#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hin s ILE 12 N 0.00 4.77 0.16 12.58 -4.36 -1.26 -5.05 121.20 128.04 3hin s ILE 12 Ca 0.00 -0.04 -0.34 0.00 -0.26 0.00 0.00 60.65 60.01 3hin s ILE 12 Cb 0.00 -3.13 -0.15 0.00 1.25 0.00 0.00 42.46 40.42 3hin s ILE 12 CO 0.00 0.48 1.32 0.00 0.24 0.00 0.00 174.94 176.98 3hin n ALA 13 N 3.32 -0.14 -3.64 2.27 0.00 -1.26 -4.52 120.51 116.55 3hin n ALA 13 Ca -0.17 0.46 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 3hin n ALA 13 Cb 0.52 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 3hin n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hin s ASP 14 N 0.31 5.54 0.59 0.00 2.15 -1.01 -4.87 116.67 119.38 3hin s ASP 14 Ca 0.76 -2.62 0.29 0.00 0.43 0.00 0.00 52.55 51.41 3hin s ASP 14 Cb -0.81 -1.93 1.80 0.00 -0.30 0.00 0.00 42.92 41.68 3hin s ASP 14 CO 0.48 -0.46 2.25 -0.65 -0.17 0.00 0.00 175.17 176.62 3hin h PRO 15 N 7.44 0.00 0.00 4.34 0.11 -1.92 -2.60 132.00 139.38 3hin h PRO 15 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hin h PRO 15 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hin h PRO 15 CO 0.74 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 3hin n SER 16 N -3.87 0.61 -0.77 -2.05 3.41 -1.26 -2.20 113.62 107.49 3hin n SER 16 Ca -0.03 0.76 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 3hin n SER 16 Cb 0.08 -0.85 0.29 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.29 0.06 -4.27 6.66 -2.24 -0.98 -4.85 114.28 106.37 3hin n THR 17 Ca -0.01 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.14 3hin n THR 17 Cb 0.07 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.93 2.36 -0.26 3.22 1.43 -0.93 -0.05 118.68 122.52 3hin s LEU 18 Ca 0.33 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3hin s LEU 18 Cb 0.20 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.72 3hin s LEU 18 CO 0.31 -0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 176.11 3hin s VAL 19 N -1.64 2.80 -0.12 -1.59 1.01 0.66 -4.87 120.40 116.65 3hin s VAL 19 Ca 0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 3hin s VAL 19 Cb -0.08 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3hin s VAL 19 CO 0.04 0.11 -0.07 -0.69 0.00 0.00 0.00 175.10 174.49 3hin s VAL 20 N 1.28 3.59 0.18 2.92 1.01 -1.26 -0.30 120.40 127.82 3hin s VAL 20 Ca -0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 3hin s VAL 20 Cb -0.18 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3hin s VAL 20 CO -0.04 0.53 0.30 -0.62 0.00 0.00 0.00 175.10 175.27 3hin s ASP 21 N 0.02 0.03 -0.12 3.32 -1.08 -0.26 -4.99 116.67 113.59 3hin s ASP 21 Ca -0.01 -0.94 0.02 0.00 -0.52 0.00 0.00 52.55 51.09 3hin s ASP 21 Cb -0.14 0.45 0.02 0.00 -1.46 0.00 0.00 42.92 41.79 3hin s ASP 21 CO 0.03 -0.93 -0.16 -0.89 0.52 0.00 0.00 175.17 173.75 3hin s THR 22 N -4.00 1.58 -0.33 1.71 2.01 -1.26 0.03 115.64 115.39 3hin s THR 22 Ca 0.20 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.56 3hin s THR 22 Cb 0.03 -1.44 0.10 0.00 0.01 0.00 0.00 72.50 71.19 3hin s THR 22 CO 0.03 0.46 0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 3hin s VAL 23 N 1.05 2.18 0.00 3.82 1.01 0.13 -4.98 120.40 123.60 3hin s VAL 23 Ca -0.05 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.70 3hin s VAL 23 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3hin s VAL 23 CO -0.03 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.12 3hin n GLY 24 N 4.30 3.62 0.86 4.51 0.00 -1.26 -1.91 105.19 115.32 3hin n GLY 24 Ca 0.02 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 2.11 -3.55 1.61 -0.04 -1.26 -4.84 135.00 143.02 3hin n PRO 25 Ca 0.00 -1.69 -0.38 0.00 -0.04 0.00 0.00 63.50 61.39 3hin n PRO 25 Cb 0.00 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.53 5.28 -0.10 0.52 1.01 -0.80 0.54 120.40 125.32 3hin s VAL 26 Ca 0.34 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 3hin s VAL 26 Cb 0.19 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3hin s VAL 26 CO 0.26 0.25 1.00 -0.22 0.00 0.00 0.00 175.10 176.39 3hin s LEU 27 N 1.63 4.25 -0.02 3.92 2.96 0.92 -0.70 118.68 131.64 3hin s LEU 27 Ca 0.10 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 55.59 3hin s LEU 27 Cb -0.15 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3hin s LEU 27 CO 0.09 -0.43 -0.18 0.42 -1.32 0.00 0.00 176.35 174.93 3hin s THR 28 N 1.96 2.79 -0.27 3.68 -4.23 0.11 -0.69 115.64 118.98 3hin s THR 28 Ca 0.48 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3hin s THR 28 Cb -0.18 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.65 3hin s THR 28 CO 0.18 0.52 0.08 -0.63 -0.54 0.00 0.00 174.62 174.23 3hin s ILE 29 N -0.76 0.71 -0.23 2.99 1.01 0.30 -1.10 121.20 124.12 3hin s ILE 29 Ca 0.12 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 3hin s ILE 29 Cb -0.10 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3hin s ILE 29 CO 0.01 -0.53 0.51 -0.83 0.00 0.00 0.00 174.94 174.10 3hin s GLY 30 N 1.72 1.97 0.05 6.18 0.00 0.58 -1.08 107.32 116.75 3hin s GLY 30 Ca 0.06 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 3hin s GLY 30 CO -0.21 1.13 1.62 1.08 0.00 0.00 0.00 173.10 176.72 3hin s LEU 31 N 1.90 4.35 -0.52 0.66 1.43 0.51 -0.25 118.68 126.77 3hin s LEU 31 Ca 0.22 2.41 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 3hin s LEU 31 Cb -0.15 -3.56 0.33 0.00 0.03 0.00 0.00 46.19 42.84 3hin s LEU 31 CO 0.09 -0.87 0.86 -3.20 0.23 0.00 0.00 176.35 173.46 3hin n ASN 32 N 5.75 3.26 -2.88 2.29 5.15 0.93 -1.05 115.26 128.71 3hin n ASN 32 Ca 0.16 -3.45 -0.17 0.00 -0.60 0.00 0.00 54.58 50.52 3hin n ASN 32 Cb 0.41 -0.59 -0.01 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 0.02 1.66 0.29 1.20 1.74 -1.26 -4.54 116.66 115.76 3hin n ARG 33 Ca 0.29 -3.68 0.16 0.00 -0.77 0.00 0.00 57.85 53.85 3hin n ARG 33 Cb 0.47 -1.68 0.90 0.00 -1.02 0.00 0.00 32.46 31.12 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 2.94 0.00 0.00 5.56 0.13 -1.86 0.15 132.00 138.92 3hin h PRO 34 Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 3hin h PRO 34 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 3hin h PRO 34 CO 0.59 0.05 -0.15 0.87 -0.23 0.00 0.00 178.00 179.12 3hin h LYS 35 N 0.00 0.00 -0.30 0.86 1.79 -1.94 -1.31 116.57 115.67 3hin h LYS 35 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 3hin h LYS 35 Cb 0.16 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 3hin h LYS 35 CO 0.01 0.15 -0.01 1.63 -1.08 0.00 0.00 179.45 180.15 3hin n LYS 36 N -3.51 2.46 -3.87 3.15 4.76 -0.22 -4.95 118.16 115.98 3hin n LYS 36 Ca -0.01 -2.95 -0.27 0.00 -2.87 0.00 0.00 58.31 52.20 3hin n LYS 36 Cb 0.30 -1.83 0.02 0.00 -1.84 0.00 0.00 35.03 31.68 3hin n LYS 36 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hin n ARG 37 N -0.78 -5.03 -3.62 1.97 1.74 -0.49 -1.79 116.66 108.65 3hin n ARG 37 Ca 0.26 0.58 -0.27 0.00 -0.77 0.00 0.00 57.85 57.65 3hin n ARG 37 Cb 0.95 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 27.10 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 -2.91 -4.19 -4.68 0.55 3.02 0.36 -1.84 115.26 105.57 3hin n ASN 38 Ca -0.09 -0.59 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 3hin n ASN 38 Cb 0.58 -3.41 -0.01 0.00 -0.61 0.00 0.00 39.78 36.33 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 -3.99 1.12 -2.63 5.41 0.00 -0.74 -4.21 120.51 115.48 3hin n ALA 39 Ca 0.01 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 3hin n ALA 39 Cb 0.53 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 -0.73 4.03 0.00 0.00 1.43 0.10 -4.76 118.68 118.75 3hin s LEU 40 Ca 0.57 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 3hin s LEU 40 Cb -0.59 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.33 3hin s LEU 40 CO 0.60 -0.71 0.17 -0.46 0.23 0.00 0.00 176.35 176.18 3hin n ASN 41 N 6.45 2.81 -0.25 2.29 0.23 -1.26 -2.98 115.26 122.55 3hin n ASN 41 Ca 0.08 -2.70 -0.08 0.00 -0.53 0.00 0.00 54.58 51.35 3hin n ASN 41 Cb 0.47 0.13 0.04 0.00 -2.08 0.00 0.00 39.78 38.35 3hin n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3hin h ASP 42 N 0.78 1.09 0.14 0.53 3.32 -1.97 -2.02 116.42 118.28 3hin h ASP 42 Ca -0.32 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.50 3hin h ASP 42 Cb 1.05 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 3hin h ASP 42 CO 0.52 1.05 -0.31 1.23 -1.72 0.00 0.00 179.24 180.00 3hin h GLY 43 N 1.07 -0.61 -0.22 2.75 0.00 -1.94 0.28 103.07 104.40 3hin h GLY 43 Ca 0.22 0.37 0.08 0.00 0.00 0.00 0.00 47.33 48.00 3hin h GLY 43 CO 0.01 -0.25 -0.34 -2.00 0.00 0.00 0.00 176.54 173.96 3hin h LEU 44 N -0.55 -1.15 -1.14 3.11 6.46 -1.74 -1.56 115.31 118.74 3hin h LEU 44 Ca 0.03 0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 3hin h LEU 44 Cb 0.57 0.53 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3hin h LEU 44 CO -0.17 -0.33 -0.01 0.24 -0.62 0.00 0.00 178.44 177.55 3hin h MET 45 N -0.25 0.58 -0.24 1.25 2.86 -0.84 0.92 114.93 119.20 3hin h MET 45 Ca 0.18 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 3hin h MET 45 Cb 0.55 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3hin h MET 45 CO -0.56 0.61 -0.57 0.00 1.06 0.00 0.00 176.91 177.45 3hin h ALA 46 N 1.44 0.53 -0.60 6.32 0.00 -0.69 -0.87 119.26 125.38 3hin h ALA 46 Ca 0.12 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3hin h ALA 46 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hin h ALA 46 CO 0.01 0.69 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 3hin h ALA 47 N 0.77 0.83 -0.29 0.00 0.00 -0.72 -1.36 119.26 118.49 3hin h ALA 47 Ca 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3hin h ALA 47 Cb 1.