLU 123 Cb 0.74 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3hin h GLU 123 CO 0.06 0.91 -0.14 1.25 -1.00 0.00 0.00 179.01 180.09 3hin h LEU 124 N 0.99 -0.39 -1.20 1.33 5.85 -0.60 -1.82 115.31 119.47 3hin h LEU 124 Ca 0.22 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.06 3hin h LEU 124 Cb 0.30 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3hin h LEU 124 CO -0.01 -0.21 0.57 0.00 -0.34 0.00 0.00 178.44 178.45 3hin h ALA 125 N 0.60 1.58 -0.03 1.25 0.00 -0.41 -2.05 119.26 120.20 3hin h ALA 125 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hin h ALA 125 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hin h ALA 125 CO -0.08 0.27 -0.19 0.00 0.00 0.00 0.00 179.25 179.24 3hin h ALA 127 N 1.76 1.06 -2.41 0.00 0.00 -0.71 -3.45 119.26 115.52 3hin h ALA 127 Ca 0.01 -0.32 -0.52 0.00 0.00 0.00 0.00 54.91 54.08 3hin h ALA 127 Cb 0.37 -0.06 0.15 0.00 0.00 0.00 0.00 17.79 18.25 3hin h ALA 127 CO 0.03 0.44 0.32 0.00 0.00 0.00 0.00 179.25 180.04 3hin s ALA 128 N -3.73 2.05 0.01 0.00 0.00 -0.98 -3.39 121.76 115.72 3hin s ALA 128 Ca -0.01 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 52.40 3hin s ALA 128 Cb 0.12 -3.37 -0.31 0.00 0.00 0.00 0.00 23.12 19.55 3hin s ALA 128 CO 0.68 -1.98 0.90 0.45 0.00 0.00 0.00 175.76 175.81 3hin h HIS 129 N -0.95 0.70 -4.11 0.00 3.86 -1.46 -3.46 115.15 109.73 3hin h HIS 129 Ca -0.45 -0.51 -0.45 0.00 -1.16 0.00 0.00 60.37 57.80 3hin h HIS 129 Cb 1.26 -0.03 -0.27 0.00 1.06 0.00 0.00 27.41 29.43 3hin h HIS 129 CO 0.53 1.50 -0.80 0.42 0.86 0.00 0.00 177.93 180.44 3hin s ILE 130 N -2.61 1.03 -0.01 2.45 1.01 -1.00 -5.04 121.20 117.03 3hin s ILE 130 Ca -0.10 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.91 3hin s ILE 130 Cb 0.06 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 3hin s ILE 130 CO 0.89 0.18 -0.21 -0.13 0.00 0.00 0.00 174.94 175.67 3hin s ARG 131 N -0.60 1.67 -0.13 2.79 0.52 -1.26 -0.86 118.95 121.08 3hin s ARG 131 Ca 0.04 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 3hin s ARG 131 Cb -0.06 -1.63 0.01 0.00 0.52 0.00 0.00 34.95 33.79 3hin s ARG 131 CO 0.00 0.45 -0.21 0.08 0.02 0.00 0.00 175.30 175.64 3hin s VAL 132 N -0.51 1.94 -0.21 3.52 1.01 -0.16 -2.52 120.40 123.47 3hin s VAL 132 Ca 0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3hin s VAL 132 Cb -0.08 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3hin s VAL 132 CO -0.01 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.56 3hin s ALA 133 N 0.79 2.76 0.86 5.51 0.00 -0.51 0.12 121.76 131.29 3hin s ALA 133 Ca -0.08 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 3hin s ALA 133 Cb -0.16 -1.61 0.11 0.00 0.00 0.00 0.00 23.12 21.46 3hin s ALA 133 CO -0.01 -0.34 1.11 -1.21 0.00 0.00 0.00 175.76 175.31 3hin s GLU 134 N 1.33 1.53 0.50 0.00 2.02 -0.46 0.22 118.70 123.83 3hin s GLU 134 Ca 0.04 1.27 0.21 0.00 0.02 0.00 0.00 54.97 56.51 3hin s GLU 134 Cb -0.14 -1.81 1.27 0.00 0.10 0.00 0.00 34.13 33.56 3hin s GLU 134 CO -0.03 -2.19 2.01 0.00 0.02 0.00 0.00 175.26 175.08 3hin h ALA 135 N -1.53 2.29 0.00 5.21 0.00 -1.72 -2.17 119.26 121.34 3hin h ALA 135 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hin h ALA 135 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hin h ALA 135 CO 0.48 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 3hin n SER 136 N -4.43 0.00 -4.77 0.00 3.41 -1.26 -4.18 113.62 102.39 3hin n SER 136 Ca 0.08 0.44 -0.40 0.00 -0.26 0.00 0.00 58.87 58.72 3hin n SER 136 Cb 0.47 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 3hin n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hin s ALA 137 N -2.96 3.46 0.00 7.33 0.00 -0.82 -2.63 121.76 126.16 3hin s ALA 137 Ca 0.15 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 3hin s ALA 137 Cb 0.18 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 3hin s ALA 137 CO 0.50 -0.55 0.12 1.52 0.00 0.00 0.00 175.76 177.35 3hin s TYR 138 N -1.16 0.06 -0.03 0.00 -0.85 -0.15 -0.82 117.35 114.40 3hin s TYR 138 Ca 0.48 -0.15 0.06 0.00 -0.52 0.00 0.00 57.07 56.95 3hin s TYR 138 Cb -0.38 -0.06 -0.01 0.00 0.38 0.00 0.00 41.96 41.89 3hin s TYR 138 CO 0.50 -0.27 -0.22 0.71 -1.52 0.00 0.00 175.55 174.75 3hin s TYR 139 N -1.32 2.08 -0.02 -3.49 2.02 -0.03 -1.04 117.35 115.54 3hin s TYR 139 Ca -0.14 -0.48 -0.28 0.00 -0.37 0.00 0.00 57.07 55.80 3hin s TYR 139 Cb -0.08 -1.36 0.10 0.00 -0.40 0.00 0.00 41.96 40.22 3hin s TYR 139 CO 0.01 -0.10 0.82 0.00 -1.57 0.00 0.00 175.55 174.72 3hin s ALA 140 N -0.37 -1.80 -0.63 3.71 0.00 -1.21 -1.84 121.76 119.63 3hin s ALA 140 Ca 0.04 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.16 3hin s ALA 140 Cb -0.10 0.15 0.16 0.00 0.00 0.00 0.00 23.12 23.33 3hin s ALA 140 CO 0.01 -0.55 0.43 -0.51 0.00 0.00 0.00 175.76 175.13 3hin s LEU 141 N -1.95 4.25 0.00 0.00 1.43 -1.26 -0.41 118.68 120.74 3hin s LEU 141 Ca -0.01 -3.57 0.25 0.00 -1.03 0.00 0.00 54.13 49.77 3hin s LEU 141 Cb -0.01 -1.47 1.41 0.00 0.03 0.00 0.00 46.19 46.15 3hin s LEU 141 CO -0.03 -0.13 1.85 -0.81 0.23 0.00 