#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inp s ILE 4 N 0.00 4.93 0.07 1.59 1.01 -1.26 -4.96 121.20 122.58 3inp s ILE 4 Ca 0.00 1.63 -0.16 0.00 0.00 0.00 0.00 60.65 62.12 3inp s ILE 4 Cb 0.00 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 3inp s ILE 4 CO 0.00 0.26 0.50 -1.10 0.00 0.00 0.00 174.94 174.60 3inp s GLN 5 N 0.65 4.04 -0.26 2.79 -0.21 -0.38 -4.99 119.66 121.30 3inp s GLN 5 Ca 0.41 0.55 0.03 0.00 0.02 0.00 0.00 55.36 56.37 3inp s GLN 5 Cb -0.19 -3.15 0.06 0.00 1.00 0.00 0.00 33.01 30.73 3inp s GLN 5 CO 0.21 0.62 -0.11 0.42 -2.12 0.00 0.00 175.29 174.31 3inp s ILE 6 N -1.20 2.20 -0.45 1.08 1.01 -1.26 -0.89 121.20 121.70 3inp s ILE 6 Ca 0.29 -1.62 0.02 0.00 0.00 0.00 0.00 60.65 59.35 3inp s ILE 6 Cb -0.17 -2.29 0.12 0.00 0.01 0.00 0.00 42.46 40.13 3inp s ILE 6 CO 0.17 -0.02 0.20 0.20 0.00 0.00 0.00 174.94 175.49 3inp s ASN 7 N 1.11 4.78 0.33 3.58 0.01 0.37 -0.85 114.94 124.27 3inp s ASN 7 Ca -0.09 -2.52 -0.29 0.00 -0.71 0.00 0.00 52.86 49.26 3inp s ASN 7 Cb -0.20 -1.70 -0.11 0.00 0.41 0.00 0.00 41.25 39.65 3inp s ASN 7 CO -0.05 -0.36 1.39 -2.84 -1.51 0.00 0.00 177.10 173.74 3inp s PRO 8 N 0.41 4.26 -0.33 -0.60 0.02 -1.19 -2.84 135.00 134.73 3inp s PRO 8 Ca 0.13 2.36 -0.21 0.00 0.02 0.00 0.00 61.00 63.30 3inp s PRO 8 Cb -0.22 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 3inp s PRO 8 CO -0.04 -0.35 0.66 0.45 -0.33 0.00 0.00 177.00 177.39 3inp s SER 9 N -0.23 6.49 0.24 2.53 0.15 -0.03 -0.90 113.70 121.95 3inp s SER 9 Ca 0.52 0.34 0.21 0.00 0.70 0.00 0.00 55.95 57.72 3inp s SER 9 Cb -0.43 -2.34 0.95 0.00 -1.71 0.00 0.00 66.02 62.50 3inp s SER 9 CO 0.55 -0.55 1.63 2.30 1.20 0.00 0.00 173.24 178.37 3inp n ILE 10 N 5.50 0.98 0.23 6.45 -5.35 -0.52 -2.17 119.36 124.49 3inp n ILE 10 Ca -0.00 0.42 0.14 0.00 -0.27 0.00 0.00 62.75 63.03 3inp n ILE 10 Cb 0.49 -1.36 0.78 0.00 -1.74 0.00 0.00 39.64 37.81 3inp n ILE 10 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3inp h LEU 11 N 0.00 0.00 -0.66 7.28 5.85 -1.93 -0.44 115.31 125.40 3inp h LEU 11 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3inp h LEU 11 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3inp h LEU 11 CO 0.00 0.00 -0.32 -1.20 -0.34 0.00 0.00 178.44 176.58 3inp n SER 12 N -4.11 1.35 -4.14 1.25 7.64 -0.92 -4.97 113.62 109.71 3inp n SER 12 Ca -0.00 -1.10 -0.30 0.00 1.01 0.00 0.00 58.87 58.48 3inp n SER 12 Cb 0.21 0.24 0.19 0.00 -1.01 0.00 0.00 64.21 63.84 3inp n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3inp s ALA 13 N -2.48 2.09 -0.76 -0.43 0.00 -0.18 -4.73 121.76 115.27 3inp s ALA 13 Ca 0.23 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 3inp s ALA 13 Cb 0.19 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.55 3inp s ALA 13 CO 0.53 -2.51 1.25 0.34 0.00 0.00 0.00 175.76 175.37 3inp s ASP 14 N -4.77 6.21 0.39 0.00 -1.08 -1.26 -4.86 116.67 111.29 3inp s ASP 14 Ca 0.73 -0.66 0.28 0.00 -0.52 0.00 0.00 52.55 52.38 3inp s ASP 14 Cb -0.05 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.17 3inp s ASP 14 CO 0.53 -1.73 1.84 -0.07 0.52 0.00 0.00 175.17 176.26 3inp h LEU 15 N 12.72 0.00 0.00 -1.34 3.38 -1.93 -1.19 115.31 126.96 3inp h LEU 15 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3inp h LEU 15 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3inp h LEU 15 CO 1.28 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 179.50 3inp n ALA 16 N -1.88 2.74 -2.84 1.53 0.00 -1.26 -4.08 120.51 114.73 3inp n ALA 16 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3inp n ALA 16 Cb 0.18 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.35 3inp n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3inp n ARG 17 N -1.93 1.09 -0.05 0.00 1.74 -0.54 -5.00 116.66 111.97 3inp n ARG 17 Ca 0.05 -2.99 -0.11 0.00 -0.77 0.00 0.00 57.85 54.02 3inp n ARG 17 Cb 0.40 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 3inp n ARG 17 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3inp h LEU 18 N 2.87 0.26 -0.48 0.55 5.85 -1.45 -1.32 115.31 121.58 3inp h LEU 18 Ca -0.06 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3inp h LEU 18 Cb 1.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3inp h LEU 18 CO 0.39 0.44 0.24 1.23 -0.34 0.00 0.00 178.44 180.41 3inp h GLY 19 N 0.07 0.67 1.00 3.75 0.00 -1.94 0.56 103.07 107.17 3inp h GLY 19 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3inp h GLY 19 CO 0.00 0.11 0.31 -1.80 0.00 0.00 0.00 176.54 175.16 3inp h ASP 20 N 0.48 0.82 -0.29 0.19 3.58 -1.92 -0.27 116.42 119.01 3inp h ASP 20 Ca 0.21 -0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.36 3inp h ASP 20 Cb 0.12 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 3inp h ASP 20 CO -0.15 0.72 -0.49 -0.78 -2.88 0.00 0.00 179.24 175.65 3inp h ASP 21 N 0.87 0.95 -0.26 2.28 3.58 -0.73 -2.03 116.42 121.08 3inp h ASP 21 Ca 0.22 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 3inp h ASP 21 Cb 0.11 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3inp h ASP 21 CO -0.03 1.28 0.08 0.58 -2.88 0.00 0.00 179.24 178.27 3inp h VAL 22 N 0.68 1.20 -0.78 2.25 2.07 -0.78 -0.93 116.25 119.96 3inp h VAL 22 Ca 0.03 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3inp h VAL 22 Cb 1.09 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3inp h VAL 22 CO 0.11 0.21 0.49 0.50 0.02 0.00 0.00 177.57 178.91 3inp h LYS 23 N 0.26 0.92 -0.40 1.57 3.64 -1.02 -1.48 116.57 120.06 3inp h LYS 23 Ca 0.08 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3inp h LYS 23 Cb 0.25 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3inp h LYS 23 CO -0.00 0.61 0.06 0.00 -2.27 0.00 0.00 179.45 177.85 3inp h ALA 24 N 1.34 0.53 -0.25 5.00 0.00 -1.16 -1.06 119.26 123.67 3inp h ALA 24 Ca 0.32 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3inp h ALA 24 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3inp h ALA 24 CO -0.13 0.25 -0.24 -0.24 0.00 0.00 0.00 179.25 178.89 3inp h VAL 25 N 0.51 1.26 -0.37 0.00 3.04 -0.75 -0.96 116.25 118.99 3inp h VAL 25 Ca 0.12 -1.24 -0.16 0.00 -1.01 0.00 0.00 66.70 64.42 3inp h VAL 25 Cb 0.37 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.98 3inp h VAL 25 CO 0.01 0.39 -0.38 -0.07 -1.01 0.00 0.00 177.57 176.51 3inp h LEU 26 N 0.42 0.97 -1.76 3.16 3.38 -1.18 -2.23 115.31 118.07 3inp h LEU 26 Ca 0.06 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3inp h LEU 26 Cb 0.65 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3inp h LEU 26 CO 0.05 1.24 -0.16 0.00 0.09 0.00 0.00 178.44 179.66 3inp h ALA 27 N 0.76 1.31 -0.00 1.53 0.00 -0.77 -2.37 119.26 119.71 3inp h ALA 27 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3inp h ALA 27 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3inp h ALA 27 CO 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 3inp n ALA 28 N -2.31 2.66 0.00 0.00 0.00 -0.40 -4.90 120.51 115.56 3inp n ALA 28 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3inp n ALA 28 Cb 0.27 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3inp n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3inp n GLY 29 N 1.10 0.98 3.76 0.00 0.00 -0.89 -4.35 105.19 105.79 3inp n GLY 29 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3inp n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inp s ALA 30 N -2.00 2.39 -0.09 4.61 0.00 -0.87 -4.91 121.76 120.89 3inp s ALA 30 Ca 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 3inp s ALA 30 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3inp s ALA 30 CO 0.00 -1.41 -0.15 -0.25 0.00 0.00 0.00 175.76 173.95 3inp n ASP 31 N -2.48 1.04 -4.36 