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3hin h ALA 47 CO 0.12 0.67 0.07 1.25 0.00 0.00 0.00 179.25 181.36 3hin h LEU 48 N 0.98 0.44 -0.79 0.00 5.85 -0.71 -1.32 115.31 119.76 3hin h LEU 48 Ca 0.17 -0.24 0.13 0.00 0.84 0.00 0.00 57.88 58.78 3hin h LEU 48 Cb 0.58 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 3hin h LEU 48 CO 0.03 0.56 0.38 0.50 -0.34 0.00 0.00 178.44 179.58 3hin h LYS 49 N 0.30 0.56 -0.15 1.25 3.64 -1.00 -2.11 116.57 119.07 3hin h LYS 49 Ca 0.09 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3hin h LYS 49 Cb 0.30 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3hin h LYS 49 CO 0.00 0.37 0.05 -0.44 -2.27 0.00 0.00 179.45 177.17 3hin h ASP 50 N 0.58 0.06 0.02 4.20 3.32 -0.72 -2.72 116.42 121.17 3hin h ASP 50 Ca 0.42 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 3hin h ASP 50 Cb 0.55 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3hin h ASP 50 CO -0.34 0.06 -0.01 0.00 -1.72 0.00 0.00 179.24 177.22 3hin n LEU 52 N -4.31 1.63 -4.73 0.00 4.77 -0.83 -4.66 117.00 108.87 3hin n LEU 52 Ca -0.03 -0.73 -0.35 0.00 -0.03 0.00 0.00 56.01 54.87 3hin n LEU 52 Cb 0.10 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 3hin n LEU 52 CO 0.32 0.36 -0.25 -0.89 -1.33 0.00 0.00 177.39 175.60 3hin s THR 53 N -1.72 4.80 -1.21 -5.08 2.01 -0.62 -4.51 115.64 109.30 3hin s THR 53 Ca 0.29 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 3hin s THR 53 Cb 0.15 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 3hin s THR 53 CO 0.23 0.58 0.70 0.47 -0.69 0.00 0.00 174.62 175.90 3hin n ASP 54 N 2.41 -3.97 -4.71 3.53 10.43 -1.26 -4.84 116.55 118.14 3hin n ASP 54 Ca -0.19 -1.04 -0.42 0.00 2.57 0.00 0.00 54.79 55.72 3hin n ASP 54 Cb 0.54 -3.16 -0.03 0.00 1.84 0.00 0.00 41.12 40.31 3hin n ASP 54 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hin s ILE 55 N -3.59 2.81 0.54 0.53 1.01 -1.26 -4.95 121.20 116.29 3hin s ILE 55 Ca 0.36 0.55 -0.19 0.00 0.00 0.00 0.00 60.65 61.37 3hin s ILE 55 Cb -0.14 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 3hin s ILE 55 CO 0.88 0.04 0.58 -2.65 0.00 0.00 0.00 174.94 173.79 3hin n PRO 56 N 4.19 0.59 0.24 2.79 -0.02 -1.26 -4.88 135.00 136.65 3hin n PRO 56 Ca 0.14 0.23 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3hin n PRO 56 Cb 0.39 -1.72 0.50 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.41 0.00 0.96 2.55 3.32 -2.03 -2.63 116.42 118.99 3hin h ASP 57 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hin h ASP 57 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3hin h ASP 57 CO 0.48 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 3hin n GLN 58 N -3.26 0.10 -2.76 3.56 0.00 -1.26 -4.68 117.38 109.09 3hin n GLN 58 Ca 0.01 0.19 -0.42 0.00 0.00 0.00 0.00 57.00 56.78 3hin n GLN 58 Cb 0.41 -1.65 -0.03 0.00 0.00 0.00 0.00 30.24 28.97 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 -3.09 4.84 0.00 -0.39 -1.09 -0.99 -4.46 121.20 116.02 3hin s ILE 59 Ca 0.10 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 3hin s ILE 59 Cb 0.13 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 3hin s ILE 59 CO 0.46 0.05 0.58 0.54 -1.23 0.00 0.00 174.94 175.34 3hin n ARG 60 N 4.77 0.04 -3.55 2.79 1.74 0.19 -4.97 116.66 117.67 3hin n ARG 60 Ca 0.07 -0.69 -0.11 0.00 -0.77 0.00 0.00 57.85 56.35 3hin n ARG 60 Cb 0.49 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 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 -0.23 -1.35 -0.06 7.54 0.00 -1.03 -4.39 121.76 122.24 3hin s ALA 61 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3hin s ALA 61 Cb 0.00 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.98 3hin s ALA 61 CO 0.00 -0.78 -0.10 0.08 0.00 0.00 0.00 175.76 174.95 3hin s VAL 62 N -3.80 0.98 -0.18 0.00 1.01 -0.69 -0.05 120.40 117.67 3hin s VAL 62 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3hin s VAL 62 Cb -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.46 3hin s VAL 62 CO -0.09 0.32 -0.15 -0.69 0.00 0.00 0.00 175.10 174.49 3hin s VAL 63 N 0.72 2.62 -0.17 2.92 1.01 0.14 -0.23 120.40 127.39 3hin s VAL 63 Ca -0.14 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3hin s VAL 63 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3hin s VAL 63 CO 0.03 0.50 0.08 -0.63 0.00 0.00 0.00 175.10 175.09 3hin s ILE 64 N 1.10 4.99 0.24 2.22 1.01 0.09 -0.54 121.20 130.32 3hin s ILE 64 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 3hin s ILE 64 Cb -0.14 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 3hin s ILE 64 CO -0.05 0.48 0.23 -1.38 0.00 0.00 0.00 174.94 174.23 3hin s HIS 65 N 0.11 1.12 -0.05 3.97 -3.43 -0.24 -0.74 115.29 116.03 3hin s HIS 65 Ca 0.06 -1.31 0.03 0.00 -0.80 0.00 0.00 55.06 53.04 3hin s HIS 65 Cb -0.12 -0.43 -0.03 0.00 -1.43 0.00 0.00 32.58 30.57 3hin s HIS 65 CO 0.00 -0.76 -0.12 0.20 -2.00 0.00 0.00 174.74 172.06 3hin s GLY 66 N -3.17 1.60 0.03 -1.38 0.00 -1.26 -0.36 107.32 102.76 3hin s GLY 66 Ca 0.36 -0.95 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 3hin s GLY 66 CO 0.14 -0.74 0.64 -0.42 0.00 0.00 0.00 173.10 172.72 3hin s ILE 67 N -0.77 4.82 0.00 0.90 -1.09 -0.22 -4.85 121.20 119.98 3hin s ILE 67 Ca 0.12 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.90 3hin s ILE 67 Cb -0.11 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3hin s ILE 67 CO 0.01 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 3hin n GLY 68 N 2.30 -1.79 0.04 6.18 0.00 -1.26 -4.50 105.19 106.17 3hin n GLY 68 Ca -0.06 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 0.11 0.27 -4.10 1.61 8.00 -1.26 -4.89 116.55 116.29 3hin n ASP 69 Ca 0.00 0.54 -0.20 0.00 0.71 0.00 0.00 54.79 55.85 3hin n ASP 69 Cb 0.00 -0.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.35 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 1.10 -0.03 1.24 3.76 -1.26 -2.97 115.29 114.05 3hin s HIS 70 Ca 0.09 -0.28 -0.08 0.00 -0.15 0.00 0.00 55.06 54.64 3hin s HIS 70 Cb 0.13 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 3hin s HIS 70 CO 0.43 0.00 0.47 0.35 -0.85 0.00 0.00 174.74 175.15 3hin h PHE 71 N 5.35 -0.27 -1.60 1.40 3.57 -0.77 -3.40 116.94 121.22 3hin h PHE 71 Ca -0.35 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.24 3hin h PHE 71 Cb 1.18 0.09 -0.26 0.00 2.79 0.00 0.00 35.95 39.75 3hin h PHE 71 CO 0.48 -0.17 0.32 0.45 -2.23 0.00 0.00 178.31 177.16 3hin s SER 72 N -4.10 -0.58 0.00 0.41 0.15 0.13 -4.63 113.70 105.08 3hin s SER 72 Ca -0.04 0.92 0.14 0.00 0.70 0.00 0.00 55.95 57.66 3hin s SER 72 Cb 0.00 1.25 0.61 0.00 -1.71 0.00 0.00 66.02 66.17 3hin s SER 72 CO 0.13 -0.14 1.42 0.00 1.20 0.00 0.00 173.24 175.84 3hin n ALA 73 N 3.83 2.53 -0.04 5.45 0.00 -0.76 -2.06 120.51 129.45 3hin n ALA 73 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3hin n ALA 73 Cb 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.87 0.42 3.74 0.00 0.00 -1.15 -4.65 105.19 104.43 3hin n GLY 74 Ca 0.11 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.24 0.99 2.96 -1.26 0.01 118.68 125.51 3hin s LEU 75 Ca 0.00 2.78 -0.29 0.00 -0.22 0.00 0.00 54.13 56.40 3hin s LEU 75 Cb 0.00 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 3hin s LEU 75 CO 0.00 -0.84 1.77 -0.62 -1.32 0.00 0.00 176.35 175.34 3hin s ASP 76 N 0.69 6.12 0.11 3.68 -1.08 -1.16 -4.78 116.67 120.24 3hin s ASP 76 Ca 0.65 1.62 0.11 0.00 -0.52 0.00 0.00 52.55 54.41 3hin s ASP 76 Cb -0.45 