0.00 176.35 177.46 3hin n PRO 142 N 2.33 0.62 -0.31 1.29 -0.04 -1.26 -4.11 135.00 133.51 3hin n PRO 142 Ca 0.18 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.63 3hin n PRO 142 Cb 0.36 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 3hin n PRO 142 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3hin h GLU 143 N 0.00 1.10 -0.86 0.54 9.09 -1.93 -2.33 114.58 120.18 3hin h GLU 143 Ca 0.00 -0.07 0.20 0.00 0.05 0.00 0.00 59.36 59.54 3hin h GLU 143 Cb 0.09 -0.25 -0.06 0.00 -1.65 0.00 0.00 28.75 26.89 3hin h GLU 143 CO 0.00 0.73 0.58 0.78 0.05 0.00 0.00 179.01 181.14 3hin h GLY 144 N 1.13 0.68 0.18 1.06 0.00 -1.67 0.39 103.07 104.84 3hin h GLY 144 Ca 0.31 -0.15 0.18 0.00 0.00 0.00 0.00 47.33 47.66 3hin h GLY 144 CO -0.07 0.00 0.61 0.23 0.00 0.00 0.00 176.54 177.32 3hin h SER 145 N 0.33 0.80 -0.34 0.19 0.87 -1.68 -2.07 113.55 111.66 3hin h SER 145 Ca 0.44 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 3hin h SER 145 Cb 1.19 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3hin h SER 145 CO -0.14 0.31 0.00 -1.14 -0.53 0.00 0.00 176.83 175.33 3hin n ARG 146 N -4.75 1.83 -1.11 2.24 0.63 0.13 -4.88 116.66 110.75 3hin n ARG 146 Ca 0.23 -1.23 -0.04 0.00 -0.92 0.00 0.00 57.85 55.89 3hin n ARG 146 Cb 0.53 -1.29 -0.02 0.00 0.45 0.00 0.00 32.46 32.14 3hin n ARG 146 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hin n GLY 147 N 1.01 0.68 3.16 5.14 0.00 -0.78 -5.05 105.19 109.35 3hin n GLY 147 Ca 0.11 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 3hin n GLY 147 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hin s ILE 148 N -2.12 1.10 0.72 -0.61 -4.36 -0.97 -4.98 121.20 109.99 3hin s ILE 148 Ca 0.00 -1.21 -0.07 0.00 -0.26 0.00 0.00 60.65 59.11 3hin s ILE 148 Cb 0.00 -1.04 0.08 0.00 1.25 0.00 0.00 42.46 42.75 3hin s ILE 148 CO 0.00 -0.16 1.03 0.12 0.24 0.00 0.00 174.94 176.17 3hin s PHE 149 N -1.15 2.68 0.40 1.37 5.36 -1.26 -2.74 117.98 122.63 3hin s PHE 149 Ca -0.01 0.35 -0.23 0.00 -0.96 0.00 0.00 56.93 56.07 3hin s PHE 149 Cb -0.09 -3.24 -0.10 0.00 -0.34 0.00 0.00 43.02 39.25 3hin s PHE 149 CO 0.02 -1.52 0.97 0.14 -1.46 0.00 0.00 175.22 173.36 3hin s VAL 150 N -3.27 4.20 -0.03 3.12 -7.23 -1.26 -4.96 120.40 110.97 3hin s VAL 150 Ca 0.62 1.55 0.05 0.00 -1.81 0.00 0.00 61.98 62.38 3hin s VAL 150 Cb -0.10 -3.73 0.07 0.00 0.56 0.00 0.00 36.38 33.18 3hin s VAL 150 CO 0.45 -0.12 0.93 0.61 -0.31 0.00 0.00 175.10 176.66 3hin n GLY 151 N -0.10 1.16 0.29 2.32 0.00 -1.26 -4.83 105.19 102.78 3hin n GLY 151 Ca 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.87 3hin n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hin n GLY 152 N -0.42 4.68 0.57 -0.02 0.00 -1.26 -4.69 105.19 104.05 3hin n GLY 152 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3hin n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hin n GLY 153 N -1.23 0.58 0.34 -0.02 0.00 -1.26 -4.74 105.19 98.85 3hin n GLY 153 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3hin n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hin h GLY 154 N 0.00 0.84 2.00 -0.02 0.00 -1.91 -0.50 103.07 103.48 3hin h GLY 154 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hin h GLY 154 CO 0.00 0.24 0.00 -1.14 0.00 0.00 0.00 176.54 175.64 3hin n SER 155 N -4.47 0.03 -0.14 0.19 3.41 -1.26 -1.57 113.62 109.82 3hin n SER 155 Ca 0.08 0.51 -0.28 0.00 -0.26 0.00 0.00 58.87 58.91 3hin n SER 155 Cb 0.15 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 3hin n SER 155 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3hin n VAL 156 N -1.53 1.53 0.12 -3.33 0.31 -0.31 -4.53 118.33 110.58 3hin n VAL 156 Ca 0.05 -0.41 -0.23 0.00 -0.01 0.00 0.00 64.34 63.73 3hin n VAL 156 Cb 0.23 -1.82 -0.15 0.00 -0.91 0.00 0.00 33.84 31.18 3hin n VAL 156 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hin h ARG 157 N -0.87 0.47 -0.14 5.55 3.08 -1.23 -3.35 114.38 117.88 3hin h ARG 157 Ca -0.69 -0.79 -0.05 0.00 0.07 0.00 0.00 59.98 58.51 3hin h ARG 157 Cb 1.65 0.30 -0.00 0.00 0.08 0.00 0.00 29.97 32.00 3hin h ARG 157 CO -0.38 1.37 -0.12 1.25 -1.07 0.00 0.00 179.97 181.02 3hin h LEU 158 N 0.13 0.34 -2.21 3.04 5.85 -1.51 -2.56 115.31 118.40 3hin h LEU 158 Ca -0.28 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.02 3hin h LEU 158 Cb 2.