0.00 8.00 -0.03 -4.71 116.55 114.02 3inp n ASP 31 Ca 0.11 0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.74 3inp n ASP 31 Cb 0.52 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 3inp n ASP 31 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3inp s ASN 32 N -4.91 2.59 -0.20 -2.24 0.01 -1.25 -4.36 114.94 104.58 3inp s ASN 32 Ca -0.12 -1.04 -0.10 0.00 -0.71 0.00 0.00 52.86 50.89 3inp s ASN 32 Cb 0.02 -0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.49 3inp s ASN 32 CO 0.18 -0.19 0.13 -0.63 -1.51 0.00 0.00 177.10 175.08 3inp s ILE 33 N -2.98 5.40 -0.15 0.60 -1.09 -0.07 -3.15 121.20 119.75 3inp s ILE 33 Ca 0.23 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.80 3inp s ILE 33 Cb -0.00 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 3inp s ILE 33 CO 0.07 0.44 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.92 3inp s HIS 34 N 0.35 3.06 -0.29 3.97 5.65 -0.08 -0.85 115.29 127.11 3inp s HIS 34 Ca 0.08 -0.20 -0.04 0.00 0.25 0.00 0.00 55.06 55.15 3inp s HIS 34 Cb -0.11 -1.95 0.03 0.00 -1.18 0.00 0.00 32.58 29.37 3inp s HIS 34 CO -0.02 0.04 0.02 -0.06 -0.65 0.00 0.00 174.74 174.08 3inp s PHE 35 N 0.23 3.17 -0.63 3.88 0.40 0.38 -1.44 117.98 123.98 3inp s PHE 35 Ca -0.01 -1.47 -0.18 0.00 -0.60 0.00 0.00 56.93 54.66 3inp s PHE 35 Cb -0.14 -2.16 0.12 0.00 0.51 0.00 0.00 43.02 41.36 3inp s PHE 35 CO 0.02 -0.71 0.71 -0.51 0.70 0.00 0.00 175.22 175.43 3inp s ASP 36 N 1.36 6.27 -0.24 1.36 1.01 -1.26 -0.51 116.67 124.66 3inp s ASP 36 Ca -0.01 -1.66 -0.18 0.00 0.71 0.00 0.00 52.55 51.41 3inp s ASP 36 Cb -0.18 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3inp s ASP 36 CO -0.00 -1.02 0.52 -0.69 0.21 0.00 0.00 175.17 174.18 3inp s VAL 37 N 2.27 5.08 -0.03 -1.27 1.01 -0.19 -4.66 120.40 122.62 3inp s VAL 37 Ca 0.12 0.92 0.04 0.00 0.00 0.00 0.00 61.98 63.06 3inp s VAL 37 Cb -0.22 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3inp s VAL 37 CO 0.03 0.12 -0.16 -0.04 0.00 0.00 0.00 175.10 175.05 3inp s MET 38 N 2.04 1.52 -0.06 2.72 -1.94 -1.26 0.37 119.30 122.70 3inp s MET 38 Ca 0.22 -0.57 0.14 0.00 -1.71 0.00 0.00 55.69 53.78 3inp s MET 38 Cb -0.15 -1.38 0.46 0.00 2.01 0.00 0.00 34.83 35.76 3inp s MET 38 CO 0.09 0.28 1.38 -0.40 -0.01 0.00 0.00 175.02 176.36 3inp n ASP 39 N 2.97 3.55 0.00 3.03 5.75 -1.17 -2.47 116.55 128.20 3inp n ASP 39 Ca -0.17 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 3inp n ASP 39 Cb 0.54 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 3inp n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3inp n ASN 40 N 0.52 -1.33 -0.02 -1.12 5.15 0.50 -4.75 115.26 114.21 3inp n ASN 40 Ca 0.17 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.08 3inp n ASN 40 Cb 0.62 -1.77 -0.02 0.00 -0.53 0.00 0.00 39.78 38.08 3inp n ASN 40 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3inp n HIS 41 N -2.10 0.00 -0.00 1.20 8.25 -1.26 -4.66 115.22 116.64 3inp n HIS 41 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3inp n HIS 41 Cb 0.08 -0.27 0.16 0.00 1.12 0.00 0.00 29.99 31.09 3inp n HIS 41 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3inp h TYR 42 N -0.36 0.61 -3.68 4.41 3.20 -1.85 -3.44 116.97 115.85 3inp h TYR 42 Ca -0.12 -0.14 -0.31 0.00 3.14 0.00 0.00 58.73 61.29 3inp h TYR 42 Cb 0.78 -0.14 -0.17 0.00 1.54 0.00 0.00 36.73 38.73 3inp h TYR 42 CO -0.10 0.77 -0.73 0.14 -1.64 0.00 0.00 178.16 176.60 3inp s VAL 43 N -4.44 0.96 -0.16 1.81 -7.23 -1.26 -4.99 120.40 105.08 3inp s VAL 43 Ca -0.07 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 3inp s VAL 43 Cb 0.13 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 3inp s VAL 43 CO 0.80 -0.61 2.62 -0.81 -0.31 0.00 0.00 175.10 176.79 3inp n PRO 44 N 0.39 1.75 -3.98 4.82 -0.04 -1.26 -3.26 135.00 133.42 3inp n PRO 44 Ca -0.15 -1.11 -0.09 0.00 -0.04 0.00 0.00 63.50 62.12 3inp n PRO 44 Cb 0.58 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 3inp n PRO 44 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3inp s ASN 45 N 1.26 -0.11 -0.08 3.54 3.84 -1.26 -4.96 114.94 117.16 3inp s ASN 45 Ca 0.38 -0.88 0.02 0.00 0.21 0.00 0.00 52.86 52.59 3inp s ASN 45 Cb 0.22 0.60 0.01 0.00 -0.55 0.00 0.00 41.25 41.53 3inp s ASN 45 CO -0.04 -1.15 -0.14 -0.22 -2.79 0.00 0.00 177.10 172.76 3inp s LEU 46 N -3.00 1.69 0.00 3.21 2.96 -1.26 -0.37 118.68 121.91 3inp s LEU 46 Ca 0.21 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3inp s LEU 46 Cb -0.01 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.74 3inp s LEU 46 CO 0.08 0.04 0.00 0.35 -1.32 0.00 0.00 176.35 175.50 3inp n THR 47 N 3.89 0.00 -3.75 3.68 -2.24 -1.03 -4.95 114.28 109.88 3inp n THR 47 Ca -0.21 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3inp n THR 47 Cb 0.52 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 3inp n THR 47 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3inp s PHE 48 N 0.00 -0.24 0.58 4.78 -0.12 -1.26 -4.99 117.98 116.73 3inp s PHE 48 Ca 0.00 0.42 0.04 0.00 -0.05 0.00 0.00 56.93 57.34 3inp s PHE 48 Cb 0.00 0.12 0.11 0.00 -0.63 0.00 0.00 43.02 42.62 3inp s PHE 48 CO 0.00 -0.37 0.80 0.41 -0.05 0.00 0.00 175.22 176.01 3inp n GLY 49 N 1.51 1.31 0.28 1.99 0.00 -1.26 -4.65 105.19 104.36 3inp n GLY 49 Ca -0.20 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 43.83 3inp n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3inp h PRO 50 N 0.00 0.00 0.00 1.61 0.13 -1.95 -2.05 132.00 129.74 3inp h PRO 50 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3inp h PRO 50 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3inp h PRO 50 CO 0.33 0.02 -0.11 0.00 -0.23 0.00 0.00 178.00 178.01 3inp h MET 51 N 0.00 0.00 -0.28 0.86 -0.00 -1.94 -1.36 114.93 112.21 3inp h MET 51 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 3inp h MET 51 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 3inp h MET 51 CO 0.00 0.11 -0.56 0.28 -0.00 0.00 0.00 176.91 176.74 3inp h VAL 52 N 0.00 1.28 -0.28 -0.10 2.07 -1.75 -0.82 116.25 116.65 3inp h VAL 52 Ca -0.00 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 3inp h VAL 52 Cb 0.27 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3inp h VAL 52 CO 0.01 0.57 0.05 0.25 0.02 0.00 0.00 177.57 178.47 3inp h LEU 53 N 0.65 0.44 -0.91 2.57 6.46 -1.49 -2.15 115.31 120.87 3inp h LEU 53 Ca 0.01 -0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 3inp h LEU 53 Cb 1.16 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 3inp h LEU 53 CO 0.12 0.58 0.59 0.50 -0.62 0.00 0.00 178.44 179.61 3inp h LYS 54 N 0.28 1.09 -0.95 1.25 1.63 -1.24 -1.26 116.57 117.38 3inp h LYS 54 Ca 0.09 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3inp h LYS 54 Cb 0.32 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 3inp h LYS 54 CO 0.00 0.72 0.61 0.00 -3.45 0.00 0.00 179.45 177.33 3inp h ALA 55 N 1.39 1.29 -0.21 5.00 0.00 -0.90 0.08 119.26 125.90 3inp h ALA 55 Ca 0.37 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 3inp h ALA 55 Cb 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3inp h ALA 55 CO -0.14 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 179.26 3inp h LEU 56 N 1.29 0.53 -0.43 0.00 3.38 -0.65 -0.81 115.31 118.63 3inp h LEU 56 Ca 0.34 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3inp h LEU 56 Cb -0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3inp h LEU 56 CO -0.07 0.89 0.13 0.03 0.09 0.00 0.00 178.44 179.51 3inp h ARG 57 N 0.41 0.68 0.00 1.13 2.47 -0.64 -1.81 114.38 116.61 3inp h ARG 57 Ca 0.03 -0.15 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 3inp h ARG 57 Cb 0.92 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.13 3inp h ARG 57 CO 0.08 0.67 -0.25 -0.44 0.56 0.00 0.00 179.97 180.58 3inp h ASP 58 N 0.56 0.00 1.10 7.04 3.32 -0.79 -1.77 116.42 125.88 3inp h ASP 58 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3inp h ASP 58 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3inp h ASP 58 CO -0.00 0.25 0.00 0.22 -1.72 0.00 0.00 179.24 177.99 3inp h TYR 59 N 0.00 0.00 0.00 4.55 3.20 -0.81 -3.46 116.97 120.44 3inp h TYR 59 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3inp h TYR 59 Cb 0.