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 38.32 3hin s ASP 76 CO 0.41 -1.47 1.13 -0.07 0.52 0.00 0.00 175.17 175.68 3hin h LEU 77 N 12.65 0.00 0.11 -1.34 3.38 -1.94 -2.62 115.31 125.54 3hin h LEU 77 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hin h LEU 77 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3hin h LEU 77 CO 1.00 0.87 -0.18 -1.28 0.09 0.00 0.00 178.44 178.94 3hin h SER 78 N 0.00 -0.52 0.00 -0.43 0.87 -2.02 -3.00 113.55 108.45 3hin h SER 78 Ca -0.08 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3hin h SER 78 Cb 1.74 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 3hin h SER 78 CO 0.10 -0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 175.57 3hin n GLU 79 N -3.43 0.29 -0.68 2.24 1.02 -1.20 -4.78 120.64 114.09 3hin n GLU 79 Ca -0.04 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.78 3hin n GLU 79 Cb 0.15 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3hin n GLU 79 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hin n LEU 80 N -0.96 0.41 -5.02 -4.62 7.94 -0.99 -4.91 117.00 108.85 3hin n LEU 80 Ca 0.06 0.38 -0.18 0.00 -1.11 0.00 0.00 56.01 55.16 3hin n LEU 80 Cb 0.03 -0.48 0.03 0.00 0.53 0.00 0.00 43.42 43.53 3hin n LEU 80 CO 0.05 -0.41 0.24 -0.60 -1.11 0.00 0.00 177.39 175.55 3hin s ARG 81 N 3.09 2.59 -0.26 1.96 3.52 -1.26 -5.10 118.95 123.50 3hin s ARG 81 Ca 0.63 -1.42 -0.05 0.00 -0.13 0.00 0.00 55.73 54.75 3hin s ARG 81 Cb -0.80 -2.70 -0.00 0.00 -1.56 0.00 0.00 34.95 29.89 3hin s ARG 81 CO 0.35 -0.53 0.02 -1.21 -0.81 0.00 0.00 175.30 173.13 3hin s GLU 82 N -4.49 3.28 -0.03 5.12 0.41 -1.26 -5.10 118.70 116.63 3hin s GLU 82 Ca 0.58 -0.71 0.02 0.00 -0.41 0.00 0.00 54.97 54.44 3hin s GLU 82 Cb -0.08 -3.20 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 3hin s GLU 82 CO 0.36 -0.30 -0.06 1.03 -0.49 0.00 0.00 175.26 175.79 3hin s ARG 83 N 1.50 0.79 0.79 1.61 0.52 -1.26 -5.07 118.95 117.83 3hin s ARG 83 Ca 0.04 -0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 54.94 3hin s ARG 83 Cb -0.16 -0.77 0.07 0.00 0.52 0.00 0.00 34.95 34.62 3hin s ARG 83 CO 0.00 0.04 1.15 0.16 0.02 0.00 0.00 175.30 176.67 3hin s ASP 84 N 0.40 4.66 0.26 0.23 1.47 -1.26 -4.80 116.67 117.63 3hin s ASP 84 Ca -0.05 0.80 -0.03 0.00 1.18 0.00 0.00 52.55 54.44 3hin s ASP 84 Cb -0.10 -1.35 0.54 0.00 -0.34 0.00 0.00 42.92 41.68 3hin s ASP 84 CO 0.00 -1.80 1.66 0.00 0.68 0.00 0.00 175.17 175.71 3hin h ALA 85 N -0.96 1.03 -0.17 2.11 0.00 -2.00 0.67 119.26 119.93 3hin h ALA 85 Ca -0.46 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3hin h ALA 85 Cb 1.32 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3hin h ALA 85 CO 0.65 -0.40 -0.04 1.15 0.00 0.00 0.00 179.25 180.61 3hin h THR 86 N 0.21 1.29 -0.69 0.00 2.02 -2.00 -2.47 112.91 111.27 3hin h THR 86 Ca 0.46 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3hin h THR 86 Cb 0.85 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 3hin h THR 86 CO -0.59 0.30 0.35 -0.33 0.37 0.00 0.00 175.52 175.61 3hin h GLU 87 N 0.03 0.97 0.00 6.66 5.08 -1.67 -2.14 114.58 123.52 3hin h GLU 87 Ca 0.04 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3hin h GLU 87 Cb 0.47 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3hin h GLU 87 CO 0.02 0.74 -0.52 0.78 -1.00 0.00 0.00 179.01 179.03 3hin h GLY 88 N 1.04 0.00 0.64 -3.84 0.00 -0.83 0.12 103.07 100.19 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 -0.03 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.49 3hin h LEU 89 N 0.00 0.08 -0.33 3.11 5.85 -0.94 -1.15 115.31 121.94 3hin h LEU 89 Ca -0.01 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hin h LEU 89 Cb 0.96 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3hin h LEU 89 CO 0.07 0.47 0.19 0.58 -0.34 0.00 0.00 178.44 179.40 3hin h VAL 90 N -0.30 1.12 0.01 1.05 2.07 -1.22 -0.47 116.25 118.51 3hin h VAL 90 Ca 0.01 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3hin h VAL 90 Cb 0.44 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hin h VAL 90 CO 0.01 0.12 -0.01 -0.74 0.02 0.00 0.00 177.57 176.97 3hin h HIS 91 N 0.42 -0.01 -0.73 1.57 -0.00 -0.73 -1.09 115.15 114.58 3hin h HIS 91 Ca 0.12 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.53 3hin h HIS 91 Cb 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.40 3hin h HIS 91 CO -0.03 0.01 0.44 1.03 -0.00 0.00 0.00 177.93 179.37 3hin h SER 92 N -0.03 0.70 -0.71 3.26 0.87 -1.07 -2.13 113.55 114.45 3hin h SER 92 Ca -0.00 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3hin h SER 92 Cb 0.02 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 3hin h SER 92 CO 0.00 0.46 0.47 1.56 -0.53 0.00 0.00 176.83 178.79 3hin h GLN 93 N 0.83 0.83 -0.57 2.24 1.08 -0.67 -0.64 115.11 118.22 3hin h GLN 93 Ca 0.31 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.35 3hin h GLN 93 Cb 0.10 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3hin h GLN 93 CO -0.15 0.55 -0.07 1.79 -0.95 0.00 0.00 178.83 180.01 3hin h THR 94 N 0.86 1.27 -0.17 -0.54 1.35 -0.59 -1.57 112.91 113.52 3hin h THR 94 Ca 0.28 -1.23 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 3hin h THR 94 Cb 0.05 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 3hin h THR 94 CO -0.08 0.44 0.04 -0.50 -0.25 0.00 0.00 175.52 175.17 3hin h TRP 95 N 0.95 0.07 -0.95 4.73 4.06 -0.64 -2.27 115.95 121.90 3hin h TRP 95 Ca 0.15 0.01 0.24 0.00 2.06 0.00 0.00 58.89 61.35 3hin h TRP 95 Cb 0.64 -0.01 -0.13 0.00 -1.00 0.00 0.00 29.16 28.67 3hin h TRP 95 CO 0.04 0.03 0.48 0.45 -3.56 0.00 0.00 178.44 175.88 3hin h HIS 96 N 0.11 0.81 -0.10 0.49 3.86 -0.91 -0.63 115.15 118.79 3hin h HIS 96 Ca 0.07 0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 3hin h HIS 96 Cb 0.06 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3hin h HIS 96 CO -0.13 -0.02 -0.50 0.00 0.86 0.00 0.00 177.93 178.14 3hin h ARG 97 N 0.46 0.25 -0.16 2.45 2.47 -0.72 -0.47 114.38 118.65 3hin h ARG 97 Ca 0.61 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 59.17 3hin h ARG 97 Cb 1.18 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 3hin h ARG 97 CO -0.52 0.69 0.02 0.28 0.56 0.00 0.00 179.97 181.00 3hin h VAL 98 N 0.20 1.23 0.00 2.04 2.07 -0.95 -3.23 116.25 117.61 3hin h VAL 98 Ca 0.01 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3hin h VAL 98 Cb 0.95 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3hin h VAL 98 CO 0.08 0.22 -0.22 -0.26 0.02 0.00 0.00 177.57 177.41 3hin h PHE 99 N 0.04 0.00 -0.81 1.57 0.04 -0.55 -1.46 116.94 115.77 3hin h PHE 99 Ca 0.05 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.92 3hin h PHE 99 Cb 0.32 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 3hin h PHE 99 CO 0.02 0.22 0.53 -0.44 -0.60 0.00 0.00 178.31 178.04 3hin h ASP 100 N 0.00 0.65 0.66 2.17 3.45 -1.12 -0.25 116.42 121.97 3hin h ASP 100 Ca -0.00 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3hin h ASP 100 Cb 0.47 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3hin h ASP 100 CO 0.03 0.38 -0.05 0.11 -1.57 0.00 0.00 179.24 178.14 3hin h LYS 101 N 0.72 0.00 0.00 3.56 6.56 -1.28 -0.44 116.57 125.69 3hin h LYS 101 Ca 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.97 3hin h LYS 101 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 3hin h LYS 101 CO -0.15 0.05 -0.30 0.82 -2.06 0.00 0.00 179.45 177.80 3hin h ILE 102 N 0.00 0.00 -0.91 1.86 2.04 -1.24 -2.92 117.51 116.34 3hin h ILE 102 Ca -0.00 -0.88 0.13 0.00 1.00 0.00 0.00 64.86 65.12 3hin h ILE 102 Cb 0.39 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.38 3hin h ILE 102 CO 0.01 0.00 0.52 -0.61 0.00 0.00 0.00 178.15 178.07 3hin h GLN 103 N -0.88 0.75 -0.45 2.37 4.15 -1.11 -1.50 115.11 118.45 3hin h GLN 103 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3hin h GLN 103 Cb 0.30 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3hin h GLN 103 CO 0.00 0.50 0.00 0.66 -1.93 0.00 0.00 178.83 178.06 3hin n TYR 104 N -4.76 1.44 -1.47 3.99 4.02 -0.18 -4.95 117.16 115.25 3hin n TYR 104 Ca 0.18 -0.75 -0.43 0.00 -0.01 0.00 0.00 57.90 56.89 3hin n TYR 104 Cb 0.40 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 0.98 0.00 -5.24 0.00 2.43 -1.90 -3.44 114.38 107.20 3hin h ARG 106 Ca -0.39 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.40 3hin h ARG 106 Cb 1.39 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.77 3hin h ARG 106 CO 0.53 0.00 -0.74 0.54 -1.51 0.00 0.00 179.97 178.79 3hin s VAL 107 N -3.61 1.23 0.39 0.20 0.11 -1.26 -4.76 120.40 112.69 