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 43.06 3hin h LEU 158 CO 0.23 0.74 0.18 -0.65 -0.34 0.00 0.00 178.44 178.60 3hin h PRO 159 N -0.05 0.00 0.00 5.25 0.11 -1.74 0.54 132.00 136.11 3hin h PRO 159 Ca 0.02 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 3hin h PRO 159 Cb 0.63 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3hin h PRO 159 CO 0.03 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 177.63 3hin h ARG 160 N 0.00 0.00 0.15 1.05 3.08 -1.59 0.18 114.38 117.26 3hin h ARG 160 Ca 0.08 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.80 3hin h ARG 160 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3hin h ARG 160 CO -0.00 0.19 -1.75 -0.07 -1.07 0.00 0.00 179.97 177.27 3hin h LEU 161 N 0.00 0.51 -0.31 3.04 3.38 0.10 -3.43 115.31 118.60 3hin h LEU 161 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3hin h LEU 161 Cb 0.66 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hin h LEU 161 CO 0.02 1.77 0.00 2.30 0.09 0.00 0.00 178.44 182.63 3hin n ILE 162 N -3.64 0.00 0.00 1.22 -5.35 -0.21 -4.42 119.36 106.95 3hin n ILE 162 Ca -0.27 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3hin n ILE 162 Cb 1.03 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 40.14 3hin n ILE 162 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hin n GLY 163 N 0.28 -1.30 0.27 3.28 0.00 0.64 -4.38 105.19 103.98 3hin n GLY 163 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3hin n GLY 163 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hin h VAL 164 N 0.00 1.26 -0.58 1.61 2.07 -1.92 -2.96 116.25 115.73 3hin h VAL 164 Ca 0.00 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.52 3hin h VAL 164 Cb 0.00 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3hin h VAL 164 CO 0.00 0.39 0.16 0.00 0.02 0.00 0.00 177.57 178.13 3hin h ALA 165 N 0.94 0.70 -0.05 1.67 0.00 -1.97 0.54 119.26 121.09 3hin h ALA 165 Ca 0.15 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3hin h ALA 165 Cb 0.53 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hin h ALA 165 CO 0.03 -0.27 -0.70 0.00 0.00 0.00 0.00 179.25 178.31 3hin h ARG 166 N 0.30 0.27 -0.16 0.00 3.08 -1.75 -2.39 114.38 113.73 3hin h ARG 166 Ca 0.30 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3hin h ARG 166 Cb 0.41 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3hin h ARG 166 CO -0.35 0.86 0.00 1.98 -1.07 0.00 0.00 179.97 181.39 3hin h MET 167 N 0.18 0.28 -0.54 0.04 4.05 -1.11 -1.75 114.93 116.09 3hin h MET 167 Ca -0.02 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3hin h MET 167 Cb 1.25 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 3hin h MET 167 CO 0.11 0.50 0.34 0.00 0.23 0.00 0.00 176.91 178.10 3hin h ALA 168 N 0.77 0.69 -0.36 0.39 0.00 0.07 -1.10 119.26 119.73 3hin h ALA 168 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hin h ALA 168 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hin h ALA 168 CO 0.01 0.08 0.21 0.22 0.00 0.00 0.00 179.25 179.77 3hin h ASP 169 N 0.69 0.44 -0.56 0.00 3.58 -1.39 0.25 116.42 119.42 3hin h ASP 169 Ca 0.21 -0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.67 3hin h ASP 169 Cb -0.03 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 40.84 3hin h ASP 169 CO -0.07 0.38 0.20 0.24 -2.88 0.00 0.00 179.24 177.11 3hin h MET 170 N 0.46 0.36 -0.37 0.28 2.86 -0.78 -1.69 114.93 116.04 3hin h MET 170 Ca 0.13 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3hin h MET 170 Cb 0.03 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3hin h MET 170 CO -0.02 0.24 -0.29 0.52 1.06 0.00 0.00 176.91 178.42 3hin h MET 171 N 0.37 0.84 0.00 1.72 2.86 -1.02 0.58 114.93 120.28 3hin h MET 171 Ca 0.28 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.40 3hin h MET 171 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3hin h MET 171 CO -0.29 1.06 -0.49 -0.07 1.06 0.00 0.00 176.91 178.17 3hin h LEU 172 N 0.64 0.00 0.00 1.22 3.38 -0.64 -3.38 115.31 116.54 3hin h LEU 172 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hin h LEU 172 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hin h LEU 172 CO 0.08 0.49 -0.38 0.35 0.09 0.00 0.00 178.44 179.07 3hin n THR 173 N -3.47 0.00 -1.53 0.22 -2.24 -0.66 -5.00 114.28 101.58 3hin n THR 173 Ca 0.00 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.44 3hin n THR 173 Cb 0.61 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 3hin n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hin n GLY 174 N 1.56 0.45 3.77 3.38 0.00 0.19 -4.99 105.19 109.55 3hin n GLY 174 Ca 0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 3hin n GLY 174 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hin s ARG 175 N -3.13 4.13 0.02 1.61 3.52 -1.17 -4.91 118.95 119.02 3hin s ARG 175 Ca 0.00 2.55 0.03 0.00 -0.13 0.00 0.00 55.73 58.18 3hin s ARG 175 Cb 0.00 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 3hin s ARG 175 CO 0.00 -0.54 -0.02 0.08 -0.81 0.00 0.00 175.30 174.01 3hin s VAL 176 N -0.80 3.97 -0.06 7.11 1.01 -1.26 -4.55 120.40 125.82 3hin s VAL 176 Ca 0.55 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3hin s VAL 176 Cb -0.46 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3hin s VAL 176 CO 0.58 0.32 -0.24 -0.31 0.00 0.00 0.00 175.10 175.45 3hin s TYR 177 N -1.11 2.47 0.98 5.22 2.02 -0.77 -4.96 117.35 121.20 3hin s TYR 177 Ca 0.20 -0.70 -0.14 0.00 -0.37 0.00 0.00 57.07 56.07 3hin s TYR 177 Cb -0.11 -1.61 0.18 0.00 -0.40 0.00 0.00 41.96 40.01 3hin s TYR 177 CO 0.11 -0.20 1.15 -1.54 -1.57 0.00 0.00 175.55 173.50 3hin s SER 178 N -0.16 2.91 0.17 2.29 1.04 -1.26 -0.85 113.70 117.83 3hin s SER 178 Ca -0.03 0.86 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 3hin s SER 178 Cb -0.14 -1.34 0.08 0.00 0.10 0.00 0.00 66.02 64.72 3hin s SER 178 CO 0.04 -2.92 1.83 0.00 0.98 0.00 0.00 173.24 173.17 3hin h ALA 179 N -1.75 0.65 0.51 5.32 0.00 -1.14 0.19 119.26 123.04 3hin h ALA 179 Ca -0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3hin h ALA 179 Cb 1.