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3inp h TYR 59 CO 0.00 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.93 3inp n GLY 60 N 0.17 1.19 3.67 1.82 0.00 -0.66 -5.08 105.19 106.29 3inp n GLY 60 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3inp n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3inp s ILE 61 N -2.00 4.12 -1.23 -0.61 -1.09 -0.71 -4.87 121.20 114.81 3inp s ILE 61 Ca 0.00 1.39 0.14 0.00 -2.23 0.00 0.00 60.65 59.95 3inp s ILE 61 Cb 0.00 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 3inp s ILE 61 CO 0.00 -0.08 0.76 0.35 -1.23 0.00 0.00 174.94 174.74 3inp n THR 62 N 5.15 0.00 -0.92 2.92 -2.24 -1.26 -4.48 114.28 113.44 3inp n THR 62 Ca 0.14 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 3inp n THR 62 Cb 0.45 1.15 0.15 0.00 -2.10 0.00 0.00 70.33 69.98 3inp n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3inp s ALA 63 N -1.72 1.48 0.53 6.98 0.00 -1.26 -4.95 121.76 122.82 3inp s ALA 63 Ca 0.11 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 3inp s ALA 63 Cb 0.11 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 3inp s ALA 63 CO 0.36 -2.54 1.37 0.20 0.00 0.00 0.00 175.76 175.15 3inp s GLY 64 N -2.99 2.89 -0.26 0.00 0.00 -1.26 -4.84 107.32 100.86 3inp s GLY 64 Ca 0.65 1.36 0.01 0.00 0.00 0.00 0.00 44.72 46.74 3inp s GLY 64 CO 0.58 1.90 -0.01 1.06 0.00 0.00 0.00 173.10 176.63 3inp s MET 65 N -2.82 1.38 -0.23 2.90 1.00 -1.26 -0.89 119.30 119.39 3inp s MET 65 Ca 0.69 -1.10 -0.14 0.00 0.00 0.00 0.00 55.69 55.14 3inp s MET 65 Cb -0.41 -2.55 -0.04 0.00 0.00 0.00 0.00 34.83 31.83 3inp s MET 65 CO 0.49 -0.72 0.34 -0.51 0.00 0.00 0.00 175.02 174.62 3inp s ASP 66 N 1.39 6.31 -0.18 3.03 1.01 -0.03 -0.66 116.67 127.54 3inp s ASP 66 Ca -0.00 0.36 -0.05 0.00 0.71 0.00 0.00 52.55 53.56 3inp s ASP 66 Cb -0.18 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 3inp s ASP 66 CO -0.10 -0.08 0.01 -0.69 0.21 0.00 0.00 175.17 174.52 3inp s VAL 67 N 1.48 4.18 -0.35 -1.27 1.01 -0.12 -0.47 120.40 124.87 3inp s VAL 67 Ca 0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 3inp s VAL 67 Cb -0.15 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3inp s VAL 67 CO 0.08 0.45 0.11 -2.28 0.00 0.00 0.00 175.10 173.46 3inp s HIS 68 N 0.63 3.31 -0.53 5.22 2.46 0.33 -1.13 115.29 125.58 3inp s HIS 68 Ca 0.00 -1.68 -0.24 0.00 0.47 0.00 0.00 55.06 53.61 3inp s HIS 68 Cb -0.14 -2.43 0.04 0.00 -0.13 0.00 0.00 32.58 29.92 3inp s HIS 68 CO 0.02 -0.79 0.90 -0.51 -2.47 0.00 0.00 174.74 171.89 3inp s LEU 69 N 1.33 4.18 -0.99 8.88 1.43 0.04 -1.02 118.68 132.53 3inp s LEU 69 Ca -0.01 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3inp s LEU 69 Cb -0.20 -2.84 0.31 0.00 0.03 0.00 0.00 46.19 43.49 3inp s LEU 69 CO 0.01 -1.16 1.46 0.23 0.23 0.00 0.00 176.35 177.12 3inp n MET 70 N 7.27 4.45 -4.11 1.70 2.81 0.16 -3.95 117.12 125.44 3inp n MET 70 Ca 0.01 -4.62 -0.08 0.00 -1.81 0.00 0.00 57.70 51.20 3inp n MET 70 Cb 0.47 -2.46 -0.10 0.00 -0.71 0.00 0.00 33.22 30.43 3inp n MET 70 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3inp s VAL 71 N -3.24 0.16 -0.27 2.03 -7.23 -1.26 -3.07 120.40 107.52 3inp s VAL 71 Ca 0.35 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 3inp s VAL 71 Cb 0.11 -1.75 0.11 0.00 0.56 0.00 0.00 36.38 35.41 3inp s VAL 71 CO 0.02 -0.75 0.60 -0.75 -0.31 0.00 0.00 175.10 173.91 3inp s LYS 72 N -3.98 0.54 0.90 4.82 2.20 -1.26 -4.60 119.74 118.36 3inp s LYS 72 Ca 0.15 1.31 -0.15 0.00 -0.36 0.00 0.00 55.97 56.92 3inp s LYS 72 Cb 0.08 0.63 0.22 0.00 -1.51 0.00 0.00 37.83 37.24 3inp s LYS 72 CO -0.05 -0.20 0.96 -0.35 -0.36 0.00 0.00 175.35 175.35 3inp n PRO 73 N 5.23 -1.99 0.00 4.03 -0.04 -1.26 -4.73 135.00 136.24 3inp n PRO 73 Ca -0.13 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 3inp n PRO 73 Cb 0.51 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 3inp n PRO 73 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3inp n VAL 74 N -3.99 0.00 -0.21 0.52 0.24 -1.26 -4.84 118.33 108.80 3inp n VAL 74 Ca 0.13 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.34 62.25 3inp n VAL 74 Cb 0.47 0.57 0.03 0.00 -1.47 0.00 0.00 33.84 33.43 3inp n VAL 74 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3inp h ASP 75 N 0.00 0.85 -0.81 -1.34 3.32 -1.98 -1.15 116.42 115.31 3inp h ASP 75 Ca 0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3inp h ASP 75 Cb 0.00 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3inp h ASP 75 CO 0.00 0.82 0.40 0.00 -1.72 0.00 0.00 179.24 178.75 3inp h ALA 76 N 1.06 1.04 -0.01 3.45 0.00 -2.00 -2.33 119.26 120.46 3inp h ALA 76 Ca 0.19 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3inp h ALA 76 Cb 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3inp h ALA 76 CO -0.01 0.59 -0.63 -0.07 0.00 0.00 0.00 179.25 179.14 3inp h LEU 77 N 1.14 0.07 -0.46 0.00 3.38 -1.83 -1.88 115.31 115.73 3inp h LEU 77 Ca 0.28 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.24 3inp h LEU 77 Cb 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3inp h LEU 77 CO -0.04 0.68 0.24 0.40 0.09 0.00 0.00 178.44 179.81 3inp h ILE 78 N 0.04 0.99 -0.25 1.22 2.04 -0.86 -0.54 117.51 120.15 3inp h ILE 78 Ca -0.01 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 3inp h ILE 78 Cb 1.13 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3inp h ILE 78 CO 0.09 0.09 -0.04 -0.33 0.00 0.00 0.00 178.15 177.95 3inp h GLU 79 N 0.48 0.47 -0.38 2.37 5.08 -1.18 -1.31 114.58 120.11 3inp h GLU 79 Ca 0.20 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 3inp h GLU 79 Cb 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3inp h GLU 79 CO -0.12 0.68 -0.37 0.66 -1.00 0.00 0.00 179.01 178.85 3inp h SER 80 N 0.22 0.96 -0.25 1.42 4.64 -1.29 -1.36 113.55 117.89 3inp h SER 80 Ca 0.06 -0.43 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 3inp h SER 80 Cb 0.50 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3inp h SER 80 CO 0.02 1.22 -0.21 -0.26 -0.87 0.00 0.00 176.83 176.73 3inp h PHE 81 N 0.74 0.80 -0.11 4.77 0.04 -1.07 -1.09 116.94 121.02 3inp h PHE 81 Ca 0.06 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 3inp h PHE 81 Cb 0.96 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 3inp h PHE 81 CO 0.06 0.86 0.05 0.00 -0.60 0.00 0.00 178.31 178.68 3inp h ALA 82 N 1.14 0.15 -0.09 2.45 0.00 -1.15 -1.82 119.26 119.95 3inp h ALA 82 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3inp h ALA 82 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3inp h ALA 82 CO 0.05 -0.29 -0.18 0.87 0.00 0.00 0.00 179.25 179.70 3inp h LYS 83 N 0.05 0.14 0.00 0.00 1.57 -1.13 -2.02 116.57 115.18 3inp h LYS 83 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3inp h LYS 83 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3inp h LYS 83 CO -0.00 0.33 -0.06 0.00 -0.57 0.00 0.00 179.45 179.15 3inp h ALA 84 N 1.68 1.02 0.00 3.86 0.00 -0.93 -3.46 119.26 121.43 3inp h ALA 84 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3inp h ALA 84 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3inp