3hin s VAL 107 Ca 0.01 -1.81 -0.27 0.00 -2.93 0.00 0.00 61.98 56.98 3hin s VAL 107 Cb 0.09 -1.60 -0.09 0.00 -1.53 0.00 0.00 36.38 33.25 3hin s VAL 107 CO 0.44 -0.54 1.33 -2.84 -3.33 0.00 0.00 175.10 170.16 3hin s PRO 108 N -3.01 4.05 -0.11 1.54 0.02 -1.26 -4.85 135.00 131.37 3hin s PRO 108 Ca 0.11 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3hin s PRO 108 Cb -0.02 -2.84 -0.00 0.00 0.02 0.00 0.00 34.50 31.65 3hin s PRO 108 CO 0.02 -0.45 -0.21 0.08 -0.33 0.00 0.00 177.00 176.11 3hin s VAL 109 N -1.22 2.32 -0.09 3.83 1.01 -1.26 -1.71 120.40 123.28 3hin s VAL 109 Ca 0.55 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3hin s VAL 109 Cb -0.40 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3hin s VAL 109 CO 0.52 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 175.35 3hin s ILE 110 N 0.39 1.66 -0.16 2.22 1.01 0.67 -0.35 121.20 126.64 3hin s ILE 110 Ca -0.16 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3hin s ILE 110 Cb -0.17 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3hin s ILE 110 CO 0.07 0.47 0.01 0.00 0.00 0.00 0.00 174.94 175.49 3hin s ALA 111 N 0.60 3.21 -0.34 9.38 0.00 -0.10 -0.73 121.76 133.77 3hin s ALA 111 Ca -0.14 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 3hin s ALA 111 Cb -0.17 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 3hin s ALA 111 CO 0.05 0.22 0.44 0.00 0.00 0.00 0.00 175.76 176.47 3hin s ALA 112 N 0.29 3.49 -0.09 0.00 0.00 0.08 -0.76 121.76 124.76 3hin s ALA 112 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 3hin s ALA 112 Cb -0.13 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 3hin s ALA 112 CO 0.02 -1.13 -0.06 -0.51 0.00 0.00 0.00 175.76 174.07 3hin s LEU 113 N 2.21 3.17 0.19 0.00 1.43 0.83 -4.38 118.68 122.12 3hin s LEU 113 Ca 0.15 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 3hin s LEU 113 Cb -0.16 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.38 3hin s LEU 113 CO 0.12 0.31 0.51 -1.59 0.23 0.00 0.00 176.35 175.94 3hin s LYS 114 N -0.52 1.35 1.19 1.70 -2.85 -1.26 -1.67 119.74 117.69 3hin s LYS 114 Ca 0.08 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 3hin s LYS 114 Cb -0.12 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3hin s LYS 114 CO 0.02 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.31 3hin n GLY 115 N -0.33 1.28 3.68 0.59 0.00 -1.07 -1.16 105.19 108.18 3hin n GLY 115 Ca -0.10 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 3hin n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hin n ALA 116 N 4.75 1.51 -3.59 4.61 0.00 -1.26 -1.14 120.51 125.40 3hin n ALA 116 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 3hin n ALA 116 Cb 0.00 -2.47 -0.12 0.00 0.00 0.00 0.00 19.45 16.86 3hin n ALA 116 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hin s VAL 117 N 2.30 0.91 -0.01 0.00 1.01 -0.18 -0.70 120.40 123.72 3hin s VAL 117 Ca 0.83 -2.40 0.01 0.00 0.00 0.00 0.00 61.98 60.42 3hin s VAL 117 Cb -0.62 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3hin s VAL 117 CO 0.41 -0.99 -0.03 -0.63 0.00 0.00 0.00 175.10 173.87 3hin s ILE 118 N 0.43 0.28 0.00 2.22 1.01 -0.87 -3.08 121.20 121.18 3hin s ILE 118 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3hin s ILE 118 Cb -0.18 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3hin s ILE 118 CO -0.04 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3hin n GLY 119 N 3.36 3.65 0.30 6.18 0.00 -0.10 0.01 105.19 118.59 3hin n GLY 119 Ca -0.17 0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.91 -0.02 0.00 -1.89 0.40 103.07 102.47 3hin h GLY 120 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hin h GLY 120 CO 0.00 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.32 3hin h GLY 121 N 1.15 0.47 1.31 4.60 0.00 -0.61 0.70 103.07 110.69 3hin h GLY 121 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 3hin h GLY 121 CO 0.00 0.25 -0.24 -2.00 0.00 0.00 0.00 176.54 174.55 3hin h LEU 122 N 0.31 0.81 -1.35 3.11 5.85 -0.94 -0.91 115.31 122.19 3hin h LEU 122 Ca 0.10 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3hin h LEU 122 Cb 0.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hin h LEU 122 CO -0.01 1.01 0.06 -0.33 -0.34 0.00 0.00 178.44 178.84 3hin h GLU 123 N 0.69 0.50 -0.12 1.25 5.08 -0.61 0.15 114.58 121.53 3hin h GLU 123 Ca 0.09 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3hin h GLU 123 Cb 0.76 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3hin h GLU 123 CO 0.06 0.48 -0.17 1.25 -1.00 0.00 0.00 179.01 179.63 3hin h LEU 124 N 0.49 0.35 -1.07 1.33 5.85 -0.43 -2.44 115.31 119.38 3hin h LEU 124 Ca 0.11 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.38 3hin h LEU 124 Cb 0.22 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 3hin h LEU 124 CO -0.00 0.80 0.62 0.00 -0.34 0.00 0.00 178.44 179.53 3hin h ALA 125 N 0.55 1.47 -0.36 1.25 0.00 -0.68 -1.27 119.26 120.23 3hin h ALA 125 Ca 0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hin h ALA 125 Cb 0.73 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hin h ALA 125 CO 0.04 0.38 0.24 0.00 0.00 0.00 0.00 179.25 179.91 3hin h ALA 127 N 1.80 0.92 -2.32 0.00 0.00 -0.76 -3.45 119.26 115.46 3hin h ALA 127 Ca 0.15 -0.26 -0.51 0.00 0.00 0.00 0.00 54.91 54.30 3hin h ALA 127 Cb 0.25 -0.05 0.14 0.00 0.00 0.00 0.00 17.79 18.13 3hin h ALA 127 CO -0.03 0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.87 3hin s ALA 128 N -3.42 2.10 -0.05 0.00 0.00 -0.96 -3.50 121.76 115.93 3hin s ALA 128 Ca 0.02 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.97 3hin s ALA 128 Cb 0.09 -3.26 -0.29 0.00 0.00 0.00 0.00 23.12 19.66 3hin s ALA 128 CO 0.67 -1.91 0.92 0.45 0.00 0.00 0.00 175.76 175.90 3hin h HIS 129 N -1.23 0.46 -4.01 0.00 3.86 -1.00 -3.46 115.15 109.77 3hin h HIS 129 Ca -0.45 -0.31 -0.58 0.00 -1.16 0.00 0.00 60.37 57.88 3hin h HIS 129 Cb 1.24 -0.03 -0.31 0.00 1.06 0.00 0.00 27.41 29.38 3hin h HIS 129 CO 0.55 1.21 -0.84 0.42 0.86 0.00 0.00 177.93 180.12 3hin s ILE 130 N -2.59 1.50 -0.09 2.45 1.01 -0.92 -5.03 121.20 117.53 3hin s ILE 130 Ca -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3hin s ILE 130 Cb 0.01 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3hin s ILE 130 CO 0.80 0.43 -0.15 -0.13 0.00 0.00 0.00 174.94 175.89 3hin s ARG 131 N -0.09 2.92 -0.20 2.79 0.52 -1.26 -0.93 118.95 122.70 3hin s ARG 131 Ca -0.01 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 3hin s ARG 131 Cb -0.11 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.90 3hin s ARG 131 CO 0.02 0.41 -0.13 0.08 0.02 0.00 0.00 175.30 175.70 3hin s VAL 132 N -0.16 2.64 -0.13 3.52 1.01 0.06 -2.66 120.40 124.67 3hin s VAL 132 Ca -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3hin s VAL 132 Cb -0.13 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3hin s VAL 132 CO 0.03 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.52 3hin s ALA 133 N 1.36 2.90 0.59 5.51 0.00 -0.50 -0.12 121.76 131.50 3hin s ALA 133 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 3hin s ALA 133 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3hin s ALA 133 CO -0.08 0.30 0.96 -2.00 0.00 0.00 0.00 175.76 174.93 3hin s GLU 134 N 0.12 3.43 0.30 0.00 2.12 -0.67 0.62 118.70 124.63 3hin s GLU 134 Ca -0.03 0.49 0.05 0.00 0.36 0.00 0.00 54.97 55.84 3hin s GLU 134 Cb -0.14 -2.17 0.68 0.00 0.26 0.00 0.00 34.13 32.76 3hin s GLU 134 CO 0.03 -0.54 1.82 0.00 -0.54 0.00 0.00 175.26 176.03 3hin h ALA 135 N -0.20 1.64 0.00 6.30 0.00 -1.68 -1.82 119.26 123.51 3hin h ALA 135 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hin h ALA 135 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hin h ALA 135 CO 0.62 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.79 3hin n SER 136 N -4.67 0.00 -4.77 0.00 3.41 -1.26 -4.27 113.62 102.06 3hin n SER 136 Ca 0.21 0.44 -0.35 0.00 -0.26 0.00 0.00 58.87 58.91 3hin n SER 136 Cb 0.47 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.94 2.70 0.05 7.33 0.00 -0.69 -2.60 121.76 125.62 3hin s ALA 137 Ca 0.08 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 3hin s ALA 137 Cb 0.09 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 3hin s ALA 137 CO 0.25 -0.76 0.17 1.52 0.00 0.00 0.00 175.76 176.93 3hin s TYR 138 N -1.76 0.13 -0.05 0.00 -0.85 -0.29 -1.08 117.35 113.44 3hin s TYR 138 Ca 0.73 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.88 3hin s TYR 138 Cb -0.24 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.03 