#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3v s ILE 2 N 0.00 3.04 -0.25 3.17 1.01 -1.26 -2.38 121.20 124.53 1t3v s ILE 2 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 58.99 1t3v s ILE 2 Cb 0.00 -2.47 0.08 0.00 0.01 0.00 0.00 42.46 40.08 1t3v s ILE 2 CO 0.00 -0.05 0.07 -0.63 0.00 0.00 0.00 174.94 174.33 1t3v s ILE 3 N -1.55 0.55 0.34 2.92 1.01 0.83 -0.34 121.20 124.96 1t3v s ILE 3 Ca 0.23 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 1t3v s ILE 3 Cb -0.09 -1.24 -0.10 0.00 0.01 0.00 0.00 42.46 41.04 1t3v s ILE 3 CO 0.13 -0.44 0.93 0.00 0.00 0.00 0.00 174.94 175.56 1t3v s ALA 4 N 1.81 3.19 -0.17 9.38 0.00 -0.40 -0.88 121.76 134.69 1t3v s ALA 4 Ca 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1t3v s ALA 4 Cb -0.17 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 19.88 1t3v s ALA 4 CO -0.18 0.18 0.24 0.42 0.00 0.00 0.00 175.76 176.42 1t3v s ILE 5 N -1.73 -0.37 0.08 0.00 1.01 -0.92 -0.21 121.20 119.07 1t3v s ILE 5 Ca 0.52 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 1t3v s ILE 5 Cb -0.16 -0.56 -0.07 0.00 0.01 0.00 0.00 42.46 41.68 1t3v s ILE 5 CO 0.21 -0.05 1.31 -2.16 0.00 0.00 0.00 174.94 174.25 1t3v s PRO 6 N 2.37 4.36 0.12 2.79 0.04 -1.26 -1.05 135.00 142.37 1t3v s PRO 6 Ca 0.05 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.12 1t3v s PRO 6 Cb -0.14 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1t3v s PRO 6 CO -0.10 -0.37 -0.23 0.14 0.04 0.00 0.00 177.00 176.47 1t3v s VAL 7 N 1.20 1.94 0.32 -0.36 -7.23 -1.11 -0.66 120.40 114.51 1t3v s VAL 7 Ca 0.62 -1.64 0.19 0.00 -1.81 0.00 0.00 61.98 59.34 1t3v s VAL 7 Cb -0.33 -1.74 0.17 0.00 0.56 0.00 0.00 36.38 35.04 1t3v s VAL 7 CO 0.29 -0.01 1.88 0.28 -0.31 0.00 0.00 175.10 177.24 1t3v h SER 8 N 3.97 0.00 -5.06 4.85 0.02 -1.19 -3.33 113.55 112.81 1t3v h SER 8 Ca -0.48 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1t3v h SER 8 Cb 1.18 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.56 1t3v h SER 8 CO 0.40 0.28 -0.17 -1.61 -1.14 0.00 0.00 176.83 174.59 1t3v s GLU 9 N -4.01 0.90 -0.81 3.45 0.41 -1.26 -4.76 118.70 112.61 1t3v s GLU 9 Ca -0.02 -0.52 -0.22 0.00 -0.41 0.00 0.00 54.97 53.80 1t3v s GLU 9 Cb 0.13 0.39 0.08 0.00 -1.78 0.00 0.00 34.13 32.95 1t3v s GLU 9 CO 0.67 -0.31 1.15 1.21 -0.49 0.00 0.00 175.26 177.48 1t3v s ASN 10 N -2.22 6.35 -0.28 -0.19 3.84 -1.26 -4.53 114.94 116.65 1t3v s ASN 10 Ca -0.03 -1.27 0.12 0.00 0.21 0.00 0.00 52.86 51.89 1t3v s ASN 10 Cb 0.00 -2.46 0.47 0.00 -0.55 0.00 0.00 41.25 38.71 1t3v s ASN 10 CO -0.05 -1.42 1.17 0.54 -2.79 0.00 0.00 177.10 174.55 1t3v n ARG 11 N 7.88 3.02 0.00 0.43 1.74 -1.26 -4.97 116.66 123.49 1t3v n ARG 11 Ca 0.11 -3.95 0.00 0.00 -0.77 0.00 0.00 57.85 53.25 1t3v n ARG 11 Cb 0.48 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1t3v n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3v n GLY 12 N -0.68 3.20 0.20 -0.13 0.00 -1.26 -0.72 105.19 105.80 1t3v n GLY 12 Ca 0.33 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 1t3v n GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t3v h LYS 13 N 0.00 0.51 0.00 1.61 2.10 -1.99 -2.82 116.57 115.98 1t3v h LYS 