h ALA 84 CO 0.03 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3inp n GLY 85 N 0.03 1.39 3.75 0.00 0.00 -0.76 -4.02 105.19 105.58 3inp n GLY 85 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3inp n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inp s ALA 86 N -1.54 2.86 -0.37 4.61 0.00 -0.71 -4.73 121.76 121.88 3inp s ALA 86 Ca 0.00 1.27 0.18 0.00 0.00 0.00 0.00 51.96 53.41 3inp s ALA 86 Cb 0.00 -3.54 -0.25 0.00 0.00 0.00 0.00 23.12 19.34 3inp s ALA 86 CO 0.00 -1.24 0.55 0.25 0.00 0.00 0.00 175.76 175.32 3inp n THR 87 N -0.91 0.00 -3.68 0.00 -2.24 0.16 -4.85 114.28 102.78 3inp n THR 87 Ca 0.10 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 3inp n THR 87 Cb 0.45 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 3inp n THR 87 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3inp s SER 88 N -3.50 -0.39 -0.02 3.42 1.04 -1.19 -2.16 113.70 110.90 3inp s SER 88 Ca -0.01 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.86 3inp s SER 88 Cb 0.12 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3inp s SER 88 CO 0.75 -0.45 -0.00 -0.63 0.98 0.00 0.00 173.24 173.88 3inp s ILE 89 N -1.02 0.16 0.11 -1.02 1.01 -0.28 -0.94 121.20 119.22 3inp s ILE 89 Ca -0.10 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.70 3inp s ILE 89 Cb -0.03 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 3inp s ILE 89 CO 0.05 0.13 -0.21 0.68 0.00 0.00 0.00 174.94 175.60 3inp s VAL 90 N 0.88 1.74 0.18 2.92 -7.23 -0.28 -2.32 120.40 116.29 3inp s VAL 90 Ca -0.09 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 3inp s VAL 90 Cb -0.12 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 3inp s VAL 90 CO -0.02 -0.10 0.18 0.72 -0.31 0.00 0.00 175.10 175.57 3inp s PHE 91 N -1.32 0.84 -0.07 2.82 -0.12 -1.11 -0.78 117.98 118.24 3inp s PHE 91 Ca 0.08 -1.15 -0.20 0.00 -0.05 0.00 0.00 56.93 55.61 3inp s PHE 91 Cb -0.09 -0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 3inp s PHE 91 CO 0.05 -0.66 0.57 -1.01 -0.05 0.00 0.00 175.22 174.12 3inp s HIS 92 N -4.08 3.59 0.36 3.49 3.76 -1.25 -0.75 115.29 120.41 3inp s HIS 92 Ca 0.29 1.08 0.09 0.00 -0.15 0.00 0.00 55.06 56.37 3inp s HIS 92 Cb 0.06 -2.63 0.83 0.00 1.11 0.00 0.00 32.58 31.95 3inp s HIS 92 CO 0.06 0.22 1.87 -1.00 -0.85 0.00 0.00 174.74 175.05 3inp h PRO 93 N 6.33 0.66 0.00 8.40 0.13 -1.94 0.15 132.00 145.73 3inp h PRO 93 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3inp h PRO 93 Cb 1.19 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3inp h PRO 93 CO 0.73 0.44 0.00 0.93 -0.23 0.00 0.00 178.00 179.87 3inp h GLU 94 N 0.68 0.00 -0.00 0.86 3.07 -1.93 -2.98 114.58 114.27 3inp h GLU 94 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3inp h GLU 94 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3inp h GLU 94 CO -0.20 0.00 -0.24 0.00 -1.40 0.00 0.00 179.01 177.17 3inp n ALA 95 N -1.97 3.02 -3.03 3.43 0.00 0.51 -4.81 120.51 117.66 3inp n ALA 95 Ca -0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 3inp n ALA 95 Cb 0.18 -1.21 -0.16 0.00 0.00 0.00 0.00 19.45 18.26 3inp n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3inp s SER 96 N -2.60 1.86 0.15 0.00 0.15 -1.13 -4.13 113.70 108.02 3inp s SER 96 Ca 0.23 -0.30 0.27 0.00 0.70 0.00 0.00 55.95 56.84 3inp s SER 96 Cb 0.19 -0.57 0.93 0.00 -1.71 0.00 0.00 66.02 64.85 3inp s SER 96 CO 0.54 0.11 1.81 -0.62 1.20 0.00 0.00 173.24 176.28 3inp n GLU 97 N 3.29 0.19 -3.36 5.44 -0.58 -1.26 -4.23 120.64 120.14 3inp n GLU 97 Ca -0.19 0.17 -0.26 0.00 -0.42 0.00 0.00 57.16 56.46 3inp n GLU 97 Cb 0.53 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.59 3inp n GLU 97 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3inp n HIS 98 N -2.05 -0.23 -0.20 -0.32 8.25 -1.26 -5.00 115.22 114.40 3inp n HIS 98 Ca 0.06 -3.50 0.01 0.00 -0.26 0.00 0.00 57.72 54.03 3inp n HIS 98 Cb 0.40 -0.05 0.11 0.00 1.12 0.00 0.00 29.99 31.57 3inp n HIS 98 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3inp h ILE 99 N 3.61 0.62 -0.53 1.59 2.04 -1.89 -1.77 117.51 121.17 3inp h ILE 99 Ca 0.19 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3inp h ILE 99 Cb 0.88 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3inp h ILE 99 CO 0.45 0.04 0.18 -0.78 0.00 0.00 0.00 178.15 178.05 3inp h ASP 100 N 0.25 0.76 -0.66 1.72 3.58 -1.96 -1.28 116.42 118.82 3inp h ASP 100 Ca 0.32 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3inp h ASP 100 Cb 0.49 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 3inp h ASP 100 CO -0.42 0.75 0.31 -0.09 -2.88 0.00 0.00 179.24 176.91 3inp h ARG 101 N 0.73 0.96 -0.73 0.28 1.12 -1.83 -0.72 114.38 114.19 3inp h ARG 101 Ca 0.17 -0.15 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 3inp h ARG 101 Cb 0.25 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 30.00 3inp h ARG 101 CO -0.01 0.77 0.31 0.77 -3.11 0.00 0.00 179.97 178.70 3inp h SER 102 N 0.92 0.99 -0.48 -3.80 0.02 -0.97 0.55 113.55 110.77 3inp h SER 102 Ca 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3inp h SER 102 Cb 0.13 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3inp h SER 102 CO -0.03 0.88 0.17 -0.07 -1.14 0.00 0.00 176.83 176.63 3inp h LEU 103 N 1.04 0.68 -1.05 5.07 3.38 -0.94 -2.27 115.31 121.21 3inp h LEU 103 Ca 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3inp h LEU 103 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3inp h LEU 103 CO -0.02 0.69 0.50 1.56 0.09 0.00 0.00 178.44 181.26 3inp h GLN 104 N 0.64 1.15 -0.30 1.13 4.20 -0.75 -1.45 115.11 119.73 3inp h GLN 104 Ca 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3inp h GLN 104 Cb 0.24 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3inp h GLN 104 CO -0.01 0.82 0.19 1.25 -0.67 0.00 0.00 178.83 180.41 3inp h LEU 105 N 1.17 0.33 -0.17 1.46 5.85 -0.59 0.33 115.31 123.68 3inp h LEU 105 Ca 0.30 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3inp h LEU 105 Cb -0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3inp h LEU 105 CO -0.06 0.24 0.02 0.40 -0.34 0.00 0.00 178.44 178.70 3inp h ILE 106 N 0.39 0.90 0.00 4.05 2.04 -0.96 -2.27 117.51 121.67 3inp h ILE 106 Ca 0.11 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3inp h ILE 106 Cb -0.04 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3inp h ILE 106 CO -0.03 0.01 -0.08 0.11 0.00 0.00 0.00 178.15 178.16 3inp h LYS 107 N 0.08 0.00 0.00 2.37 1.57 -0.89 -1.80 116.57 117.90 3inp h LYS 107 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3inp h LYS 107 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3inp h LYS 107 CO -0.12 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.50 3inp h SER 108 N 0.00 0.00 -0.18 0.86 4.64 -0.31 -0.79 113.55 117.77 3inp h SER 108 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3inp h SER 108 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3inp h SER 108 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 3inp n PHE 109 N -2.89 0.24 -1.37 4.77 3.72 -0.68 -4.93 117.46 116.32 3inp n PHE 109 Ca -0.01 -0.12 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 3inp n PHE 109 Cb 0.19 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 3inp n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3inp n GLY 110 N 1.12 0.73 3.71 1.37 0.00 -0.30 -5.03 105.19 106.79 3inp n GLY 110 Ca 0.16 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3inp n GLY 110 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3inp s ILE 111 N -2.26 1.63 0.24 -0.61 -4.36 -1.26 -5.08 121.20 109.50 3inp s ILE 111 Ca 0.00 -1.94 -0.30 0.00 -0.26 0.00 0.00 60.65 58.15 3inp