3hin s TYR 138 CO 0.27 -0.45 -0.14 0.71 -1.52 0.00 0.00 175.55 174.42 3hin s TYR 139 N -2.98 1.53 0.08 -3.49 2.02 0.32 -1.02 117.35 113.81 3hin s TYR 139 Ca -0.02 -0.49 -0.22 0.00 -0.37 0.00 0.00 57.07 55.98 3hin s TYR 139 Cb 0.01 -1.07 0.05 0.00 -0.40 0.00 0.00 41.96 40.56 3hin s TYR 139 CO -0.06 -0.21 0.53 0.00 -1.57 0.00 0.00 175.55 174.24 3hin s ALA 140 N 0.30 -1.34 -0.56 3.71 0.00 -1.18 -1.52 121.76 121.17 3hin s ALA 140 Ca -0.08 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.42 3hin s ALA 140 Cb -0.13 0.54 0.19 0.00 0.00 0.00 0.00 23.12 23.72 3hin s ALA 140 CO 0.03 -0.59 0.47 1.28 0.00 0.00 0.00 175.76 176.95 3hin n LEU 141 N 0.13 1.50 -0.29 0.00 4.77 -1.26 -0.92 117.00 120.92 3hin n LEU 141 Ca -0.18 -4.87 0.13 0.00 -0.03 0.00 0.00 56.01 51.07 3hin n LEU 141 Cb 0.62 -0.12 0.62 0.00 -2.33 0.00 0.00 43.42 42.20 3hin n LEU 141 CO 0.17 1.86 0.91 -2.65 -1.33 0.00 0.00 177.39 176.35 3hin n PRO 142 N 2.13 1.39 -0.16 3.23 -0.02 -1.26 -3.88 135.00 136.42 3hin n PRO 142 Ca 0.25 -0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.04 3hin n PRO 142 Cb 0.42 -1.44 -0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3hin n PRO 142 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hin h GLU 143 N 1.30 1.00 -0.73 -0.52 9.09 -1.93 -2.88 114.58 119.90 3hin h GLU 143 Ca 0.00 -0.42 0.22 0.00 0.05 0.00 0.00 59.36 59.21 3hin h GLU 143 Cb 0.28 -0.04 -0.13 0.00 -1.65 0.00 0.00 28.75 27.21 3hin h GLU 143 CO 0.00 1.10 0.10 0.41 0.05 0.00 0.00 179.01 180.67 3hin n GLY 144 N -0.12 -0.89 0.28 1.06 0.00 -1.16 0.12 105.19 104.49 3hin n GLY 144 Ca 0.00 0.69 0.13 0.00 0.00 0.00 0.00 46.02 46.84 3hin n GLY 144 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hin h SER 145 N 0.00 0.00 -0.81 1.61 4.64 -1.77 -1.01 113.55 116.22 3hin h SER 145 Ca 0.48 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.51 3hin h SER 145 Cb 1.07 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.99 3hin h SER 145 CO -0.66 0.03 0.36 -2.11 -0.87 0.00 0.00 176.83 173.59 3hin n ARG 146 N -3.91 3.42 -1.36 4.77 1.85 0.33 -4.95 116.66 116.82 3hin n ARG 146 Ca -0.03 -3.08 -0.12 0.00 -1.00 0.00 0.00 57.85 53.62 3hin n ARG 146 Cb 0.12 -2.22 -0.05 0.00 -1.05 0.00 0.00 32.46 29.26 3hin n ARG 146 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hin n GLY 147 N -0.37 1.30 3.34 2.89 0.00 -0.38 -5.01 105.19 106.96 3hin n GLY 147 Ca 0.46 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3hin n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hin s ILE 148 N -2.38 3.29 1.05 -0.61 1.01 -1.20 -4.99 121.20 117.38 3hin s ILE 148 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 3hin s ILE 148 Cb 0.00 -2.46 0.24 0.00 0.01 0.00 0.00 42.46 40.25 3hin s ILE 148 CO 0.00 0.46 1.27 0.12 0.00 0.00 0.00 174.94 176.79 3hin s PHE 149 N 1.04 1.13 0.27 3.97 5.36 -1.26 -2.99 117.98 125.50 3hin s PHE 149 Ca 0.00 0.33 -0.23 0.00 -0.96 0.00 0.00 56.93 56.07 3hin s PHE 149 Cb -0.15 -3.96 -0.09 0.00 -0.34 0.00 0.00 43.02 38.49 3hin s PHE 149 CO -0.01 -3.11 0.83 0.14 -1.46 0.00 0.00 175.22 171.62 3hin s VAL 150 N -3.64 4.39 0.00 3.12 -7.23 -1.26 -4.93 120.40 110.84 3hin s VAL 150 Ca 0.74 1.57 0.00 0.00 -1.81 0.00 0.00 61.98 62.48 3hin s VAL 150 Cb -0.05 -3.95 0.00 0.00 0.56 0.00 0.00 36.38 32.94 3hin s VAL 150 CO 0.54 0.19 0.86 0.61 -0.31 0.00 0.00 175.10 177.00 3hin n GLY 151 N 0.70 1.45 1.03 2.32 0.00 -1.26 -4.81 105.19 104.61 3hin n GLY 151 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.36 4.91 1.69 -0.02 0.00 -1.26 -4.65 105.19 105.49 3hin n GLY 152 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.11 1.45 0.29 -0.02 0.00 -1.26 -4.79 105.19 99.75 3hin n GLY 153 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 0.41 2.00 -0.02 0.00 -1.90 -0.09 103.07 103.47 3hin h GLY 154 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3hin h GLY 154 CO 0.00 0.16 0.00 1.48 0.00 0.00 0.00 176.54 178.18 3hin h SER 155 N 0.39 0.00 0.01 0.19 4.64 -1.91 -0.44 113.55 116.42 3hin h SER 155 Ca 0.10 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.01 3hin h SER 155 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 3hin h SER 155 CO -0.02 0.00 -2.43 0.52 -0.87 0.00 0.00 176.83 174.03 3hin n VAL 156 N -2.77 1.52 0.04 0.95 0.31 -0.33 -4.58 118.33 113.48 3hin n VAL 156 Ca 0.02 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.65 3hin n VAL 156 Cb 0.30 -1.62 -0.14 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.37 0.28 -0.13 5.55 3.08 -0.90 -3.35 114.38 118.55 3hin h ARG 157 Ca -0.61 -0.47 -0.16 0.00 0.07 0.00 0.00 59.98 58.81 3hin h ARG 157 Cb 1.79 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 32.01 3hin h ARG 157 CO -0.20 1.23 -0.61 1.25 -1.07 0.00 0.00 179.97 180.57 3hin h LEU 158 N -0.41 0.49 -1.63 3.04 5.85 -1.29 -2.88 115.31 118.47 3hin h LEU 158 Ca -0.14 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3hin h LEU 158 Cb 1.60 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 3hin h LEU 158 CO 0.14 0.98 -0.04 -0.65 -0.34 0.00 0.00 178.44 178.53 3hin h PRO 159 N 0.32 0.18 0.00 5.25 0.11 -1.75 0.20 132.00 136.31 3hin h PRO 159 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3hin h PRO 159 Cb 1.15 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hin h PRO 159 CO 0.11 0.24 -0.09 0.00 -0.21 0.00 0.00 178.00 178.05 3hin h ARG 160 N 0.18 0.00 0.06 1.05 3.08 -1.64 0.39 114.38 117.50 3hin h ARG 160 Ca 0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.75 3hin h ARG 160 Cb 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3hin h ARG 160 CO 0.01 0.09 -1.98 1.28 -1.07 0.00 0.00 179.97 178.30 3hin n LEU 161 N -3.94 1.79 0.00 3.04 4.77 -0.52 -4.73 117.00 117.40 3hin n LEU 161 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3hin n LEU 161 Cb 0.18 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3hin n LEU 161 CO 0.31 0.66 0.06 2.30 -1.33 0.00 0.00 177.39 179.39 3hin n ILE 162 N -3.23 0.00 0.00 -0.08 -5.35 0.58 -4.27 119.36 107.01 3hin n ILE 162 Ca -0.28 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 3hin n ILE 162 Cb 1.05 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 40.11 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 0.36 -1.45 0.24 3.28 0.00 0.14 -4.43 105.19 103.33 3hin n GLY 163 Ca 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 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 0.88 -0.49 1.61 2.07 -1.91 -3.04 116.25 115.38 3hin h VAL 164 Ca 0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3hin h VAL 164 Cb 0.00 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3hin h VAL 164 CO 0.00 0.10 0.13 0.00 0.02 0.00 0.00 177.57 177.81 3hin h ALA 165 N 1.36 0.65 -0.37 1.67 0.00 -1.97 0.45 119.26 121.05 3hin h ALA 165 Ca 0.29 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hin h ALA 165 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hin h ALA 165 CO -0.23 0.33 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 3hin h ARG 166 N 0.67 0.65 0.11 0.00 3.08 -1.77 -2.21 114.38 114.91 3hin h ARG 166 Ca 0.16 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3hin h ARG 166 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hin h ARG 166 CO 0.00 0.75 -0.05 1.98 -1.07 0.00 0.00 179.97 181.58 3hin h MET 167 N 0.59 -0.14 -0.71 0.04 4.05 -1.26 -1.91 114.93 115.60 3hin h MET 167 Ca 0.10 0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.68 3hin h MET 167 Cb 0.56 0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 31.28 3hin h MET 167 CO 0.04 0.19 0.16 0.00 0.23 0.00 0.00 176.91 177.52 3hin h ALA 168 N 0.37 0.90 -0.33 0.39 0.00 -0.11 0.03 119.26 120.51 3hin h ALA 168 Ca -0.01 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hin h ALA 168 Cb 0.39 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hin h ALA 168 CO 0.02 -0.33 0.19 0.22 0.00 0.00 0.00 179.25 179.36 3hin h ASP 169 N 0.27 0.31 -0.61 0.00 3.58 -1.31 -0.08 116.42 118.57 3hin h ASP 169 Ca 0.40 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.94 3hin h ASP 169 Cb 0.66 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.58 3hin h ASP 169 CO -0.49 0.23 0.23 0.24 -2.88 0.00 0.00 179.24 176.56 3hin h MET 170 N 0.39 0.40 -0.12 0.28 2.86 -0.44 0.16 114.93 118.46 3hin h MET 170 Ca 0.13 -0.02 -0.22 0.00 -2.06 0.00 0.00 59.70 57.53 3hin h MET 170 Cb 0.00 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.58 3hin h MET 170 CO -0.06 0.26 -0.80 0.52 1.06 0.00 0.00 176.91 177.89 3hin h MET 171 N 0.41 0.68 -0.01 1.72 2.86 -0.69 -0.37 114.93 119.52 3hin h MET 171 Ca 0.31 -0.57 -0.15 0.00 -2.06 0.00 0.00 59.70 57.23 3hin h MET 171 Cb 0.39 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3hin h MET 171 CO -0.31 1.19 -0.70 -0.07 1.06 0.00 0.00 176.91 178.08 3hin h LEU 172 N 0.45 0.10 -0.39 1.22 3.38 -0.44 -3.38 115.31 116.25 3hin h LEU 172 Ca -0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3hin h LEU 172 Cb 1.