13 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1t3v h LYS 13 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1t3v h LYS 13 CO 0.00 0.34 0.00 -0.40 -2.00 0.00 0.00 179.45 177.39 1t3v n ASP 14 N -4.85 0.00 -4.48 7.07 5.75 0.11 -1.93 116.55 118.21 1t3v n ASP 14 Ca 0.03 -0.18 -0.48 0.00 -0.01 0.00 0.00 54.79 54.15 1t3v n ASP 14 Cb 0.09 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1t3v n SER 15 N -1.09 2.31 -4.73 -1.12 7.64 -0.53 -4.80 113.62 111.30 1t3v n SER 15 Ca 0.07 0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.84 1t3v n SER 15 Cb 0.05 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 61.87 1t3v n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t3v s PRO 16 N 6.48 4.66 0.24 1.43 0.04 -1.26 -2.30 135.00 144.28 1t3v s PRO 16 Ca 1.08 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 63.39 1t3v s PRO 16 Cb -0.72 -3.33 -0.13 0.00 0.04 0.00 0.00 34.50 30.36 1t3v s PRO 16 CO 0.45 0.16 1.45 1.51 0.04 0.00 0.00 177.00 180.60 1t3v n ILE 17 N 2.55 0.87 -2.26 0.56 3.06 -1.00 -0.83 119.36 122.31 1t3v n ILE 17 Ca 0.02 -0.22 -0.25 0.00 -2.50 0.00 0.00 62.75 59.80 1t3v n ILE 17 Cb 0.48 -1.54 0.06 0.00 0.54 0.00 0.00 39.64 39.18 1t3v n ILE 17 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1t3v s SER 18 N 0.37 4.89 -0.16 9.51 0.15 0.17 -4.42 113.70 124.21 1t3v s SER 18 Ca 0.69 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 57.59 1t3v s SER 18 Cb -0.63 -1.09 -0.11 0.00 -1.71 0.00 0.00 66.02 62.48 1t3v s SER 18 CO 0.48 -1.53 0.07 -0.08 1.20 0.00 0.00 173.24 173.39 1t3v h GLU 19 N -0.51 0.00 -3.62 5.44 4.81 -1.95 -3.39 114.58 115.35 1t3v h GLU 19 Ca -0.44 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.02 1t3v h GLU 19 Cb 1.31 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.40 1t3v h GLU 19 CO 0.59 0.47 0.10 -1.01 -0.73 0.00 0.00 179.01 178.44 1t3v s HIS 20 N -2.21 3.88 0.27 0.92 0.09 -1.26 -1.42 115.29 115.55 1t3v s HIS 20 Ca -0.19 -2.49 0.00 0.00 -0.00 0.00 0.00 55.06 52.38 1t3v s HIS 20 Cb 0.03 -3.63 0.62 0.00 -0.00 0.00 0.00 32.58 29.59 1t3v s HIS 20 CO 0.38 -0.91 1.37 0.34 -0.00 0.00 0.00 174.74 175.92 1t3v n PHE 21 N 3.24 0.51 0.18 1.40 -0.00 -1.26 -0.76 117.46 120.77 1t3v n PHE 21 Ca 0.17 1.06 0.10 0.00 -0.00 0.00 0.00 57.45 58.78 1t3v n PHE 21 Cb 0.42 -1.13 0.53 0.00 -0.00 0.00 0.00 39.48 39.29 1t3v n PHE 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1t3v n GLY 22 N -1.46 -0.89 2.70 7.13 0.00 -1.26 -2.01 105.19 109.40 1t3v n GLY 22 Ca 0.19 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 1t3v n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t3v n ARG 23 N -2.19 1.26 -2.72 1.61 0.00 0.06 -4.93 116.66 109.75 1t3v n ARG 23 Ca -0.01 -3.10 -0.40 0.00 -0.00 0.00 0.00 57.85 54.34 1t3v n ARG 23 Cb 0.06 -1.14 -0.05 0.00 -0.00 0.00 0.00 32.46 31.32 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3v s ALA 24 N -2.82 3.31 0.23 2.89 0.00 -0.85 -4.83 121.76 119.69 1t3v s ALA 24 Ca 0.26 0.62 0.22 0.00 0.00 0.00 0.00 51.96 53.06 1t3v s ALA 24 Cb 0.43 -3.25 0.96 0.00 0.00 0.00 0.00 23.12 21.26 1t3v s ALA 24 CO 0.01 0.09 1.86 -1.00 0.00 0.00 0.00 175.76 176.72 1t3v h PRO 