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hin h ALA 179 CO 0.54 0.05 -0.31 0.00 0.00 0.00 0.00 179.25 179.54 3hin h ALA 180 N 1.21 -0.77 -0.93 0.00 0.00 -1.87 -1.64 119.26 115.26 3hin h ALA 180 Ca 0.20 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.14 3hin h ALA 180 Cb -0.03 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 3hin h ALA 180 CO -0.07 -0.95 0.50 0.93 0.00 0.00 0.00 179.25 179.67 3hin h GLU 181 N -0.77 0.61 -0.22 0.00 5.08 -1.93 -3.16 114.58 114.19 3hin h GLU 181 Ca -0.06 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 3hin h GLU 181 Cb 0.63 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3hin h GLU 181 CO 0.06 0.40 -0.45 0.78 -1.00 0.00 0.00 179.01 178.81 3hin h GLY 182 N 0.63 0.60 2.00 -3.84 0.00 0.11 -1.89 103.07 100.68 3hin h GLY 182 Ca 0.54 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3hin h GLY 182 CO -0.41 0.56 -0.15 -0.24 0.00 0.00 0.00 176.54 176.30 3hin h VAL 183 N 0.44 0.93 0.16 4.60 3.04 -1.29 0.89 116.25 125.02 3hin h VAL 183 Ca 0.03 -0.56 -0.30 0.00 -1.01 0.00 0.00 66.70 64.86 3hin h VAL 183 Cb 0.96 1.32 0.03 0.00 -2.01 0.00 0.00 31.29 31.58 3hin h VAL 183 CO 0.09 0.15 -1.30 0.58 -1.01 0.00 0.00 177.57 176.08 3hin h VAL 184 N 0.00 1.34 0.00 1.51 2.07 -1.43 -3.31 116.25 116.43 3hin h VAL 184 Ca -0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 3hin h VAL 184 Cb 0.31 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3hin h VAL 184 CO 0.02 0.80 -0.32 1.41 0.02 0.00 0.00 177.57 179.50 3hin n HIS 185 N -3.71 0.30 0.00 1.57 8.25 -0.78 -4.93 115.22 115.92 3hin n HIS 185 Ca -0.13 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3hin n HIS 185 Cb 1.02 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3hin n HIS 185 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hin n GLY 186 N 1.43 1.26 0.23 -1.41 0.00 0.02 -4.29 105.19 102.42 3hin n GLY 186 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 3hin n GLY 186 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hin h PHE 187 N 0.00 0.60 -3.99 1.61 0.04 -1.20 -3.43 116.94 110.57 3hin h PHE 187 Ca 0.00 -0.16 -0.20 0.00 2.80 0.00 0.00 57.97 60.41 3hin h PHE 187 Cb 0.00 -0.13 -0.20 0.00 2.20 0.00 0.00 35.95 37.81 3hin h PHE 187 CO 0.00 0.80 -0.71 -1.54 -0.60 0.00 0.00 178.31 176.27 3hin s SER 188 N -6.84 0.48 0.31 2.17 1.04 -1.25 -4.83 113.70 104.78 3hin s SER 188 Ca -0.07 -0.59 0.23 0.00 0.48 0.00 0.00 55.95 56.00 3hin s SER 188 Cb 0.13 0.09 0.20 0.00 0.10 0.00 0.00 66.02 66.54 3hin s SER 188 CO 0.81 -0.31 1.34 1.56 0.98 0.00 0.00 173.24 177.62 3hin h GLN 189 N 4.38 0.00 -5.85 4.02 7.50 -1.80 -3.41 115.11 119.95 3hin h GLN 189 Ca -0.33 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.29 3hin h GLN 189 Cb 1.20 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 28.49 3hin h GLN 189 CO 0.44 0.00 -0.82 0.71 -1.50 0.00 0.00 178.83 177.67 3hin s TYR 190 N -3.27 1.61 -0.09 2.96 2.02 -1.05 -5.06 117.35 114.47 3hin s TYR 190 Ca 0.04 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3hin s TYR 190 Cb 0.08 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 3hin s TYR 190 CO 0.72 0.11 -0.23 -1.17 -1.57 0.00 0.00 175.55 173.42 3hin s LEU 191 N -1.43 2.03 -0.39 -1.29 2.96 -1.26 -1.42 118.68 117.87 3hin s LEU 191 Ca 0.05 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 3hin s LEU 191 Cb -0.09 -1.32 0.05 0.00 0.50 0.00 0.00 46.19 45.33 3hin s LEU 191 CO 0.02 0.16 0.22 -0.63 -1.32 0.00 0.00 176.35 174.80 3hin s ILE 192 N 0.31 4.36 0.13 6.68 -1.09 0.13 -4.93 121.20 126.79 3hin s ILE 192 Ca -0.16 -1.12 -0.03 0.00 -2.23 0.00 0.00 60.65 57.10 3hin s ILE 192 Cb -0.17 -3.54 -0.18 0.00 -1.58 0.00 0.00 42.46 36.99 3hin s ILE 192 CO 0.08 -0.35 1.32 -0.33 -1.23 0.00 0.00 174.94 174.42 3hin h GLU 193 N 8.41 0.38 -4.70 2.79 5.08 -1.94 -2.77 114.58 121.83 3hin h GLU 193 Ca -0.24 -0.41 -0.49 0.00 -1.00 0.00 0.00 59.36 57.22 3hin h GLU 193 Cb 1.09 0.12 -0.32 0.00 0.50 0.00 0.00 28.75 30.14 3hin h GLU 193 CO 0.70 1.08 -0.81 -0.80 -1.00 0.00 0.00 179.01 178.19 3hin s ASN 194 N -7.06 1.62 0.00 1.42 0.01 -1.26 -4.49 114.94 105.17 3hin s ASN 194 Ca -0.05 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3hin s ASN 194 Cb 0.09 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 41.17 3hin s ASN 194 CO 0.86 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 177.13 3hin n GLY 195 N 3.51 -1.47 3.29 0.66 0.00 -1.26 -5.02 105.19 104.90 3hin n GLY 195 Ca -0.20 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3hin n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hin s SER 196 N -4.00 3.41 0.34 1.61 1.04 -1.26 -4.81 113.70 110.03 3hin s SER 196 Ca 0.00 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.99 3hin s SER 196 Cb 0.00 -1.27 0.61 0.00 0.10 0.00 0.00 66.02 65.46 3hin s SER 196 CO 0.00 0.20 1.99 0.00 0.98 0.00 0.00 173.24 176.41 3hin h ALA 197 N 6.43 1.51 -0.10 5.32 0.00 -1.90 -1.46 119.26 129.06 3hin h ALA 197 Ca -0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hin h ALA 197 Cb 1.