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3hin h LEU 172 CO 0.16 0.76 -0.01 0.35 0.09 0.00 0.00 178.44 179.79 3hin n THR 173 N -3.75 0.00 -1.01 0.22 -2.24 -0.01 -4.98 114.28 102.51 3hin n THR 173 Ca -0.02 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3hin n THR 173 Cb 0.68 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.62 0.47 3.61 3.38 0.00 -0.15 -4.95 105.19 108.17 3hin n GLY 174 Ca 0.00 -0.22 -0.48 0.00 0.00 0.00 0.00 46.02 45.32 3hin n GLY 174 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hin n ARG 175 N -2.74 1.45 -4.45 1.61 0.63 -1.22 -4.83 116.66 107.11 3hin n ARG 175 Ca -0.00 0.52 -0.34 0.00 -0.92 0.00 0.00 57.85 57.10 3hin n ARG 175 Cb 0.04 -2.07 -0.11 0.00 0.45 0.00 0.00 32.46 30.77 3hin n ARG 175 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hin s VAL 176 N -0.11 4.02 -0.06 5.15 1.01 -1.26 -4.56 120.40 124.59 3hin s VAL 176 Ca 0.72 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.36 3hin s VAL 176 Cb -0.79 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3hin s VAL 176 CO 0.51 0.57 -0.06 -0.31 0.00 0.00 0.00 175.10 175.81 3hin s TYR 177 N -0.52 2.95 0.74 5.22 2.02 -0.58 -4.95 117.35 122.23 3hin s TYR 177 Ca 0.08 0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.70 3hin s TYR 177 Cb -0.12 -1.71 0.03 0.00 -0.40 0.00 0.00 41.96 39.77 3hin s TYR 177 CO 0.02 0.35 1.11 -1.54 -1.57 0.00 0.00 175.55 173.92 3hin s SER 178 N -0.87 5.14 0.22 2.29 1.04 -1.26 -0.52 113.70 119.74 3hin s SER 178 Ca 0.13 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 57.59 3hin s SER 178 Cb -0.11 -1.86 0.31 0.00 0.10 0.00 0.00 66.02 64.45 3hin s SER 178 CO 0.02 -1.53 1.77 0.00 0.98 0.00 0.00 173.24 174.48 3hin h ALA 179 N -0.79 0.91 -0.58 5.32 0.00 -1.28 0.35 119.26 123.19 3hin h ALA 179 Ca -0.45 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hin h ALA 179 Cb 1.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3hin h ALA 179 CO 0.63 -0.07 0.10 0.00 0.00 0.00 0.00 179.25 179.91 3hin h ALA 180 N 1.41 0.77 -0.47 0.00 0.00 -1.87 -1.21 119.26 117.90 3hin h ALA 180 Ca 0.33 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3hin h ALA 180 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hin h ALA 180 CO -0.26 0.51 -0.16 0.93 0.00 0.00 0.00 179.25 180.27 3hin h GLU 181 N 0.86 0.93 -0.55 0.00 5.08 -1.86 -3.30 114.58 115.75 3hin h GLU 181 Ca 0.18 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3hin h GLU 181 Cb 0.41 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hin h GLU 181 CO 0.01 1.04 0.36 0.78 -1.00 0.00 0.00 179.01 180.20 3hin h GLY 182 N 0.78 0.78 1.34 -3.84 0.00 0.66 -2.04 103.07 100.76 3hin h GLY 182 Ca 0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3hin h GLY 182 CO 0.06 0.29 -0.19 -0.24 0.00 0.00 0.00 176.54 176.45 3hin h VAL 183 N 0.75 1.27 -0.42 4.60 3.04 -1.33 -0.07 116.25 124.09 3hin h VAL 183 Ca 0.20 -1.29 -0.13 0.00 -1.01 0.00 0.00 66.70 64.47 3hin h VAL 183 Cb -0.07 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 3hin h VAL 183 CO -0.04 0.43 -0.27 -0.37 -1.01 0.00 0.00 177.57 176.31 3hin h VAL 184 N 0.67 1.27 0.00 1.51 -1.51 -1.51 -3.28 116.25 113.41 3hin h VAL 184 Ca 0.10 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 3hin h VAL 184 Cb 0.69 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3hin h VAL 184 CO 0.05 0.48 0.00 0.45 -1.23 0.00 0.00 177.57 177.32 3hin h HIS 185 N 0.76 0.00 0.00 5.19 3.86 -1.25 -3.47 115.15 120.24 3hin h HIS 185 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3hin h HIS 185 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 3hin h HIS 185 CO 0.05 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.25 3hin n GLY 186 N 1.02 1.09 0.32 2.45 0.00 -0.69 -4.38 105.19 104.99 3hin n GLY 186 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.63 -3.69 1.61 0.04 -1.29 -3.43 116.94 110.81 3hin h PHE 187 Ca 0.00 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 3hin h PHE 187 Cb 0.00 -0.21 -0.18 0.00 2.20 0.00 0.00 35.95 37.76 3hin h PHE 187 CO 0.00 0.39 -0.47 -1.54 -0.60 0.00 0.00 178.31 176.09 3hin s SER 188 N -6.57 0.11 0.15 2.17 1.04 -1.25 -4.82 113.70 104.54 3hin s SER 188 Ca -0.09 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 55.98 3hin s SER 188 Cb 0.18 0.25 -0.12 0.00 0.10 0.00 0.00 66.02 66.43 3hin s SER 188 CO 0.75 -0.51 1.33 1.56 0.98 0.00 0.00 173.24 177.35 3hin h GLN 189 N 3.66 0.00 -6.31 4.02 7.50 -1.83 -3.42 115.11 118.73 3hin h GLN 189 Ca -0.32 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.23 3hin h GLN 189 Cb 1.19 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.49 3hin h GLN 189 CO 0.48 0.91 -0.84 0.71 -1.50 0.00 0.00 178.83 178.59 3hin s TYR 190 N -2.83 1.91 -0.06 2.96 2.02 -1.09 -5.06 117.35 115.21 3hin s TYR 190 Ca 0.01 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 3hin s TYR 190 Cb 0.10 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 3hin s TYR 190 CO 0.81 0.20 -0.13 -1.17 -1.57 0.00 0.00 175.55 173.68 3hin s LEU 191 N -1.73 1.73 -0.37 -1.29 2.96 -1.26 -1.41 118.68 117.31 3hin s LEU 191 Ca 0.08 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3hin s LEU 191 Cb -0.10 -0.85 0.06 0.00 0.50 0.00 0.00 46.19 45.80 3hin s LEU 191 CO 0.04 0.07 0.16 -0.63 -1.32 0.00 0.00 176.35 174.66 3hin s ILE 192 N 0.47 3.78 0.14 6.68 1.09 0.20 -4.93 121.20 128.63 3hin s ILE 192 Ca -0.11 -1.36 -0.02 0.00 -1.10 0.00 0.00 60.65 58.06 3hin s ILE 192 Cb -0.14 -3.26 -0.18 0.00 -1.06 0.00 0.00 42.46 37.82 3hin s ILE 192 CO 0.03 -0.34 1.31 -0.33 -0.10 0.00 0.00 174.94 175.52 3hin h GLU 193 N 8.23 0.33 -3.62 2.79 5.08 -1.95 -2.39 114.58 123.06 3hin h GLU 193 Ca -0.22 -0.37 -0.45 0.00 -1.00 0.00 0.00 59.36 57.32 3hin h GLU 193 Cb 1.08 0.11 -0.39 0.00 0.50 0.00 0.00 28.75 30.05 3hin h GLU 193 CO 0.66 1.07 -0.76 -0.80 -1.00 0.00 0.00 179.01 178.17 3hin s ASN 194 N -7.04 1.85 0.00 1.42 -0.87 -1.26 -4.59 114.94 104.45 3hin s ASN 194 Ca -0.05 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 3hin s ASN 194 Cb 0.09 -0.44 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 3hin s ASN 194 CO 0.86 -0.23 0.00 0.61 -2.57 0.00 0.00 177.10 175.77 3hin n GLY 195 N 5.14 0.47 3.36 0.66 0.00 -1.26 -5.08 105.19 108.48 3hin n GLY 195 Ca -0.07 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 3hin n GLY 195 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hin s SER 196 N -4.00 4.53 0.27 1.61 0.15 -1.26 -4.77 113.70 110.22 3hin s SER 196 Ca 0.00 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 3hin s SER 196 Cb 0.00 -1.78 0.58 0.00 -1.71 0.00 0.00 66.02 63.11 3hin s SER 196 CO 0.00 0.00 1.71 0.00 1.20 0.00 0.00 173.24 176.15 3hin h ALA 197 N 7.96 1.22 -0.22 5.45 0.00 -1.90 -2.87 119.26 128.89 3hin h ALA 197 Ca -0.39 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hin h ALA 197 Cb 1.17 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3hin h ALA 197 CO 0.60 -0.29 -0.00 -0.92 0.00 0.00 0.00 179.25 178.64 3hin h TYR 198 N 0.40 -0.02 -0.30 0.00 3.20 -1.92 0.19 116.97 118.51 3hin h TYR 198 Ca 0.48 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.40 3hin h TYR 198 Cb 0.84 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3hin h TYR 198 CO -0.17 -0.04 0.11 -0.44 -1.64 0.00 0.00 178.16 175.98 3hin h ASP 199 N 0.06 0.14 -0.41 -2.11 3.32 -1.96 0.12 116.42 115.59 3hin h ASP 199 Ca 0.11 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3hin h ASP 199 Cb 0.14 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3hin h ASP 199 CO -0.18 0.12 0.13 0.50 -1.72 0.00 0.00 179.24 178.09 3hin h LYS 200 N 0.25 0.63 -1.00 3.56 1.63 -1.32 -0.05 116.57 120.28 3hin h LYS 200 Ca 0.13 -0.13 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 3hin h LYS 200 Cb 0.09 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 3hin h LYS 200 CO -0.13 0.62 0.65 0.00 -3.45 0.00 0.00 179.45 177.14 3hin h ALA 201 N 0.98 1.36 -0.66 5.00 0.00 -0.19 -0.73 119.26 125.03 3hin h ALA 201 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hin h ALA 201 Cb 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hin