25 N 4.72 0.00 -3.76 0.00 0.13 -1.85 -3.41 132.00 127.83 1t3v h PRO 25 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1t3v h PRO 25 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1t3v h PRO 25 CO 0.70 0.26 -0.40 0.71 -0.23 0.00 0.00 178.00 179.03 1t3v s TYR 26 N -3.81 0.15 -0.29 1.56 1.51 -1.25 -1.73 117.35 113.49 1t3v s TYR 26 Ca -0.01 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1t3v s TYR 26 Cb 0.11 -0.07 0.08 0.00 -0.11 0.00 0.00 41.96 41.97 1t3v s TYR 26 CO 0.65 -0.49 0.02 -0.06 -1.11 0.00 0.00 175.55 174.56 1t3v s PHE 27 N -3.41 2.70 -1.32 2.71 0.08 -0.31 -2.73 117.98 115.70 1t3v s PHE 27 Ca 0.02 -2.19 -0.18 0.00 0.12 0.00 0.00 56.93 54.70 1t3v s PHE 27 Cb 0.03 -2.08 0.07 0.00 -0.57 0.00 0.00 43.02 40.46 1t3v s PHE 27 CO -0.09 -0.86 1.79 0.00 -0.10 0.00 0.00 175.22 175.96 1t3v n ALA 28 N 4.57 3.75 -2.29 5.36 0.00 -0.22 -2.36 120.51 129.33 1t3v n ALA 28 Ca -0.04 -3.86 -0.38 0.00 0.00 0.00 0.00 53.44 49.16 1t3v n ALA 28 Cb 0.43 -3.60 -0.03 0.00 0.00 0.00 0.00 19.45 16.24 1t3v n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t3v s PHE 29 N 4.11 2.02 0.64 0.00 0.08 0.02 -2.16 117.98 122.68 1t3v s PHE 29 Ca 0.53 0.25 -0.09 0.00 0.12 0.00 0.00 56.93 57.74 1t3v s PHE 29 Cb 0.05 -4.36 0.01 0.00 -0.57 0.00 0.00 43.02 38.15 1t3v s PHE 29 CO 0.06 -2.10 0.99 0.08 -0.10 0.00 0.00 175.22 174.16 1t3v s VAL 30 N 7.48 3.70 0.10 -0.44 1.01 -0.06 -1.01 120.40 131.18 1t3v s VAL 30 Ca 0.53 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1t3v s VAL 30 Cb -0.08 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1t3v s VAL 30 CO 0.12 -0.60 0.04 0.29 0.00 0.00 0.00 175.10 174.95 1t3v n LYS 31 N -2.77 1.53 -3.75 2.72 5.02 -0.67 -0.12 118.16 120.12 1t3v n LYS 31 Ca 0.05 -0.69 -0.13 0.00 -2.02 0.00 0.00 58.31 55.52 1t3v n LYS 31 Cb 0.57 0.13 -0.09 0.00 -0.02 0.00 0.00 35.03 35.62 1t3v n LYS 31 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1t3v s VAL 32 N -0.90 0.04 -0.21 -0.18 0.11 -1.00 -4.49 120.40 113.77 1t3v s VAL 32 Ca 0.03 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1t3v s VAL 32 Cb -0.00 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1t3v s VAL 32 CO 0.02 -0.19 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.74 1t3v s LYS 33 N -1.00 2.06 1.00 1.54 2.47 0.64 -4.34 119.74 122.12 1t3v s LYS 33 Ca -0.11 -0.93 0.00 0.00 -1.56 0.00 0.00 55.97 53.38 1t3v s LYS 33 Cb -0.04 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 1t3v s LYS 33 CO 0.04 -0.45 0.00 -1.71 0.16 0.00 0.00 175.35 173.38 1t3v n ASN 34 N 4.64 0.00 -0.10 1.43 5.15 -1.26 -1.48 115.26 123.64 1t3v n ASN 34 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1t3v n ASN 34 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 1t3v n ASN 34 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1t3v n ASN 35 N 1.92 0.22 -4.34 1.20 4.13 -1.26 -5.09 115.26 112.04 1t3v n ASN 35 Ca 0.00 -1.33 -0.21 0.00 1.68 0.00 0.00 54.58 54.72 1t3v n ASN 35 Cb 0.00 -0.05 -0.11 0.00 -1.54 0.00 0.00 39.78 38.08 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t3v s ALA 36 N -0.15 2.04 0.48 5.41 0.00 -0.55 -5.05 121.76 123.94 1t3v s ALA 36 Ca 