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3hin h ALA 197 CO 0.50 0.43 -0.04 -0.92 0.00 0.00 0.00 179.25 179.22 3hin h TYR 198 N 0.86 -0.09 -0.06 0.00 3.20 -1.92 0.50 116.97 119.45 3hin h TYR 198 Ca 0.23 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.13 3hin h TYR 198 Cb -0.06 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3hin h TYR 198 CO 0.00 -0.06 -0.05 -0.44 -1.64 0.00 0.00 178.16 175.96 3hin h ASP 199 N -0.02 -0.16 -0.48 -2.11 3.32 -1.88 0.21 116.42 115.30 3hin h ASP 199 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hin h ASP 199 Cb 0.10 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3hin h ASP 199 CO -0.12 -0.07 0.31 0.50 -1.72 0.00 0.00 179.24 178.14 3hin h LYS 200 N -0.06 0.64 -0.53 3.56 1.63 -0.80 -1.14 116.57 119.87 3hin h LYS 200 Ca 0.04 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3hin h LYS 200 Cb 0.13 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3hin h LYS 200 CO -0.10 0.43 0.14 0.00 -3.45 0.00 0.00 179.45 176.47 3hin h ALA 201 N 1.16 1.26 -0.17 5.00 0.00 0.55 0.26 119.26 127.32 3hin h ALA 201 Ca 0.17 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3hin h ALA 201 Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hin h ALA 201 CO -0.04 0.52 -0.63 1.25 0.00 0.00 0.00 179.25 180.36 3hin h LEU 202 N 0.77 0.68 -0.99 0.00 5.85 -0.14 0.44 115.31 121.92 3hin h LEU 202 Ca 0.17 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 3hin h LEU 202 Cb 0.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3hin h LEU 202 CO -0.00 1.14 -0.14 1.05 -0.34 0.00 0.00 178.44 180.15 3hin h GLU 203 N 0.44 0.57 -0.86 1.25 4.11 -0.08 -1.45 114.58 118.57 3hin h GLU 203 Ca -0.01 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.24 3hin h GLU 203 Cb 1.20 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3hin h GLU 203 CO 0.12 0.70 0.52 -0.07 0.07 0.00 0.00 179.01 180.35 3hin h LEU 204 N 0.52 1.03 -0.54 3.06 3.38 -0.76 -1.94 115.31 120.05 3hin h LEU 204 Ca 0.09 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3hin h LEU 204 Cb 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hin h LEU 204 CO 0.03 0.79 0.11 1.23 0.09 0.00 0.00 178.44 180.69 3hin h GLY 205 N 1.18 0.95 1.44 0.83 0.00 -0.52 -1.31 103.07 105.64 3hin h GLY 205 Ca 0.31 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3hin h GLY 205 CO -0.06 0.57 0.31 3.43 0.00 0.00 0.00 176.54 180.79 3hin h ASN 206 N 0.78 0.43 0.04 0.19 -0.26 -1.13 -1.40 115.58 114.23 3hin h ASN 206 Ca 0.17 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3hin h ASN 206 Cb 0.37 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3hin h ASN 206 CO 0.01 0.30 -0.02 -0.09 -1.06 0.00 0.00 177.43 176.56 3hin h ARG 207 N 0.50 -0.05 0.00 0.81 9.65 -0.59 -3.10 114.38 121.59 3hin h ARG 207 Ca 0.19 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3hin h ARG 207 Cb 0.12 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3hin h ARG 207 CO -0.05 0.52 -0.01 -0.39 2.80 0.00 0.00 179.97 182.85 3hin h VAL 208 N -0.68 0.73 -0.01 0.20 -1.51 -1.22 -1.45 116.25 112.31 3hin h VAL 208 Ca -0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 3hin h VAL 208 Cb 0.60 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3hin h VAL 208 CO 0.01 0.01 0.03 0.00 -1.23 0.00 0.00 177.57 176.39 3hin h ALA 209 N 1.99 1.24 0.00 5.19 0.00 -1.17 0.12 119.26 126.63 3hin h ALA 209 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hin h ALA 209 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hin h ALA 209 CO 0.00 -0.04 -0.26 1.04 0.00 0.00 0.00 179.25 179.99 3hin n GLN 210 N -3.36 0.28 -2.13 0.00 6.02 -0.55 -4.92 117.38 112.73 3hin n GLN 210 Ca -0.03 0.17 -0.36 0.00 -0.01 0.00 0.00 57.00 56.77 3hin n GLN 210 Cb 0.11 -1.77 0.01 0.00 1.02 0.00 0.00 30.24 29.62 3hin n GLN 210 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3hin s ASN 211 N -4.45 5.60 0.51 1.08 0.01 0.03 -5.02 114.94 112.70 3hin s ASN 211 Ca 0.09 2.33 -0.22 0.00 -0.71 0.00 0.00 52.86 54.35 3hin s ASN 211 Cb 0.13 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 3hin s ASN 211 CO 0.65 -1.31 1.23 0.00 -1.51 0.00 0.00 177.10 176.16 3hin s ALA 212 N -1.62 2.86 0.36 0.60 0.00 -1.26 -4.92 121.76 117.78 3hin s ALA 212 Ca 0.72 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.78 3hin s ALA 212 Cb -0.29 -3.45 0.70 0.00 0.00 0.00 0.00 23.12 20.09 3hin s ALA 212 CO 0.32 -0.95 2.01 -1.35 0.00 0.00 0.00 175.76 175.79 3hin h PRO 213 N 1.67 0.76 0.00 0.00 0.11 -1.98 0.03 132.00 132.58 3hin h PRO 213 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3hin h PRO 213 Cb 1.