h ALA 201 CO -0.01 0.47 0.15 1.25 0.00 0.00 0.00 179.25 181.12 3hin h LEU 202 N 1.20 1.00 -0.42 0.00 5.85 -0.42 0.47 115.31 122.99 3hin h LEU 202 Ca 0.42 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hin h LEU 202 Cb 0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3hin h LEU 202 CO -0.16 0.98 0.27 -0.33 -0.34 0.00 0.00 178.44 178.86 3hin h GLU 203 N 0.98 0.56 -0.93 1.25 5.08 -0.26 -0.45 114.58 120.81 3hin h GLU 203 Ca 0.21 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3hin h GLU 203 Cb 0.37 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3hin h GLU 203 CO 0.00 0.38 0.61 -0.07 -1.00 0.00 0.00 179.01 178.94 3hin h LEU 204 N 0.56 1.02 -0.44 1.33 3.38 -0.79 0.10 115.31 120.47 3hin h LEU 204 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hin h LEU 204 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3hin h LEU 204 CO -0.03 0.72 0.23 1.23 0.09 0.00 0.00 178.44 180.67 3hin h GLY 205 N 1.20 0.67 1.81 0.83 0.00 0.67 0.22 103.07 108.47 3hin h GLY 205 Ca 0.36 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 3hin h GLY 205 CO -0.10 0.30 -0.29 3.43 0.00 0.00 0.00 176.54 179.88 3hin h ASN 206 N 0.57 0.22 0.01 0.19 2.35 -0.48 -1.51 115.58 116.93 3hin h ASN 206 Ca 0.15 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3hin h ASN 206 Cb 0.09 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3hin h ASN 206 CO -0.02 0.52 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.18 3hin h ARG 207 N 0.20 -0.01 0.00 0.81 9.65 -0.10 -3.12 114.38 121.82 3hin h ARG 207 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3hin h ARG 207 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3hin h ARG 207 CO 0.05 0.60 0.00 -0.39 2.80 0.00 0.00 179.97 183.03 3hin h VAL 208 N -0.63 0.00 0.00 0.20 -1.51 -0.51 -1.62 116.25 112.17 3hin h VAL 208 Ca -0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 3hin h VAL 208 Cb 0.62 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3hin h VAL 208 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3hin n ALA 209 N -1.96 1.64 1.21 5.19 0.00 -0.58 -1.73 120.51 124.29 3hin n ALA 209 Ca -0.00 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3hin n ALA 209 Cb 0.20 -1.39 0.52 0.00 0.00 0.00 0.00 19.45 18.78 3hin n ALA 209 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hin n GLN 210 N -2.25 0.38 -2.13 0.00 6.02 -0.61 -4.93 117.38 113.87 3hin n GLN 210 Ca 0.02 -0.14 -0.33 0.00 -0.01 0.00 0.00 57.00 56.54 3hin n GLN 210 Cb 0.22 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.71 5.88 0.44 1.08 0.01 -0.70 -5.01 114.94 113.93 3hin s ASN 211 Ca 0.21 1.83 -0.24 0.00 -0.71 0.00 0.00 52.86 53.96 3hin s ASN 211 Cb 0.19 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.24 3hin s ASN 211 CO 0.54 -1.10 1.17 0.00 -1.51 0.00 0.00 177.10 176.21 3hin s ALA 212 N -2.38 3.04 0.44 0.60 0.00 -1.26 -4.91 121.76 117.28 3hin s ALA 212 Ca 0.64 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.66 3hin s ALA 212 Cb -0.16 -3.39 0.97 0.00 0.00 0.00 0.00 23.12 20.54 3hin s ALA 212 CO 0.34 -0.63 2.06 -1.35 0.00 0.00 0.00 175.76 176.18 3hin h PRO 213 N 2.24 0.33 0.00 0.00 0.11 -1.98 -1.39 132.00 131.31 3hin h PRO 213 Ca -0.49 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3hin h PRO 213 Cb 1.24 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hin h PRO 213 CO 0.61 0.26 -0.55 1.25 -0.21 0.00 0.00 178.00 179.36 3hin h LEU 214 N 0.34 0.00 -0.20 2.35 5.85 -1.98 -1.07 115.31 120.60 3hin h LEU 214 Ca 0.09 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3hin h LEU 214 Cb 0.03 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3hin h LEU 214 CO -0.01 0.55 -0.25 0.74 -0.34 0.00 0.00 178.44 179.12 3hin h THR 215 N 0.00 0.38 0.00 1.05 2.02 -1.63 -0.50 112.91 114.23 3hin h THR 215 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3hin h THR 215 Cb 1.03 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3hin h THR 215 CO 0.07 0.00 -0.10 0.78 0.37 0.00 0.00 175.52 176.64 3hin h ASN 216 N -0.29 -0.30 -0.19 4.18 2.35 -1.23 0.27 115.58 120.38 3hin h ASN 216 Ca 0.12 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3hin h ASN 216 Cb 0.47 0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.91 3hin h ASN 216 CO -0.36 -0.15 -0.22 0.15 -1.65 0.00 0.00 177.43 175.20 3hin h PHE 217 N -0.18 -0.59 -0.49 1.19 3.57 -1.01 0.13 116.94 119.57 3hin h PHE 217 Ca 0.04 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3hin h PHE 217 Cb 0.22 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3hin h PHE 217 CO -0.17 -0.30 -0.03 0.00 -2.23 0.00 0.00 178.31 175.58 3hin h ALA 218 N 0.78 1.02 0.06 2.41 0.00 -0.66 0.31 119.26 123.18 3hin h ALA 218 Ca 0.12 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 3hin h ALA 218 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hin h ALA 218 CO -0.34 0.60 -1.37 0.28 0.00 0.00 0.00 179.25 178.42 3hin h VAL 219 N 0.77 1.31 0.19 0.00 2.07 -0.64 0.11 116.25 120.06 3hin h VAL 219 Ca 0.14 -3.00 -0.34 0.00 0.82 0.00 0.00 66.70 64.32 3hin h VAL 219 Cb 0.51 2.74 0.01 0.00 -1.52 0.00 0.00 31.29 33.04 3hin h VAL 219 CO 0.03 0.81 -1.68 -0.07 0.02 0.00 0.00 177.57 176.68 3hin h LEU 220 N 0.03 0.63 0.00 2.57 3.38 -0.65 -3.35 115.31 117.92 3hin h LEU 220 Ca -0.17 -0.93 -0.33 0.00 0.09 0.00 0.00 57.88 56.54 3hin h LEU 220 Cb 1.93 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 3hin h LEU 220 CO 0.14 1.76 -2.04 0.00 0.09 0.00 0.00 178.44 178.39 3hin n GLN 221 N -3.65 0.57 -0.03 1.13 1.13 0.11 -4.62 117.38 112.01 3hin n GLN 221 Ca -0.24 0.28 -0.14 0.00 -1.94 0.00 0.00 57.00 54.96 3hin n GLN 221 Cb 1.06 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.81 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 -0.96 0.05 -0.73 -1.58 0.00 -1.26 -3.33 119.26 111.45 3hin h ALA 222 Ca -0.50 -0.40 0.14 0.00 0.00 0.00 0.00 54.91 54.16 3hin h ALA 222 Cb 1.42 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 3hin h ALA 222 CO -0.30 0.00 -0.20 1.25 0.00 0.00 0.00 179.25 180.01 3hin h LEU 223 N -0.46 -0.72 -1.62 0.00 5.85 -0.92 0.90 115.31 118.33 3hin h LEU 223 Ca -0.01 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 3hin h LEU 223 Cb 0.84 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3hin h LEU 223 CO 0.03 -0.25 -0.21 -0.65 -0.34 0.00 0.00 178.44 177.02 3hin h PRO 224 N -0.01 0.00 0.16 5.25 0.11 -1.76 -0.92 132.00 134.83 3hin h PRO 224 Ca 0.34 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.24 3hin h PRO 224 Cb 0.54 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.67 3hin h PRO 224 CO -0.75 0.21 -0.95 0.52 -0.21 0.00 0.00 178.00 176.82 3hin h MET 225 N 0.00 0.36 -0.57 1.05 2.86 -1.36 -2.77 114.93 114.49 3hin h MET 225 Ca -0.00 -0.60 0.08 0.00 -2.06 0.00 0.00 59.70 57.11 3hin h MET 225 Cb 0.43 0.22 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 3hin h MET 225 CO 0.03 1.29 0.23 0.82 1.06 0.00 0.00 176.91 180.33 3hin h ILE 226 N -0.25 0.82 0.00 -1.22 2.04 -0.74 -2.11 117.51 116.05 3hin h ILE 226 Ca -0.17 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3hin h ILE 226 Cb 1.75 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3hin h ILE 226 CO 0.18 0.08 -0.28 0.00 0.00 0.00 0.00 178.15 178.13 3hin h ALA 227 N 1.37 1.36 -0.01 1.87 0.00 -1.16 -2.51 119.26 120.19 3hin h ALA 227 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hin h ALA 227 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hin h ALA 227 CO -0.26 0.35 -0.50 0.39 0.00 0.00 0.00 179.25 179.23 3hin n GLU 228 N -3.95 0.49 -1.79 0.00 1.02 -0.96 -4.95 120.64 110.50 3hin n GLU 228 Ca -0.02 -0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 56.48 3hin n GLU 228 Cb 0.35 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.74 2.76 0.23 0.62 0.00 -0.83 -5.00 121.76 116.80 3hin s ALA 229 Ca 0.16 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 3hin s ALA 229 Cb 0.18 -3.06 -0.14 0.00 0.00 0.00 0.00 23.12 20.10 3hin s ALA 229 CO 0.65 -1.22 1.22 -1.71 0.00 0.00 0.00 175.76 174.70 3hin n ASN 230 N -3.08 1.89 -0.26 0.00 4.05 -1.26 -4.62 115.26 111.98 3hin n ASN 230 Ca 0.07 1.15 0.07 0.00 0.45 0.00 0.00 54.58 56.32 3hin n ASN 230 Cb 0.56 -1.32 0.32 0.00 1.23 0.00 0.00 39.78 40.57 3hin n ASN 230 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3hin h PRO 231 N 3.30 0.82 -0.64 1.20 0.11 -1.94 0.16 132.00 135.01 3hin h PRO 231 Ca -0.43 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3hin h PRO 231 Cb 1.32 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3hin