0.01 -1.54 0.25 0.00 0.00 0.00 0.00 51.96 50.68 1t3v s ALA 36 Cb 0.01 -0.17 1.31 0.00 0.00 0.00 0.00 23.12 24.27 1t3v s ALA 36 CO 0.00 0.20 1.87 0.82 0.00 0.00 0.00 175.76 178.65 1t3v h ILE 37 N 3.08 0.59 0.00 0.00 5.03 -1.85 0.18 117.51 124.55 1t3v h ILE 37 Ca -0.41 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1t3v h ILE 37 Cb 1.21 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 1t3v h ILE 37 CO 0.53 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 178.04 1t3v n ALA 38 N -2.62 0.00 -3.55 1.87 0.00 -1.26 -2.57 120.51 112.38 1t3v n ALA 38 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1t3v n ALA 38 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.29 1t3v n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t3v s ASP 39 N 0.00 -0.34 -0.00 0.00 2.15 -1.26 -5.01 116.67 112.21 1t3v s ASP 39 Ca 0.00 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 52.91 1t3v s ASP 39 Cb 0.00 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 43.03 1t3v s ASP 39 CO 0.00 -0.70 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.62 1t3v s ILE 40 N -3.18 0.44 -0.41 4.11 -1.09 -1.26 -1.67 121.20 118.14 1t3v s ILE 40 Ca 0.06 -0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1t3v s ILE 40 Cb -0.01 -0.38 0.14 0.00 -1.58 0.00 0.00 42.46 40.63 1t3v s ILE 40 CO -0.07 0.10 0.25 -0.44 -1.23 0.00 0.00 174.94 173.55 1t3v s SER 41 N -0.20 3.16 -0.83 3.58 0.01 -0.18 -5.00 113.70 114.24 1t3v s SER 41 Ca 0.02 -2.53 -0.20 0.00 1.31 0.00 0.00 55.95 54.55 1t3v s SER 41 Cb -0.03 -0.72 0.11 0.00 0.21 0.00 0.00 66.02 65.60 1t3v s SER 41 CO -0.00 -0.27 1.04 -0.69 0.41 0.00 0.00 173.24 173.73 1t3v s VAL 42 N 0.57 4.65 0.13 3.43 1.01 -1.26 -0.80 120.40 128.13 1t3v s VAL 42 Ca 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1t3v s VAL 42 Cb -0.20 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 1t3v s VAL 42 CO -0.02 -1.45 0.29 -1.61 0.00 0.00 0.00 175.10 172.31 1t3v s GLU 43 N 2.98 3.48 0.72 2.72 2.02 -0.99 -4.93 118.70 124.69 1t3v s GLU 43 Ca 0.28 -0.43 -0.16 0.00 0.02 0.00 0.00 54.97 54.68 1t3v s GLU 43 Cb -0.10 -2.95 0.01 0.00 0.10 0.00 0.00 34.13 31.19 1t3v s GLU 43 CO -0.03 0.52 1.01 0.39 0.02 0.00 0.00 175.26 177.17 1t3v n GLU 44 N -0.22 0.55 -2.72 1.61 4.71 -1.26 -1.16 120.64 122.15 1t3v n GLU 44 Ca -0.05 0.24 -0.41 0.00 -0.01 0.00 0.00 57.16 56.93 1t3v n GLU 44 Cb 0.53 -2.26 -0.04 0.00 -1.01 0.00 0.00 31.44 28.65 1t3v n GLU 44 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1t3v s ASN 45 N -1.64 7.46 0.00 1.62 3.84 -0.70 -4.65 114.94 120.87 1t3v s ASN 45 Ca 0.74 1.77 0.16 0.00 0.21 0.00 0.00 52.86 55.75 1t3v s ASN 45 Cb -0.35 -2.58 0.69 0.00 -0.55 0.00 0.00 41.25 38.46 1t3v s ASN 45 CO 0.49 -0.11 1.51 -0.81 -2.79 0.00 0.00 177.10 175.39 1t3v n PRO 46 N 3.02 0.02 -2.73 0.43 -0.04 -1.26 -4.09 135.00 130.34 1t3v n PRO 46 Ca 0.03 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1t3v n PRO 46 Cb 0.49 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 1t3v n PRO 46 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t3v n LEU 47 N -1.49 0.38 -0.26 1.53 4.77 -1.26 -4.92 117.00 115.75 1t3v n LEU 47 Ca 0.04 -3.07 -0.01 0.00 -0.03 0.00 0.00 56.01 52.94 1t3v n LEU 47 Cb 0.18 0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.77 1t3v n LEU 47 CO 0.15 1.29 1.19 0.00 -1.33 0.00 0.00 177.39 178.69 1t3v h ALA 48 N 1.95 1.32 0.00 -1.18 0.00 -1.79 -3.37 119.26 116.18 1t3v h ALA 48 Ca -0.26 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1t3v h ALA 48 Cb 1.29 -0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 1t3v h ALA 48 CO 0.03 0.57 -0.21 1.04 0.00 0.00 0.00 179.25 180.69 1t3v n GLN 49 N -4.37 0.53 0.00 0.00 1.13 -1.26 -4.31 117.38 109.11 1t3v n GLN 49 Ca 0.08 -1.28 0.00 0.00 -1.94 0.00 0.00 57.00 53.87 1t3v n GLN 49 Cb 0.07 -0.67 0.00 0.00 0.11 0.00 0.00 30.24 29.75 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1t3v n ASP 50 N 0.81 0.00 0.08 1.08 2.03 -1.26 -5.00 116.55 114.29 1t3v n ASP 50 Ca 0.02 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.33 1t3v n ASP 50 Cb 0.71 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.44 1t3v n ASP 50 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1t3v h HIS 51 N 0.00 0.35 -5.86 -0.67 2.76 -1.91 -3.48 115.15 106.34 1t3v h HIS 51 Ca 0.00 -0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.01 1t3v h HIS 51 Cb 0.00 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 28.87 1t3v h HIS 51 CO 0.00 0.47 -0.93 0.28 -1.30 0.00 0.00 177.93 176.45 1t3v n VAL 52 N -4.23 -7.24 -3.84 5.26 0.31 -1.26 -5.07 118.33 102.26 1t3v n VAL 52 Ca -0.00 0.80 -0.09 0.00 -0.01 0.00 0.00 64.34 65.03 1t3v n VAL 52 Cb 0.30 -5.19 -0.01 0.00 -0.91 0.00 0.00 33.84 28.03 1t3v n VAL 52 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1t3v n HIS 53 N 0.33 -1.32 0.40 3.52 8.25 -1.26 -5.02 115.22 120.12 1t3v n HIS 53 Ca 0.01 -1.58 0.00 0.00 -0.26 0.00 0.00 57.72 55.88 1t3v n HIS 53 Cb 0.43 0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.98 1t3v n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t3v n GLY 54 N -0.40 0.63 0.03 -1.41 0.00 -1.26 -3.72 105.19 99.06 1t3v n GLY 54 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 55 N 0.37 2.73 -0.05 4.61 0.00 -1.26 -3.44 120.51 123.47 1t3v n ALA 55 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.85 1t3v n ALA 55 Cb 0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1t3v n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1t3v h VAL 56 N 0.00 0.36 -0.05 0.00 2.07 -1.91 -1.58 116.25 115.14 1t3v h VAL 56 Ca -0.02 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 1t3v h VAL 56 Cb 1.04 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1t3v h VAL 56 CO 0.00 0.00 -0.63 1.55 0.02 0.00 0.00 177.57 178.51 1t3v h PRO 57 N -0.26 0.18 -0.89 1.57 0.13 -1.88 -3.16 132.00 127.69 1t3v h PRO 57 Ca 0.14 -0.13 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1t3v h PRO 57 Cb 0.48 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.57 1t3v h PRO 57 CO -0.40 0.75 0.58 -0.97 -0.23 0.00 0.00 178.00 177.73 1t3v h ASN 58 N 0.13 0.87 0.35 1.44 -1.24 -1.45 -0.49 115.58 115.18 1t3v h ASN 58 Ca -0.01 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1t3v h ASN 58 Cb 1.14 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 40.01 1t3v h ASN 