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hin h PRO 213 CO 0.58 0.50 0.00 1.25 -0.21 0.00 0.00 178.00 180.12 3hin h LEU 214 N 0.78 0.00 -0.01 2.35 5.85 -1.98 0.19 115.31 122.48 3hin h LEU 214 Ca 0.24 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hin h LEU 214 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hin h LEU 214 CO -0.06 0.00 -0.05 0.74 -0.34 0.00 0.00 178.44 178.73 3hin h THR 215 N 0.00 1.51 -0.66 1.05 2.02 -1.36 -1.76 112.91 113.71 3hin h THR 215 Ca 0.00 -1.58 0.10 0.00 0.77 0.00 0.00 66.41 65.70 3hin h THR 215 Cb 0.60 2.55 -0.07 0.00 -1.74 0.00 0.00 68.15 69.48 3hin h THR 215 CO 0.00 0.42 0.29 0.78 0.37 0.00 0.00 175.52 177.38 3hin h ASN 216 N -0.58 0.33 -0.01 4.18 2.35 -1.17 -0.92 115.58 119.75 3hin h ASN 216 Ca -0.00 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3hin h ASN 216 Cb 0.71 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 3hin h ASN 216 CO 0.01 0.19 -0.14 0.15 -1.65 0.00 0.00 177.43 175.99 3hin h PHE 217 N 0.49 -0.35 -0.61 1.19 3.57 -0.62 0.42 116.94 121.03 3hin h PHE 217 Ca 0.33 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3hin h PHE 217 Cb 0.40 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3hin h PHE 217 CO -0.14 -0.20 0.21 0.00 -2.23 0.00 0.00 178.31 175.94 3hin h ALA 218 N 0.74 0.80 -0.00 2.41 0.00 -0.82 -0.62 119.26 121.77 3hin h ALA 218 Ca 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3hin h ALA 218 Cb 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hin h ALA 218 CO -0.15 0.45 -0.30 0.28 0.00 0.00 0.00 179.25 179.53 3hin h VAL 219 N 0.86 1.53 -0.07 0.00 2.07 -1.12 0.76 116.25 120.29 3hin h VAL 219 Ca 0.20 -1.97 -0.22 0.00 0.82 0.00 0.00 66.70 65.52 3hin h VAL 219 Cb 0.26 2.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3hin h VAL 219 CO -0.01 0.55 -0.85 -0.07 0.02 0.00 0.00 177.57 177.20 3hin h LEU 220 N -0.45 0.70 0.00 2.57 3.38 -0.88 -3.32 115.31 117.32 3hin h LEU 220 Ca -0.04 -0.50 -0.30 0.00 0.09 0.00 0.00 57.88 57.13 3hin h LEU 220 Cb 1.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3hin h LEU 220 CO 0.06 1.28 -2.01 0.00 0.09 0.00 0.00 178.44 177.86 3hin n GLN 221 N -3.84 0.39 -0.01 1.13 1.13 -0.26 -4.63 117.38 111.29 3hin n GLN 221 Ca -0.07 0.16 -0.17 0.00 -1.94 0.00 0.00 57.00 54.99 3hin n GLN 221 Cb 0.78 -1.17 -0.12 0.00 0.11 0.00 0.00 30.24 29.84 3hin n GLN 221 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hin h ALA 222 N -0.56 0.01 -0.31 -1.58 0.00 -1.19 -3.30 119.26 112.32 3hin h ALA 222 Ca -0.45 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 53.98 3hin h ALA 222 Cb 1.43 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 3hin h ALA 222 CO -0.25 0.19 -0.34 1.25 0.00 0.00 0.00 179.25 180.10 3hin h LEU 223 N -0.47 -1.12 -0.81 0.00 5.85 0.42 0.10 115.31 119.29 3hin h LEU 223 Ca -0.06 0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.99 3hin h LEU 223 Cb 1.21 0.50 -0.10 0.00 0.37 0.00 0.00 40.66 42.64 3hin h LEU 223 CO 0.08 -0.34 0.37 -0.65 -0.34 0.00 0.00 178.44 177.55 3hin h PRO 224 N -0.32 0.50 -0.27 5.25 0.11 -1.75 -0.14 132.00 135.38 3hin h PRO 224 Ca 0.14 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3hin h PRO 224 Cb 0.55 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3hin h PRO 224 CO -0.48 0.33 -0.01 0.52 -0.21 0.00 0.00 178.00 178.15 3hin h MET 225 N 0.51 0.49 -0.60 1.05 2.86 -1.30 -2.50 114.93 115.45 3hin h MET 225 Ca 0.45 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.95 3hin h MET 225 Cb 0.69 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3hin h MET 225 CO -0.40 0.65 0.37 0.82 1.06 0.00 0.00 176.91 179.41 3hin h ILE 226 N 0.27 1.09 0.00 -1.22 2.04 -0.30 -1.68 117.51 117.71 3hin h ILE 226 Ca 0.08 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 3hin h ILE 226 Cb 0.44 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3hin h ILE 226 CO 0.02 0.14 -0.29 0.00 0.00 0.00 0.00 178.15 178.01 3hin h ALA 227 N 1.25 1.37 -0.01 1.87 0.00 -0.77 -2.33 119.26 120.64 3hin h ALA 227 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hin h ALA 227 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hin h ALA 227 CO -0.08 0.36 -0.66 0.39 0.00 0.00 0.00 179.25 179.26 3hin n GLU 228 N -3.97 0.49 -1.08 0.00 1.02 -0.97 -4.91 120.64 111.23 3hin n GLU 228 Ca -0.02 -0.38 -0.31 0.00 -0.02 0.00 0.00 57.16 56.44 3hin n GLU 228 Cb 0.36 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.40 3hin n GLU 228 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hin s ALA 229 N -2.77 1.92 0.55 0.62 0.00 -0.64 -4.98 121.76 116.45 3hin s ALA 229 Ca 0.14 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 3hin s ALA 229 Cb 0.17 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 3hin s ALA 229 CO 0.70 -2.15 1.32 0.27 0.00 0.00 0.00 175.76 175.90 3hin n ASN 230 N -3.79 2.49 -0.10 0.00 0.23 -1.26 -4.69 115.26 108.14 3hin n ASN 230 Ca 0.10 0.96 -0.06 0.00 -0.53 0.00 0.00 54.58 55.05 3hin n ASN 230 Cb 0.53 -1.56 0.01 0.00 -2.08 0.00 0.00 39.78 36.69 3hin n ASN 230 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3hin h PRO 231 N 1.34 0.15 -1.00 -0.53 0.11 -1.93 -0.40 132.00 129.74 3hin h PRO 231 Ca -0.50 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3hin