h PRO 231 CO 0.69 0.54 0.22 1.96 -0.21 0.00 0.00 178.00 181.21 3hin h GLN 232 N 0.84 0.95 -0.23 1.05 7.50 -2.00 0.73 115.11 123.96 3hin h GLN 232 Ca 0.39 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 59.35 3hin h GLN 232 Cb 0.38 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 3hin h GLN 232 CO -0.15 0.80 0.08 1.15 -1.50 0.00 0.00 178.83 179.21 3hin h THR 233 N 0.93 1.18 -0.67 -0.54 2.02 -1.27 -2.73 112.91 111.83 3hin h THR 233 Ca 0.21 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3hin h THR 233 Cb 0.23 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3hin h THR 233 CO -0.01 0.18 0.20 1.23 0.37 0.00 0.00 175.52 177.49 3hin h GLY 234 N 0.22 1.12 0.98 2.16 0.00 -0.21 0.05 103.07 107.38 3hin h GLY 234 Ca 0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 3hin h GLY 234 CO -0.00 0.61 0.24 1.41 0.00 0.00 0.00 176.54 178.80 3hin h LEU 235 N 1.00 0.74 -0.29 3.11 3.38 -0.83 0.30 115.31 122.72 3hin h LEU 235 Ca 0.22 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3hin h LEU 235 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hin h LEU 235 CO -0.01 0.69 -0.23 0.25 0.09 0.00 0.00 178.44 179.23 3hin h LEU 236 N 0.75 0.71 -1.47 1.67 5.85 -1.19 -1.18 115.31 120.45 3hin h LEU 236 Ca 0.19 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3hin h LEU 236 Cb 0.17 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3hin h LEU 236 CO -0.02 1.01 0.41 -0.03 -0.34 0.00 0.00 178.44 179.48 3hin h MET 237 N 0.42 0.65 -0.41 1.25 4.05 -0.66 -1.65 114.93 118.57 3hin h MET 237 Ca 0.05 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 3hin h MET 237 Cb 0.79 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3hin h MET 237 CO 0.06 0.43 0.03 1.49 0.23 0.00 0.00 176.91 179.15 3hin h GLU 238 N 0.67 0.71 -0.16 0.39 4.81 0.43 -1.03 114.58 120.40 3hin h GLU 238 Ca 0.26 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3hin h GLU 238 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3hin h GLU 238 CO -0.08 0.77 -0.14 0.77 -0.73 0.00 0.00 179.01 179.60 3hin h SER 239 N 0.55 0.24 -0.05 1.04 0.02 -0.34 -0.22 113.55 114.78 3hin h SER 239 Ca 0.12 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3hin h SER 239 Cb 0.43 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3hin h SER 239 CO 0.02 0.41 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.97 3hin h LEU 240 N 0.24 0.15 -0.90 5.07 -0.00 -1.15 -1.04 115.31 117.69 3hin h LEU 240 Ca 0.05 -0.52 0.03 0.00 -0.00 0.00 0.00 57.88 57.44 3hin h LEU 240 Cb 0.40 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.96 3hin h LEU 240 CO 0.02 0.64 0.58 -0.03 -0.00 0.00 0.00 178.44 179.66 3hin h MET 241 N -0.33 1.11 -0.37 1.13 4.05 -0.85 -2.42 114.93 117.25 3hin h MET 241 Ca 0.01 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 3hin h MET 241 Cb 0.60 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3hin h MET 241 CO 0.02 0.74 -0.10 0.00 0.23 0.00 0.00 176.91 177.79 3hin h ALA 242 N 1.36 0.51 -0.45 0.39 0.00 -1.00 -0.53 119.26 119.54 3hin h ALA 242 Ca 0.35 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hin h ALA 242 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hin h ALA 242 CO -0.11 0.37 -0.20 0.00 0.00 0.00 0.00 179.25 179.32 3hin h THR 243 N 0.52 1.27 0.44 0.00 1.03 -1.03 0.00 112.91 115.14 3hin h THR 243 Ca 0.09 -1.34 -0.02 0.00 -0.01 0.00 0.00 66.41 65.14 3hin h THR 243 Cb 0.61 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 3hin h THR 243 CO 0.04 0.46 -0.21 0.58 -0.01 0.00 0.00 175.52 176.38 3hin h VAL 244 N 0.79 0.56 -0.46 0.00 2.07 -1.36 -1.46 116.25 116.39 3hin h VAL 244 Ca 0.11 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3hin h VAL 244 Cb 0.74 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 3hin h VAL 244 CO 0.06 0.04 -0.40 0.00 0.02 0.00 0.00 177.57 177.29 3hin h ALA 245 N -0.20 -0.32 -0.18 1.67 0.00 -0.98 -2.19 119.26 117.07 3hin h ALA 245 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hin h ALA 245 Cb 0.51 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3hin h ALA 245 CO 0.10 -0.81 0.12 0.37 0.00 0.00 0.00 179.25 179.03 3hin h GLN 246 N -0.27 0.17 -0.01 0.00 -0.00 -1.00 -2.17 115.11 111.83 3hin h GLN 246 Ca 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 3hin h GLN 246 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.01 3hin h GLN 246 CO -0.61 0.11 -0.37 -1.13 0.00 0.00 0.00 178.83 176.84 3hin n SER 247 N -4.51 1.37 -4.76 -0.69 3.41 -0.55 -4.48 113.62 103.41 3hin n SER 247 Ca 0.00 -1.10 -0.36 0.00 -0.26 0.00 0.00 58.87 57.15 3hin n SER 247 Cb 0.13 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.53 5.50 0.16 4.04 2.15 -0.82 -4.87 116.67 120.31 3hin s ASP 248 Ca 0.21 2.40 -0.16 0.00 0.43 0.00 0.00 52.55 55.43 3hin s ASP 248 Cb 0.19 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 40.30 3hin s ASP 248 CO 0.56 -1.38 1.70 1.56 -0.17 0.00 0.00 175.17 177.44 3hin h GLN 249 N 1.29 0.12 -0.93 4.34 4.20 -1.89 -1.73 115.11 120.49 3hin h GLN 249 Ca -0.50 -0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.36 3hin h GLN 249 Cb 1.28 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.94 3hin h GLN 249 CO 0.57 0.08 0.54 1.49 -0.67 0.00 0.00 178.83 180.83 3hin h GLU 250 N 0.12 0.73 -0.16 1.46 4.22 -1.93 0.11 114.58 119.13 3hin h GLU 250 Ca 0.19 -0.04 -0.16 0.00 0.08 0.00 0.00 59.36 59.42 3hin h GLU 250 Cb 0.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hin h GLU 250 CO -0.30 0.49 -0.58 0.00 -2.18 0.00 0.00 179.01 176.44 3hin h ALA 251 N 1.58 0.70 -0.19 2.92 0.00 -1.62 -0.38 119.26 122.27 3hin h ALA 251 Ca 0.51 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hin h ALA 251 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hin h ALA 251 CO -0.35 0.70 -0.35 0.87 0.00 0.00 0.00 179.25 180.12 3hin h LYS 252 N 0.38 0.40 -0.22 0.00 1.79 -0.57 -0.40 116.57 117.95 3hin h LYS 252 Ca 0.00 -0.18 -0.15 0.00 -2.18 0.00 0.00 60.65 58.14 3hin h LYS 252 Cb 1.12 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3hin h LYS 252 CO 0.11 0.70 -0.45 1.15 -1.08 0.00 0.00 179.45 179.88 3hin h THR 253 N 0.34 1.31 -0.37 -0.16 2.02 -0.44 -1.49 112.91 114.13 3hin h THR 253 Ca 0.04 -1.66 -0.09 0.00 0.77 0.00 0.00 66.41 65.47 3hin h THR 253 Cb 0.78 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 3hin h THR 253 CO 0.06 0.52 -0.13 0.03 0.37 0.00 0.00 175.52 176.37 3hin h ARG 254 N 0.41 0.65 -0.43 6.66 3.08 -0.99 -1.65 114.38 122.10 3hin h ARG 254 Ca 0.01 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 3hin h ARG 254 Cb 1.05 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3hin h ARG 254 CO 0.10 0.76 0.08 0.97 -1.07 0.00 0.00 179.97 180.81 3hin h ILE 255 N 0.59 1.24 0.02 2.04 2.10 -0.98 -3.14 117.51 119.39 3hin h ILE 255 Ca 0.10 -0.86 -0.00 0.00 1.08 0.00 0.00 64.86 65.18 3hin h ILE 255 Cb 0.57 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 3hin h ILE 255 CO 0.04 0.30 -0.01 0.03 -1.08 0.00 0.00 178.15 177.42 3hin h ARG 256 N 0.57 -0.03 -0.31 2.19 2.47 -1.14 -1.73 114.38 116.40 3hin h ARG 256 Ca 0.13 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.90 3hin h ARG 256 Cb 0.36 0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.61 3hin h ARG 256 CO 0.01 0.59 -0.52 0.00 0.56 0.00 0.00 179.97 180.60 3hin h ALA 257 N 0.24 -0.74 -0.31 0.04 0.00 -1.44 0.60 119.26 117.65 3hin h ALA 257 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3hin h ALA 257 Cb 0.64 1.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 3hin h ALA 257 CO 0.01 -1.02 -0.33 0.35 0.00 0.00 0.00 179.25 178.25 3hin h PHE 258 N -0.45 -0.91 -0.38 0.00 3.04 -1.66 -2.62 116.94 113.96 3hin h PHE 258 Ca 0.07 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 3hin h PHE 258 Cb 0.63 0.45 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 3hin h PHE 258 CO -0.65 -0.39 0.10 1.25 -2.02 0.00 0.00 178.31 176.61 3hin h LEU 259 N -0.30 0.50 -1.18 0.59 6.46 -0.81 -2.79 115.31 117.77 3hin h LEU 259 Ca 0.15 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 3hin h LEU 259 Cb 0.54 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 3hin h LEU 259 CO -0.48 0.49 -0.33 0.44 -0.62 0.00 0.00 178.44 177.95 3hin h ASP 260 N 0.54 0.14 0.00 1.25 5.19 0.31 -3.51 116.42 120.34 3hin h ASP 260 Ca 0.13 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3hin h ASP 260 Cb 0.19 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3hin h ASP 260 CO -0.01 0.47 0.00 1.57 -3.12 0.00 0.00 179.24 178.15