s ILE 111 Cb 0.00 -2.57 -0.09 0.00 1.25 0.00 0.00 42.46 41.05 3inp s ILE 111 CO 0.00 0.00 1.06 -1.10 0.24 0.00 0.00 174.94 175.14 3inp s GLN 112 N -3.84 4.68 0.21 0.37 -0.21 -0.92 -4.37 119.66 115.58 3inp s GLN 112 Ca 0.22 1.71 0.11 0.00 0.02 0.00 0.00 55.36 57.42 3inp s GLN 112 Cb 0.05 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 3inp s GLN 112 CO 0.12 0.24 -0.21 0.00 -2.12 0.00 0.00 175.29 173.32 3inp s ALA 113 N -0.90 2.43 -0.02 6.09 0.00 -1.26 -1.12 121.76 126.98 3inp s ALA 113 Ca 0.45 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 3inp s ALA 113 Cb -0.30 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3inp s ALA 113 CO 0.37 0.32 0.71 0.41 0.00 0.00 0.00 175.76 177.57 3inp n GLY 114 N -0.02 0.36 3.33 0.00 0.00 -0.98 -0.09 105.19 107.80 3inp n GLY 114 Ca -0.10 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 3inp n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3inp s LEU 115 N 0.00 2.22 -0.06 0.99 1.43 -1.16 -2.74 118.68 119.36 3inp s LEU 115 Ca 0.17 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3inp s LEU 115 Cb -0.00 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3inp s LEU 115 CO -0.01 0.20 -0.05 0.00 0.23 0.00 0.00 176.35 176.72 3inp s ALA 116 N -0.90 3.07 -0.13 4.21 0.00 0.07 -0.79 121.76 127.29 3inp s ALA 116 Ca 0.11 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3inp s ALA 116 Cb -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3inp s ALA 116 CO 0.03 0.58 -0.20 -0.51 0.00 0.00 0.00 175.76 175.67 3inp s LEU 117 N -0.93 1.99 0.86 0.00 1.43 0.16 -4.20 118.68 118.00 3inp s LEU 117 Ca 0.13 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 3inp s LEU 117 Cb -0.11 -1.34 0.11 0.00 0.03 0.00 0.00 46.19 44.88 3inp s LEU 117 CO 0.03 0.07 1.11 0.20 0.23 0.00 0.00 176.35 177.98 3inp s ASN 118 N 0.84 3.61 0.29 2.29 0.02 -1.26 -1.48 114.94 119.24 3inp s ASN 118 Ca -0.08 1.93 0.03 0.00 -1.02 0.00 0.00 52.86 53.73 3inp s ASN 118 Cb -0.15 -2.50 0.67 0.00 0.02 0.00 0.00 41.25 39.29 3inp s ASN 118 CO -0.01 -2.62 1.76 -0.65 0.02 0.00 0.00 177.10 175.60 3inp h PRO 119 N -1.54 0.66 0.00 -0.60 0.11 -1.84 0.19 132.00 128.98 3inp h PRO 119 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3inp h PRO 119 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3inp h PRO 119 CO 0.47 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3inp h ALA 120 N 1.63 1.00 -2.54 -0.75 0.00 -1.93 -3.46 119.26 113.21 3inp h ALA 120 Ca 0.54 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.90 3inp h ALA 120 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3inp h ALA 120 CO -0.39 0.00 0.25 0.99 0.00 0.00 0.00 179.25 180.09 3inp s THR 121 N -3.19 4.94 0.44 0.00 2.01 0.05 -5.05 115.64 114.84 3inp s THR 121 Ca 0.08 1.79 -0.05 0.00 0.31 0.00 0.00 61.69 63.82 3inp s THR 121 Cb 0.11 -4.20 0.10 0.00 0.01 0.00 0.00 72.50 68.52 3inp s THR 121 CO 0.52 0.20 0.60 0.61 -0.69 0.00 0.00 174.62 175.87 3inp n GLY 122 N 2.97 -0.59 1.10 4.40 0.00 -1.26 -4.73 105.19 107.08 3inp n GLY 122 Ca 0.03 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.36 3inp n GLY 122 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3inp n ILE 123 N -2.62 0.60 0.22 -0.61 -5.35 -1.26 -4.40 119.36 105.93 3inp n ILE 123 Ca 0.08 -0.80 0.12 0.00 -0.27 0.00 0.00 62.75 61.89 3inp n ILE 123 Cb 0.29 0.88 0.72 0.00 -1.74 0.00 0.00 39.64 39.79 3inp n ILE 123 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3inp h ASP 124 N 4.07 0.00 0.28 7.28 3.32 -2.04 -1.41 116.42 127.93 3inp h ASP 124 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3inp h ASP 124 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3inp h ASP 124 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3inp h LEU 126 N 0.00 0.00 -0.03 0.00 3.38 -1.59 -3.41 115.31 113.66 3inp h LEU 126 Ca 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3inp h LEU 126 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3inp h LEU 126 CO 0.00 0.02 -0.05 0.50 0.09 0.00 0.00 178.44 179.00 3inp h LYS 127 N 0.00 -0.07 -0.01 1.13 3.64 -1.59 -2.79 116.57 116.88 3inp h LYS 127 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3inp h LYS 127 Cb 0.88 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3inp h LYS 127 CO 0.00 -0.05 -0.35 0.66 -2.27 0.00 0.00 179.45 177.45 3inp n TYR 128 N -5.16 0.00 -0.20 1.91 4.01 -1.26 -3.95 117.16 112.50 3inp n TYR 128 Ca -0.06 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 3inp n TYR 128 Cb 0.09 -0.07 0.15 0.00 -0.31 0.00 0.00 39.34 39.20 3inp n TYR 128 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3inp n VAL 129 N -0.39 1.05 -0.34 -0.72 0.24 -1.19 -4.77 118.33 112.20 3inp n VAL 129 Ca 0.11 -1.03 0.22 0.00 -2.04 0.00 0.00 64.34 61.59 3inp n VAL 129 Cb 0.40 0.47 0.45 0.00 -1.47 0.00 0.00 33.84 33.69 3inp n VAL 129 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3inp h GLU 130 N 1.93 0.42 0.00 7.34 4.22 -1.62 0.17 114.58 127.04 3inp h GLU 130 Ca 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 3inp h GLU 130 Cb 0.75 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3inp h GLU 130 CO 0.01 0.28 -0.01 0.66 -2.18 0.00 0.00 179.01 177.77 3inp h SER 131 N 0.43 0.00 -0.48 1.04 4.64 -1.90 -2.08 113.55 115.20 3inp h SER 131 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 3inp h SER 131 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3inp h SER 131 CO -0.51 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.05 3inp n ASN 132 N -3.15 3.79 -4.45 4.97 3.02 0.58 -4.93 115.26 115.09 3inp n ASN 132 Ca -0.02 -2.30 -0.39 0.00 -0.03 0.00 0.00 54.58 51.84 3inp n ASN 132 Cb 0.14 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 38.77 3inp n ASN 132 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3inp s ILE 133 N -1.55 4.68 -0.39 2.41 -1.09 -0.78 -4.44 121.20 120.04 3inp s ILE 133 Ca 0.39 -0.41 0.17 0.00 -2.23 0.00 0.00 60.65 58.56 3inp s ILE 133 Cb 0.24 -3.40 -0.22 0.00 -1.58 0.00 0.00 42.46 37.50 3inp s ILE 133 CO 0.20 0.05 0.53 0.47 -1.23 0.00 0.00 174.94 174.95 3inp n ASP 134 N 5.00 0.97 -3.49 3.58 8.00 0.87 -4.86 116.55 126.62 3inp n ASP 134 Ca -0.14 -0.43 -0.11 0.00 0.71 0.00 0.00 54.79 54.82 3inp n ASP 134 Cb 0.49 1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 42.95 3inp n ASP 134 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3inp s ARG 135 N -2.86 0.95 -0.02 -1.24 1.70 -1.11 -1.78 118.95 114.59 3inp s ARG 135 Ca -0.00 -0.21 0.03 0.00 -0.47 0.00 0.00 55.73 55.08 3inp s ARG 135 Cb 0.12 0.44 -0.00 0.00 -0.57 0.00 0.00 34.95 34.93 3inp s ARG 135 CO 0.68 -0.39 -0.10 0.08 -1.08 0.00 0.00 175.30 174.50 3inp s VAL 136 N -2.75 0.82 -0.20 4.99 1.01 -0.23 -2.97 120.40 121.07 3inp s VAL 136 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3inp s VAL 136 Cb -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3inp s VAL 136 CO -0.06 0.25 -0.12 -0.22 0.00 0.00 0.00 175.10 174.94 3inp s LEU 137 N 0.02 2.51 -0.22 3.92 2.96 0.03 -0.98 118.68 126.91 3inp s LEU 137 Ca -0.00 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 3inp s LEU 137 Cb -0.07 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3inp s LEU 137 CO 0.00 -0.00 0.46 -0.63 -1.32 0.00 0.00 176.35 174.86 3inp s ILE 138 N 1.35 5.14 -0.11 6.68 1.01 0.21 -0.67 121.20 134.81 3inp s ILE 138 Ca 0.05 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.26 3inp s ILE 138 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3inp s ILE 138 CO -0.08 0.18 0.78 -0.04 0.00 0.00 0.00 174.94 175.79 3inp s MET 139 N 1.70 4.38 -0.06 2.79 -1.94 -0.55 -1.29 119.30 124.33 3inp s MET 139 Ca 