h PRO 231 Cb 1.31 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3hin h PRO 231 CO 0.56 0.10 0.65 0.37 -0.21 0.00 0.00 178.00 179.47 3hin h GLN 232 N 0.15 1.21 -0.27 1.05 4.15 -1.99 -0.27 115.11 119.13 3hin h GLN 232 Ca 0.16 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 3hin h GLN 232 Cb 0.20 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 3hin h GLN 232 CO -0.24 0.80 -0.31 1.15 -1.93 0.00 0.00 178.83 178.30 3hin h THR 233 N 1.24 1.31 -0.15 2.39 2.02 -1.75 -2.51 112.91 115.46 3hin h THR 233 Ca 0.41 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 3hin h THR 233 Cb 0.05 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3hin h THR 233 CO -0.14 0.47 -0.20 1.23 0.37 0.00 0.00 175.52 177.26 3hin h GLY 234 N 0.42 0.27 0.66 2.16 0.00 -0.54 -1.95 103.07 104.09 3hin h GLY 234 Ca 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3hin h GLY 234 CO 0.08 0.18 -0.17 1.41 0.00 0.00 0.00 176.54 178.03 3hin h LEU 235 N 0.24 0.31 -1.04 3.11 4.07 -0.93 0.19 115.31 121.26 3hin h LEU 235 Ca 0.04 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 3hin h LEU 235 Cb 0.50 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 3hin h LEU 235 CO 0.03 0.80 0.51 0.25 -1.08 0.00 0.00 178.44 178.95 3hin h LEU 236 N -0.17 1.04 -0.91 1.67 5.85 -1.24 -1.81 115.31 119.73 3hin h LEU 236 Ca 0.01 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hin h LEU 236 Cb 0.74 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3hin h LEU 236 CO 0.04 0.80 0.30 -0.03 -0.34 0.00 0.00 178.44 179.22 3hin h MET 237 N 1.19 1.09 -0.19 1.25 4.05 -1.08 -0.40 114.93 120.84 3hin h MET 237 Ca 0.31 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3hin h MET 237 Cb -0.03 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 3hin h MET 237 CO -0.06 0.88 0.11 1.49 0.23 0.00 0.00 176.91 179.57 3hin h GLU 238 N 1.07 0.26 -1.00 0.39 4.81 -0.19 0.10 114.58 120.03 3hin h GLU 238 Ca 0.25 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3hin h GLU 238 Cb 0.19 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 3hin h GLU 238 CO -0.02 0.23 0.66 0.77 -0.73 0.00 0.00 179.01 179.92 3hin h SER 239 N 0.22 1.11 -0.06 1.04 0.02 -0.52 0.30 113.55 115.67 3hin h SER 239 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3hin h SER 239 Cb 0.04 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 3hin h SER 239 CO -0.01 0.76 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.36 3hin h LEU 240 N 1.28 0.11 -1.51 5.07 3.38 -0.75 -1.87 115.31 121.03 3hin h LEU 240 Ca 0.40 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3hin h LEU 240 Cb -0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3hin h LEU 240 CO -0.12 0.46 0.43 -0.03 0.09 0.00 0.00 178.44 179.27 3hin h MET 241 N -0.24 0.57 -0.31 1.13 4.05 -0.39 -2.74 114.93 117.00 3hin h MET 241 Ca 0.01 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 3hin h MET 241 Cb 0.41 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 3hin h MET 241 CO 0.01 0.37 -0.34 0.00 0.23 0.00 0.00 176.91 177.18 3hin h ALA 242 N 1.66 0.46 -0.08 0.39 0.00 -0.16 -1.41 119.26 120.12 3hin h ALA 242 Ca 0.29 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3hin h ALA 242 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hin h ALA 242 CO -0.09 0.52 -0.63 0.00 0.00 0.00 0.00 179.25 179.05 3hin h THR 243 N 0.55 1.38 -0.06 0.00 1.03 -1.16 -0.74 112.91 113.92 3hin h THR 243 Ca 0.05 -2.02 -0.02 0.00 -0.01 0.00 0.00 66.41 64.41 3hin h THR 243 Cb 0.92 2.02 -0.00 0.00 -1.07 0.00 0.00 68.15 70.01 3hin h THR 243 CO 0.08 0.60 -0.05 0.58 -0.01 0.00 0.00 175.52 176.72 3hin h VAL 244 N 0.22 1.37 -0.30 0.00 2.07 -1.41 -0.43 116.25 117.77 3hin h VAL 244 Ca -0.01 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.36 3hin h VAL 244 Cb 1.16 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 3hin h VAL 244 CO 0.10 0.32 0.09 0.00 0.02 0.00 0.00 177.57 178.11 3hin h ALA 245 N 0.56 0.33 0.00 1.67 0.00 -1.12 -2.18 119.26 118.52 3hin h ALA 245 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hin h ALA 245 Cb 0.55 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hin h ALA 245 CO 0.01 -0.31 -0.06 -0.56 0.00 0.00 0.00 179.25 178.33 3hin h GLN 246 N 0.22 0.00 -0.14 0.00 -0.00 -1.07 -2.71 115.11 111.41 3hin h GLN 246 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 3hin h GLN 246 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 3hin h GLN 246 CO -0.15 0.06 0.00 -1.13 -0.00 0.00 0.00 178.83 177.62 3hin n SER 247 N -3.16 2.49 -4.78 0.06 3.41 -0.18 -4.65 113.62 106.82 3hin n SER 247 Ca 0.01 -1.82 -0.37 0.00 -0.26 0.00 0.00 58.87 56.43 3hin n SER 247 Cb 0.41 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 3hin n SER 247 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hin s ASP 248 N -1.79 7.06 0.25 4.04 2.15 -1.02 -4.92 116.67 122.43 3hin s ASP 248 Ca 0.34 2.01 -0.04 0.00 0.43 0.00 0.00 52.55 55.29 3hin s ASP 248 Cb 0.20 -2.59 0.36 0.00 -0.30 0.00 0.00 42.92 40.59 3hin s ASP 248 CO 0.30 -0.27 