58 CO 0.09 0.55 -0.22 0.15 -1.29 0.00 0.00 177.43 176.71 1t3v h PHE 59 N 0.98 -0.59 0.00 0.67 3.57 -1.29 -3.22 116.94 117.06 1t3v h PHE 59 Ca 0.39 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1t3v h PHE 59 Cb 0.25 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1t3v h PHE 59 CO -0.00 -0.33 -0.02 -0.39 -2.23 0.00 0.00 178.31 175.34 1t3v h VAL 60 N -0.54 0.25 0.00 1.41 -1.51 -1.39 0.14 116.25 114.61 1t3v h VAL 60 Ca -0.05 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1t3v h VAL 60 Cb 0.43 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1t3v h VAL 60 CO 0.04 0.02 0.00 0.29 -1.23 0.00 0.00 177.57 176.69 1t3v n LYS 61 N -3.40 0.10 0.09 5.19 5.02 -0.24 -1.57 118.16 123.34 1t3v n LYS 61 Ca -0.02 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1t3v n LYS 61 Cb 0.12 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1t3v n LYS 61 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1t3v n GLU 62 N -1.87 0.54 -0.61 1.97 -0.00 0.47 -4.48 120.64 116.66 1t3v n GLU 62 Ca 0.03 0.09 -0.07 0.00 -0.00 0.00 0.00 57.16 57.21 1t3v n GLU 62 Cb 0.21 -1.77 0.02 0.00 -0.00 0.00 0.00 31.44 29.90 1t3v n GLU 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1t3v n LYS 63 N -2.52 1.34 -1.39 3.44 4.76 -0.61 -4.82 118.16 118.36 1t3v n LYS 63 Ca 0.00 -0.69 -0.14 0.00 -2.87 0.00 0.00 58.31 54.61 1t3v n LYS 63 Cb 0.53 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.39 1t3v n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t3v n GLY 64 N 0.86 1.37 3.90 0.72 0.00 -1.26 -4.91 105.19 105.87 1t3v n GLY 64 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1t3v n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 65 N -2.19 2.16 0.11 4.61 0.00 -1.26 -4.69 121.76 120.51 1t3v s ALA 65 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1t3v s ALA 65 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1t3v s ALA 65 CO 0.00 -2.42 0.00 0.39 0.00 0.00 0.00 175.76 173.73 1t3v n GLU 66 N -3.78 0.00 -4.20 0.00 1.02 -1.13 -4.80 120.64 107.74 1t3v n GLU 66 Ca 0.14 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1t3v n GLU 66 Cb 0.60 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.95 1t3v n GLU 66 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1t3v s LEU 67 N -5.66 3.42 -0.00 -4.62 2.96 0.54 -1.31 118.68 114.00 1t3v s LEU 67 Ca 0.00 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1t3v s LEU 67 Cb 0.00 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1t3v s LEU 67 CO 0.00 0.04 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.34 1t3v s VAL 68 N -1.96 0.35 -0.19 1.68 1.01 0.37 -1.28 120.40 120.37 1t3v s VAL 68 Ca 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1t3v s VAL 68 Cb -0.08 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 36.05 1t3v s VAL 68 CO 0.20 0.10 -0.00 -0.63 0.00 0.00 0.00 175.10 174.77 1t3v s ILE 69 N -0.06 0.87 0.06 2.22 1.01 0.71 -0.59 121.20 125.42 1t3v s ILE 69 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1t3v s ILE 69 Cb -0.02 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1t3v s ILE 69 CO -0.00 -0.10 -0.06 0.68 0.00 0.00 0.00 174.94 175.46 1t3v s VAL 70 