0.21 0.98 0.12 0.00 -1.71 0.00 0.00 55.69 55.29 3inp s MET 139 Cb -0.15 -3.51 0.37 0.00 2.01 0.00 0.00 34.83 33.55 3inp s MET 139 CO 0.09 -0.14 1.31 -1.13 -0.01 0.00 0.00 175.02 175.14 3inp n SER 140 N 4.50 3.23 -4.07 3.03 3.41 -0.06 -4.00 113.62 119.66 3inp n SER 140 Ca 0.02 -2.33 -0.09 0.00 -0.26 0.00 0.00 58.87 56.21 3inp n SER 140 Cb 0.50 -0.33 -0.09 0.00 -0.26 0.00 0.00 64.21 64.03 3inp n SER 140 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3inp s VAL 141 N -1.58 0.11 -0.51 -3.33 -7.23 -1.26 -0.65 120.40 105.95 3inp s VAL 141 Ca 0.29 -1.70 -0.28 0.00 -1.81 0.00 0.00 61.98 58.48 3inp s VAL 141 Cb 0.19 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.28 3inp s VAL 141 CO 0.13 -0.50 1.39 0.20 -0.31 0.00 0.00 175.10 176.01 3inp s ASN 142 N -2.99 6.24 0.12 4.85 0.02 -1.26 -4.69 114.94 117.22 3inp s ASN 142 Ca 0.18 0.46 -0.35 0.00 -1.02 0.00 0.00 52.86 52.13 3inp s ASN 142 Cb 0.06 -2.54 -0.16 0.00 0.02 0.00 0.00 41.25 38.62 3inp s ASN 142 CO -0.01 -1.59 1.27 -2.65 0.02 0.00 0.00 177.10 174.14 3inp n PRO 143 N 8.42 1.15 -0.96 -0.60 -0.02 -1.26 -2.28 135.00 139.44 3inp n PRO 143 Ca 0.14 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3inp n PRO 143 Cb 0.49 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3inp n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3inp n GLY 144 N 2.32 0.32 0.26 -1.23 0.00 -1.26 -4.67 105.19 100.92 3inp n GLY 144 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 3inp n GLY 144 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3inp n PHE 145 N -2.45 0.00 0.00 1.61 3.72 -0.97 -4.48 117.46 114.89 3inp n PHE 145 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3inp n PHE 145 Cb 0.19 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3inp n PHE 145 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3inp n GLN 148 N -3.16 -1.23 -3.55 -1.08 6.02 -1.26 -5.01 117.38 108.11 3inp n GLN 148 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.62 3inp n GLN 148 Cb 0.15 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.36 3inp n GLN 148 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3inp s LYS 149 N -1.86 3.75 0.23 -1.09 -0.14 -1.26 -4.45 119.74 114.93 3inp s LYS 149 Ca 0.00 0.16 -0.31 0.00 -1.36 0.00 0.00 55.97 54.46 3inp s LYS 149 Cb 0.00 -2.89 -0.14 0.00 -1.68 0.00 0.00 37.83 33.12 3inp s LYS 149 CO 0.00 0.48 1.26 0.34 -0.76 0.00 0.00 175.35 176.67 3inp n PHE 150 N 0.49 1.74 -2.94 3.18 7.35 -1.26 -4.73 117.46 121.29 3inp n PHE 150 Ca -0.05 0.56 -0.43 0.00 -0.76 0.00 0.00 57.45 56.78 3inp n PHE 150 Cb 0.52 -2.37 -0.05 0.00 0.35 0.00 0.00 39.48 37.94 3inp n PHE 150 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3inp s ILE 151 N -0.29 4.56 0.59 -2.13 1.01 0.17 -4.94 121.20 120.18 3inp s ILE 151 Ca 0.68 0.16 0.30 0.00 0.00 0.00 0.00 60.65 61.80 3inp s ILE 151 Cb -0.72 -4.43 0.36 0.00 0.01 0.00 0.00 42.46 37.68 3inp s ILE 151 CO 0.53 -0.93 2.23 1.55 0.00 0.00 0.00 174.94 178.31 3inp h PRO 152 N 9.15 0.00 0.00 2.79 0.13 -1.90 -1.03 132.00 141.13 3inp h PRO 152 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3inp h PRO 152 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3inp h PRO 152 CO 1.03 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.82 3inp h ALA 153 N 1.94 1.02 0.00 -0.56 0.00 -1.99 -1.88 119.26 117.79 3inp h ALA 153 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3inp h ALA 153 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3inp h ALA 153 CO -0.00 -0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.90 3inp n MET 154 N -2.65 0.18 -0.13 0.00 2.81 -0.39 -3.32 117.12 113.62 3inp n MET 154 Ca -0.02 0.31 -0.09 0.00 -1.81 0.00 0.00 57.70 56.09 3inp n MET 154 Cb 0.07 -1.79 -0.01 0.00 -0.71 0.00 0.00 33.22 30.78 3inp n MET 154 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3inp h LEU 155 N 0.00 0.52 -1.04 4.03 3.38 -1.55 -1.00 115.31 119.65 3inp h LEU 155 Ca 0.00 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3inp h LEU 155 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3inp h LEU 155 CO 0.00 0.54 -0.11 -0.78 0.09 0.00 0.00 178.44 178.17 3inp h ASP 156 N 0.47 0.54 -0.50 -0.43 3.58 -1.77 -1.42 116.42 116.89 3inp h ASP 156 Ca 0.13 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 3inp h ASP 156 Cb 0.17 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3inp h ASP 156 CO -0.01 0.69 0.14 0.50 -2.88 0.00 0.00 179.24 177.68 3inp h LYS 157 N 0.51 0.79 -0.96 0.28 3.64 -1.56 -0.74 116.57 118.52 3inp h LYS 157 Ca 0.09 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3inp h LYS 157 Cb 0.50 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 3inp h LYS 157 CO 0.03 0.75 0.64 0.00 -2.27 0.00 0.00 179.45 178.59 3inp h ALA 158 N 1.01 1.33 -0.53 5.00 0.00 -0.77 -0.01 119.26 125.29 3inp h ALA 158 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3inp h ALA 158 Cb 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3inp h ALA 158 CO -0.00 0.61 0.19 0.87 0.00 0.00 0.00 179.25 180.92 3inp h LYS 159 N 1.28 0.81 -0.63 0.00 1.57 -0.69 0.04 116.57 118.95 3inp h LYS 159 Ca 0.36 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3inp h LYS 159 Cb -0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3inp h LYS 159 CO -0.09 0.72 0.07 0.93 -0.57 0.00 0.00 179.45 180.52 3inp h GLU 160 N 0.73 1.06 -0.46 3.15 4.39 -0.63 -1.94 114.58 120.88 3inp h GLU 160 Ca 0.18 -0.30 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 3inp h GLU 160 Cb 0.23 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3inp h GLU 160 CO -0.01 1.00 -0.26 0.82 -1.16 0.00 0.00 179.01 179.40 3inp h ILE 161 N 0.97 1.27 -0.54 3.13 2.04 -0.84 -1.69 117.51 121.85 3inp h ILE 161 Ca 0.19 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.67 3inp h ILE 161 Cb 0.47 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3inp h ILE 161 CO 0.02 0.49 0.27 0.28 0.00 0.00 0.00 178.15 179.21 3inp h SER 162 N 0.84 0.38 -0.41 1.72 0.02 -0.81 0.13 113.55 115.42 3inp h SER 162 Ca 0.10 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3inp h SER 162 Cb 0.84 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3inp h SER 162 CO 0.07 0.26 0.27 0.11 -1.14 0.00 0.00 176.83 176.40 3inp h LYS 163 N 0.52 0.54 -0.35 3.45 1.57 -1.16 -0.35 116.57 120.80 3inp h LYS 163 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3inp h LYS 163 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3inp h LYS 163 CO -0.18 0.37 0.22 2.35 -0.57 0.00 0.00 179.45 181.65 3inp h TRP 164 N 0.55 0.45 -0.48 -1.35 7.01 -0.77 -1.72 115.95 119.65 3inp h TRP 164 Ca 0.15 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3inp h TRP 164 Cb -0.05 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 3inp h TRP 164 CO -0.04 0.31 0.22 0.82 -2.79 0.00 0.00 178.44 176.95 3inp h ILE 165 N 0.46 0.91 -0.82 2.65 2.04 -0.43 -1.61 117.51 120.72 3inp h ILE 165 Ca 0.13 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3inp h ILE 165 Cb -0.02 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 3inp h ILE 165 CO -0.03 0.08 0.54 0.28 0.00 0.00 0.00 178.15 179.02 3inp h SER 166 N 0.43 0.94 0.70 1.72 0.02 -0.71 -1.76 113.55 114.88 3inp h SER 166 Ca 0.22 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3inp h SER 166 Cb 0.17 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3inp h SER 166 CO -0.18 0.68 0.00 0.77 -1.14 0.00 0.00 176.83 176.96 3inp h SER 167 N 1.11 0.00 1.33 3.07 4.64 -0.38 -2.95 113.55 120.35 3inp h SER 167 Ca 0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 3inp h SER 167 Cb -0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3inp