1.86 -0.61 -0.17 0.00 0.00 175.17 176.28 3hin h GLN 249 N 3.00 1.01 -0.81 4.34 5.75 -1.91 -0.40 115.11 126.09 3hin h GLN 249 Ca -0.47 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.02 3hin h GLN 249 Cb 1.21 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 29.47 3hin h GLN 249 CO 0.64 0.67 0.50 1.49 -2.65 0.00 0.00 178.83 179.48 3hin h GLU 250 N 1.04 0.91 -0.88 1.69 4.57 -1.94 -1.15 114.58 118.83 3hin h GLU 250 Ca 0.40 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 3hin h GLU 250 Cb 0.18 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 3hin h GLU 250 CO -0.17 0.60 0.47 0.00 -1.18 0.00 0.00 179.01 178.73 3hin h ALA 251 N 1.37 1.13 -0.07 2.92 0.00 -1.35 -2.55 119.26 120.71 3hin h ALA 251 Ca 0.34 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3hin h ALA 251 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hin h ALA 251 CO -0.15 0.65 -0.57 0.87 0.00 0.00 0.00 179.25 180.05 3hin h LYS 252 N 1.24 0.21 -0.17 0.00 1.57 -0.91 -1.51 116.57 116.99 3hin h LYS 252 Ca 0.31 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3hin h LYS 252 Cb 0.05 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hin h LYS 252 CO -0.05 0.72 -0.04 1.15 -0.57 0.00 0.00 179.45 180.66 3hin h THR 253 N 0.16 1.28 -0.54 -0.16 2.02 -1.17 -0.33 112.91 114.18 3hin h THR 253 Ca -0.00 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3hin h THR 253 Cb 1.04 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3hin h THR 253 CO 0.09 0.29 0.23 0.03 0.37 0.00 0.00 175.52 176.53 3hin h ARG 254 N 0.03 0.80 -0.30 6.66 3.08 -1.32 -1.58 114.38 121.76 3hin h ARG 254 Ca 0.04 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3hin h ARG 254 Cb 0.47 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3hin h ARG 254 CO 0.02 0.68 -0.06 0.82 -1.07 0.00 0.00 179.97 180.36 3hin h ILE 255 N 0.73 1.21 0.58 2.04 5.03 -1.18 -0.50 117.51 125.41 3hin h ILE 255 Ca 0.18 -0.87 -0.03 0.00 -0.12 0.00 0.00 64.86 64.02 3hin h ILE 255 Cb 0.18 1.05 0.01 0.00 -3.03 0.00 0.00 36.82 35.02 3hin h ILE 255 CO -0.02 0.29 -0.28 0.03 -0.68 0.00 0.00 178.15 177.49 3hin h ARG 256 N 0.45 -0.75 -0.55 2.37 3.08 -0.75 -2.46 114.38 115.76 3hin h ARG 256 Ca 0.09 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hin h ARG 256 Cb 0.40 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3hin h ARG 256 CO 0.02 -0.50 0.34 0.00 -1.07 0.00 0.00 179.97 178.76 3hin h ALA 257 N -0.35 1.56 -0.44 0.04 0.00 -1.17 -1.10 119.26 117.81 3hin h ALA 257 Ca -0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3hin h ALA 257 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hin h ALA 257 CO 0.13 0.39 -0.02 0.35 0.00 0.00 0.00 179.25 180.10 3hin h PHE 258 N 0.75 0.86 0.00 0.00 3.04 -1.07 -2.83 116.94 117.69 3hin h PHE 258 Ca 0.20 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3hin h PHE 258 Cb -0.05 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.24 3hin h PHE 258 CO 0.00 0.85 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.99 3hin h LEU 259 N 0.62 0.00 0.00 0.59 4.07 -1.22 -3.18 115.31 116.20 3hin h LEU 259 Ca 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 3hin h LEU 259 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 3hin h LEU 259 CO 0.03 0.01 -0.76 0.44 -1.08 0.00 0.00 178.44 177.08 3hin h ASP 260 N 0.00 0.00 0.52 -0.43 3.32 -1.18 -3.15 116.42 115.50 3hin h ASP 260 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 3hin h ASP 260 Cb 0.75 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3hin h ASP 260 CO 0.00 0.16 -1.58 -0.74 -1.72 0.00 0.00 179.24 175.35 3hin h HIS 261 N 0.00 0.16 -0.05 4.55 2.76 -1.53 -2.20 115.15 118.84 3hin h HIS 261 Ca -0.03 -0.12 -0.15 0.00 -2.20 0.00 0.00 60.37 57.87 3hin h HIS 261 Cb 1.14 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 3hin h HIS 261 CO 0.00 1.18 -0.64 -0.22 -1.30 0.00 0.00 177.93 176.95 3hin h LYS 262 N 0.02 0.20 0.00 5.26 3.64 -1.69 -2.06 116.57 121.95 3hin h LYS 262 Ca -0.25 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3hin h LYS 262 Cb 1.98 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 3hin h LYS 262 CO 0.11 0.77 -0.15 2.41 -2.27 0.00 0.00 179.45 180.32 3hin n THR 263 N -3.83 0.43 0.05 1.00 -1.04 -1.19 -1.31 114.28 108.38 3hin n THR 263 Ca -0.02 -0.23 -0.20 0.00 -2.04 0.00 0.00 64.05 61.57 3hin n THR 263 Cb 0.64 -0.44 -0.10 0.00 -1.82 0.00 0.00 70.33 68.61 3hin n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hin h ALA 264 N 2.62 0.14 0.28 2.41 0.00 -1.33 -3.40 119.26 119.98 3hin h ALA 264 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 3hin h ALA 264 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hin h ALA 264 CO 0.00 0.70 -0.13 0.87 0.00 0.00 0.00 179.25 180.69 3hin h LYS 265 N 0.37 -0.36 0.00 0.00 1.79 -1.17 -3.51 116.57 113.69 3hin h LYS 265 Ca -0.13 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3hin h LYS 265 Cb 1.71 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 3hin h LYS 265 CO 0.20 -0.24 0.00 0.28 -1.08 0.00 0.00 179.45 178.61