h SER 167 CO -0.07 0.00 -0.69 0.71 -0.87 0.00 0.00 176.83 175.92 3inp h THR 168 N 0.00 0.16 0.00 2.95 1.35 -0.99 -3.48 112.91 112.90 3inp h THR 168 Ca 0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3inp h THR 168 Cb 0.35 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3inp h THR 168 CO 0.00 0.09 0.00 0.47 -0.25 0.00 0.00 175.52 175.83 3inp n ASP 169 N -2.90 -2.02 -4.97 5.36 8.00 -1.12 -4.98 116.55 113.92 3inp n ASP 169 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 3inp n ASP 169 Cb 0.60 -1.90 -0.02 0.00 -0.02 0.00 0.00 41.12 39.79 3inp n ASP 169 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3inp s ARG 170 N -0.88 3.42 -0.47 -1.24 0.52 -1.26 -5.05 118.95 113.99 3inp s ARG 170 Ca 0.00 -0.76 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 3inp s ARG 170 Cb 0.00 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.62 3inp s ARG 170 CO 0.00 0.40 0.74 0.16 0.02 0.00 0.00 175.30 176.62 3inp s ASP 171 N -3.99 6.34 -0.12 0.23 -4.77 -1.26 -4.90 116.67 108.20 3inp s ASP 171 Ca 0.35 -0.34 0.01 0.00 -3.30 0.00 0.00 52.55 49.27 3inp s ASP 171 Cb -0.09 -2.36 0.02 0.00 -1.09 0.00 0.00 42.92 39.40 3inp s ASP 171 CO 0.29 -0.92 -0.13 -0.63 0.70 0.00 0.00 175.17 174.48 3inp s ILE 172 N 3.14 1.42 0.21 2.11 1.01 -1.26 -4.84 121.20 123.00 3inp s ILE 172 Ca 0.25 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 3inp s ILE 172 Cb -0.14 -1.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.92 3inp s ILE 172 CO 0.19 0.43 1.14 -0.22 0.00 0.00 0.00 174.94 176.48 3inp s LEU 173 N 1.28 4.49 -0.28 2.97 2.96 -0.73 -4.92 118.68 124.45 3inp s LEU 173 Ca -0.01 2.21 -0.04 0.00 -0.22 0.00 0.00 54.13 56.07 3inp s LEU 173 Cb -0.14 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.96 3inp s LEU 173 CO -0.06 -0.26 0.01 -0.22 -1.32 0.00 0.00 176.35 174.50 3inp s LEU 174 N -0.66 3.59 0.21 -0.68 2.96 -1.26 -1.07 118.68 121.77 3inp s LEU 174 Ca 0.49 -0.89 0.10 0.00 -0.22 0.00 0.00 54.13 53.61 3inp s LEU 174 Cb -0.32 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3inp s LEU 174 CO 0.38 -0.18 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.37 3inp s GLU 175 N 1.38 1.82 0.04 1.98 2.12 -0.16 -0.67 118.70 125.21 3inp s GLU 175 Ca 0.00 -1.47 0.03 0.00 0.36 0.00 0.00 54.97 53.89 3inp s GLU 175 Cb -0.17 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 3inp s GLU 175 CO -0.01 0.40 -0.09 -1.50 -0.54 0.00 0.00 175.26 173.52 3inp s ILE 176 N -1.90 0.62 -0.13 -3.70 2.07 -0.54 -0.62 121.20 116.99 3inp s ILE 176 Ca 0.25 -1.03 -0.05 0.00 -1.41 0.00 0.00 60.65 58.41 3inp s ILE 176 Cb -0.08 -0.65 0.07 0.00 0.13 0.00 0.00 42.46 41.93 3inp s ILE 176 CO 0.14 -0.31 0.27 -0.62 -1.91 0.00 0.00 174.94 172.51 3inp s ASP 177 N -1.46 0.26 0.00 4.50 2.15 -0.41 -1.09 116.67 120.62 3inp s ASP 177 Ca -0.08 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.53 3inp s ASP 177 Cb -0.09 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 3inp s ASP 177 CO 0.01 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 3inp n GLY 178 N 5.28 2.78 2.33 2.66 0.00 -1.26 -0.88 105.19 116.10 3inp n GLY 178 Ca -0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 3inp n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3inp n GLY 179 N 0.00 0.79 3.73 -0.02 0.00 -1.26 -4.36 105.19 104.07 3inp n GLY 179 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3inp n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3inp s VAL 180 N -2.55 4.27 0.29 1.61 1.01 -1.26 -4.33 120.40 119.43 3inp s VAL 180 Ca 0.00 1.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.76 3inp s VAL 180 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 3inp s VAL 180 CO 0.00 0.28 0.46 0.54 0.00 0.00 0.00 175.10 176.38 3inp s ASN 181 N 0.12 0.30 0.59 3.32 2.20 -1.26 -4.55 114.94 115.66 3inp s ASN 181 Ca 0.49 -1.19 0.39 0.00 -0.94 0.00 0.00 52.86 51.62 3inp s ASN 181 Cb -0.26 0.61 2.08 0.00 -2.00 0.00 0.00 41.25 41.68 3inp s ASN 181 CO 0.31 -1.20 2.20 -0.65 -2.94 0.00 0.00 177.10 174.82 3inp h PRO 182 N 2.22 0.00 0.00 3.55 0.11 -1.94 -2.24 132.00 133.69 3inp h PRO 182 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3inp h PRO 182 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3inp h PRO 182 CO 0.38 0.00 -0.91 1.88 -0.21 0.00 0.00 178.00 179.14 3inp h TYR 183 N 0.00 0.00 -0.00 0.65 0.05 -1.98 -3.37 116.97 112.32 3inp h TYR 183 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3inp h TYR 183 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3inp h TYR 183 CO 0.00 0.06 -0.03 0.27 -1.05 0.00 0.00 178.16 177.42 3inp n ASN 184 N -2.76 1.08 -0.15 3.88 0.23 -1.08 -4.78 115.26 111.68 3inp n ASN 184 Ca -0.00 -1.04 -0.07 0.00 -0.53 0.00 0.00 54.58 52.94 3inp n ASN 184 Cb 0.58 0.18 0.10 0.00 -2.08 0.00 0.00 39.78 38.55 3inp n ASN 184 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3inp h ILE 185 N 0.55 1.26 -0.59 1.53 2.10 -1.57 -2.61 117.51 118.18 3inp h ILE 185 Ca 0.00 -1.10 -0.09 0.00 1.08 0.00 0.00 64.86 64.75 3inp h ILE 185 Cb 0.13 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 36.72 3inp h ILE 185 CO 0.00 0.39 0.02 0.00 -1.08 0.00 0.00 178.15 177.48 3inp h ALA 186 N 1.14 0.92 -0.11 0.18 0.00 -1.86 -0.28 119.26 119.25 3inp h ALA 186 Ca 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3inp h ALA 186 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3inp h ALA 186 CO 0.03 0.65 -0.18 0.93 0.00 0.00 0.00 179.25 180.68 3inp h GLU 187 N 0.93 0.18 0.12 0.00 3.07 -1.82 -2.03 114.58 115.04 3inp h GLU 187 Ca 0.17 -0.05 -0.23 0.00 -0.50 0.00 0.00 59.36 58.76 3inp h GLU 187 Cb 0.51 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3inp h GLU 187 CO 0.02 0.36 -0.97 0.82 -1.40 0.00 0.00 179.01 177.85 3inp h ILE 188 N 0.17 1.41 -0.46 3.13 2.04 -1.15 -3.33 117.51 119.31 3inp h ILE 188 Ca 0.03 -2.44 0.01 0.00 1.00 0.00 0.00 64.86 63.47 3inp h ILE 188 Cb 0.42 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 3inp h ILE 188 CO 0.03 0.71 0.31 0.00 0.00 0.00 0.00 178.15 179.20 3inp h ALA 189 N 0.19 1.72 0.00 1.87 0.00 -0.80 -1.97 119.26 120.27 3inp h ALA 189 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3inp h ALA 189 Cb 1.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3inp h ALA 189 CO 0.18 0.25 0.00 1.55 0.00 0.00 0.00 179.25 181.23 3inp n VAL 190 N -4.47 1.01 1.08 0.00 3.14 -0.79 -1.72 118.33 116.59 3inp n VAL 190 Ca 0.04 0.34 0.11 0.00 -2.96 0.00 0.00 64.34 61.87 3inp n VAL 190 Cb 0.09 -1.24 0.34 0.00 -1.06 0.00 0.00 33.84 31.98 3inp n VAL 190 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3inp n GLY 192 N 1.19 0.53 3.71 0.00 0.00 -0.70 -3.26 105.19 106.67 3inp n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3inp n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3inp s VAL 193 N -2.00 3.53 -0.63 1.61 1.01 -1.25 -4.78 120.40 117.89 3inp s VAL 193 Ca 0.00 1.07 0.10 0.00 0.00 0.00 0.00 61.98 63.15 3inp s VAL 193 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 3inp s VAL 193 CO 0.00 0.07 0.50 0.59 0.00 0.00 0.00 175.10 176.25 3inp n ASN 194 N 4.23 0.73 -3.85 3.32 4.13 0.15 -4.58 115.26 119.39 3inp n ASN 194 Ca 0.11 -0.86 -0.14 0.00 1.68 0.00 0.00 54.58 55.37 3inp n ASN 194 Cb 0.43 0.82 -0.15 0.00 -1.54 0.00 0.00 39.78 39.35 3inp n ASN 194 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3inp s ALA 195 N -1.76 0.12 -0.11 5.41 0.00 -0.80 -1.25 121.76 123.37 3inp s ALA 195 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.09 3inp s ALA 195 Cb 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3inp s ALA 195 CO 0.36 -0.02 -0.12 -0.06 0.00 0.00 0.00 175.76 175.92 3inp s PHE 196 N 0.40 1.79 -0.16 0.00 0.08 -0.07 -1.47 117.98 118.54 3inp s PHE 196 Ca -0.03 -0.88 -0.16 0.00 0.12 0.00 0.00 56.93 55.97 3inp s PHE 196 Cb -0.05 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 3inp s PHE 196 CO -0.01 -0.51 0.40 0.08 -0.10 0.00 0.00 175.22 175.08 3inp s VAL 197 N 1.31 5.22 -0.02 -0.44 1.01 -0.25 -0.48 120.40 126.75 3inp s VAL 197 Ca -0.01 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3inp s VAL 197 Cb -0.14 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3inp s VAL 197 CO -0.05 0.31 -0.04 0.00 0.00 0.00 0.00 175.10 175.32 3inp s ALA 198 N 0.87 0.48 0.00 5.51 0.00 -1.13 -4.33 121.76 123.16 3inp s ALA 198 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3inp s ALA 198 Cb -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3inp s ALA 198 CO 0.08 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.28 3inp n GLY 199 N 3.56 0.03 0.21 0.00 0.00 -1.26 -0.85 105.19 106.87 3inp n GLY 199 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 3inp n GLY 199 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3inp h SER 200 N 0.00 -0.31 -0.84 1.61 0.87 -1.90 0.09 113.55 113.08 3inp h SER 200 Ca 0.00 0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.89 3inp h SER 200 Cb 0.00 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 3inp h SER 200 CO 0.00 -0.11 0.56 0.00 -0.53 0.00 0.00 176.83 176.75 3inp h ALA 201 N 1.50 2.23 0.00 6.23 0.00 -1.89 -1.12 119.26 126.21 3inp h ALA 201 Ca 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3inp h ALA 201 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3inp h ALA 201 CO -0.49 -0.48 -1.02 -0.89 0.00 0.00 0.00 179.25 176.37 3inp n ILE 202 N -4.48 1.48 0.26 0.00 5.41 -0.71 -4.25 119.36 117.06 3inp n ILE 202 Ca 0.17 0.09 0.13 0.00 1.00 0.00 0.00 62.75 64.15 3inp n ILE 202 Cb 0.65 -2.28 0.70 0.00 -0.71 0.00 0.00 39.64 38.01 3inp n ILE 202 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3inp h PHE 203 N -1.00 0.00 -0.29 1.39 0.04 -1.01 -2.36 116.94 113.70 3inp h PHE 203 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3inp h PHE 203 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 3inp h PHE 203 CO -0.25 0.12 0.00 0.09 -0.60 0.00 0.00 178.31 177.67 3inp n ASN 204 N -3.48 2.69 -4.89 2.17 3.02 -0.43 -4.95 115.26 109.40 3inp n ASN 204 Ca -0.01 -1.88 -0.29 0.00 -0.03 0.00 0.00 54.58 52.37 3inp n ASN 204 Cb 0.27 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3inp n ASN 204 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3inp s SER 205 N -1.52 6.45 0.39 6.41 1.04 -0.89 -4.99 113.70 120.59 3inp s SER 205 Ca 0.35 0.90 0.09 0.00 0.48 0.00 0.00 55.95 57.77 3inp s SER 205 Cb 0.20 -2.22 0.80 0.00 0.10 0.00 0.00 66.02 64.90 3inp s SER 205 CO 0.29 -0.32 1.95 0.44 0.98 0.00 0.00 173.24 176.58 3inp h ASP 206 N 1.32 0.30 -3.16 7.02 3.32 -1.92 -3.41 116.42 119.89 3inp h ASP 206 Ca -0.47 -0.05 -0.47 0.00 0.02 0.00 0.00 57.03 56.06 3inp h ASP 206 Cb 1.19 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 40.26 3inp h ASP 206 CO 0.64 0.38 -0.75 -0.55 -1.72 0.00 0.00 179.24 177.24 3inp s SER 207 N -6.83 2.34 0.17 6.45 0.15 -1.26 -5.02 113.70 109.71 3inp s SER 207 Ca -0.06 -0.57 -0.14 0.00 0.70 0.00 0.00 55.95 55.88 3inp s SER 207 Cb 0.16 -0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.18 3inp s SER 207 CO 0.73 -0.32 1.83 1.88 1.20 0.00 0.00 173.24 178.57 3inp h TYR 208 N 8.36 0.69 -0.36 3.44 0.05 -1.84 -2.00 116.97 125.31 3inp h TYR 208 Ca -0.15 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.71 3inp h TYR 208 Cb 1.14 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.58 3inp h TYR 208 CO 0.25 0.44 -0.05 -0.22 -1.05 0.00 0.00 178.16 177.53 3inp h LYS 209 N 0.73 0.04 -0.42 4.88 1.63 -1.94 0.01 116.57 121.51 3inp h LYS 209 Ca 0.20 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.87 3inp h LYS 209 Cb -0.07 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 3inp h LYS 209 CO -0.04 0.03 -0.22 1.96 -3.45 0.00 0.00 179.45 177.72 3inp h GLN 210 N 0.04 0.85 -0.22 1.90 4.20 -1.85 0.67 115.11 120.71 3inp h GLN 210 Ca 0.17 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 3inp h GLN 210 Cb 0.26 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3inp h GLN 210 CO -0.34 0.99 -0.00 1.15 -0.67 0.00 0.00 178.83 179.96 3inp h THR 211 N 0.74 1.26 -0.56 -0.54 2.02 -1.09 -0.61 112.91 114.13 3inp h THR 211 Ca 0.10 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 3inp h THR 211 Cb 0.76 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3inp h THR 211 CO 0.06 0.28 0.03 0.40 0.37 0.00 0.00 175.52 176.66 3inp h ILE 212 N 0.16 1.25 -0.61 3.11 2.04 -0.89 -1.68 117.51 120.90 3inp h ILE 212 Ca 0.06 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 3inp h ILE 212 Cb 0.41 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3inp h ILE 212 CO 0.01 0.38 0.25 0.44 0.00 0.00 0.00 178.15 179.23 3inp h ASP 213 N 0.88 0.84 -0.76 1.72 3.32 -0.72 -0.51 116.42 121.19 3inp h ASP 213 Ca 0.17 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3inp h ASP 213 Cb 0.48 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3inp h ASP 213 CO 0.02 0.78 0.49 0.11 -1.72 0.00 0.00 179.24 178.92 3inp h LYS 214 N 0.85 1.00 -0.18 3.56 1.57 -0.77 -0.60 116.57 122.00 3inp h LYS 214 Ca 0.20 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3inp h LYS 214 Cb 0.20 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3inp h LYS 214 CO -0.02 0.68 0.09 0.52 -0.57 0.00 0.00 179.45 180.15 3inp h MET 215 N 1.03 0.26 -0.98 3.15 2.86 -0.95 -2.53 114.93 117.76 3inp h MET 215 Ca 0.28 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.95 3inp h MET 215 Cb -0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.45 3inp h MET 215 CO -0.06 0.27 0.63 0.00 1.06 0.00 0.00 176.91 178.82 3inp h ARG 216 N 0.17 1.11 -0.40 1.72 2.47 -0.74 -1.34 114.38 117.38 3inp h ARG 216 Ca 0.06 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3inp h ARG 216 Cb 0.10 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 3inp h ARG 216 CO -0.01 0.73 0.21 -0.44 0.56 0.00 0.00 179.97 181.02 3inp h ASP 217 N 1.14 0.51 -0.29 7.04 3.32 -0.91 -0.40 116.42 126.83 3inp h ASP 217 Ca 0.43 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3inp h ASP 217 Cb 0.17 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3inp h ASP 217 CO -0.18 0.47 0.07 -0.33 -1.72 0.00 0.00 179.24 177.55 3inp h GLU 218 N 0.51 0.47 -0.37 3.56 4.39 -1.09 -3.15 114.58 118.90 3inp h GLU 218 Ca 0.14 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3inp h GLU 218 Cb 0.08 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3inp h GLU 218 CO -0.02 0.55 0.13 -0.07 -1.16 0.00 0.00 179.01 178.44 3inp h LEU 219 N 0.31 0.47 -1.86 1.33 3.38 -1.08 -2.63 115.31 115.23 3inp h LEU 219 Ca 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3inp h LEU 219 Cb 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3inp h LEU 219 CO 0.00 0.44 0.00 -1.13 0.09 0.00 0.00 178.44 177.84 3inp h ASN 220 N 0.52 0.00 0.08 -0.43 -1.24 -1.03 -2.80 115.58 110.68 3inp h ASN 220 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3inp h ASN 220 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 3inp h ASN 220 CO -0.01 0.00 -0.28 0.29 -1.29 0.00 0.00 177.43 176.14 3inp n LYS 221 N -3.05 1.24 0.00 6.67 5.02 -0.99 -5.11 118.16 121.94 3inp n LYS 221 Ca -0.00 -0.89 0.12 0.00 -2.02 0.00 0.00 58.31 55.52 3inp n LYS 221 Cb 0.23 -1.48 0.72 0.00 -0.02 0.00 0.00 35.03 34.49 3inp n LYS 221 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16