N 1.71 0.46 -0.13 2.92 -7.23 -0.60 -4.21 120.40 113.33 1t3v s VAL 70 Ca -0.02 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 1t3v s VAL 70 Cb -0.17 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1t3v s VAL 70 CO -0.07 -0.69 -0.21 -1.14 -0.31 0.00 0.00 175.10 172.68 1t3v n ARG 71 N 0.70 0.39 -0.11 4.82 0.63 -1.26 -1.15 116.66 120.69 1t3v n ARG 71 Ca -0.18 0.32 -0.19 0.00 -0.92 0.00 0.00 57.85 56.88 1t3v n ARG 71 Cb 0.58 -1.36 -0.07 0.00 0.45 0.00 0.00 32.46 32.06 1t3v n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3v n GLY 72 N 1.56 -0.62 7.00 5.14 0.00 -0.51 -3.88 105.19 113.88 1t3v n GLY 72 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1t3v n GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t3v n ILE 73 N -4.40 0.00 -3.63 -0.61 3.06 -1.14 -5.02 119.36 107.62 1t3v n ILE 73 Ca -0.32 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 59.92 1t3v n ILE 73 Cb 0.65 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.82 1t3v n ILE 73 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1t3v s GLY 74 N -1.24 -0.36 0.41 4.50 0.00 -1.26 -4.87 107.32 104.50 1t3v s GLY 74 Ca 0.00 0.81 0.10 0.00 0.00 0.00 0.00 44.72 45.63 1t3v s GLY 74 CO 0.00 0.20 1.95 -0.09 0.00 0.00 0.00 173.10 175.16 1t3v h ARG 75 N 2.00 0.21 -0.45 2.90 9.65 -1.99 -1.89 114.38 124.82 1t3v h ARG 75 Ca -0.24 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.53 1t3v h ARG 75 Cb 1.20 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 1t3v h ARG 75 CO 0.27 0.32 0.01 -0.09 2.80 0.00 0.00 179.97 183.28 1t3v h ARG 76 N 0.21 0.72 -0.13 0.20 9.65 -1.98 -0.88 114.38 122.16 1t3v h ARG 76 Ca 0.04 -0.18 -0.21 0.00 -1.10 0.00 0.00 59.98 58.53 1t3v h ARG 76 Cb 0.31 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1t3v h ARG 76 CO 0.02 0.73 -0.75 0.00 2.80 0.00 0.00 179.97 182.76 1t3v h ALA 77 N 1.33 0.27 -0.80 2.80 0.00 -1.79 -2.80 119.26 118.28 1t3v h ALA 77 Ca 0.14 -0.59 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1t3v h ALA 77 Cb 0.40 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1t3v h ALA 77 CO 0.01 0.63 0.32 0.82 0.00 0.00 0.00 179.25 181.03 1t3v h ILE 78 N 0.45 0.61 0.00 0.00 5.03 -1.20 -0.35 117.51 122.04 1t3v h ILE 78 Ca -0.06 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1t3v h ILE 78 Cb 1.39 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 1t3v h ILE 78 CO 0.15 0.08 0.00 0.00 -0.68 0.00 0.00 178.15 177.70 1t3v n ALA 79 N -2.52 1.13 -0.05 1.87 0.00 -0.36 -0.95 120.51 119.63 1t3v n ALA 79 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.62 1t3v n ALA 79 Cb 0.48 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1t3v n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v h ALA 80 N 2.08 0.00 -0.78 0.00 0.00 -1.04 -3.17 119.26 116.35 1t3v h ALA 80 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1t3v h ALA 80 Cb 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1t3v h ALA 80 CO 0.00 0.01 -0.36 0.34 0.00 0.00 0.00 179.25 179.24 1t3v n PHE 81 N -4.75 -0.11 0.47 0.00 7.35 -1.07 -1.29 117.46 118.05 1t3v n PHE 81 Ca -0.02 0.97 0.07 0.00 -0.76 0.00 0.00 57.45 57.71 1t3v n PHE 81 Cb 0.08 -0.71 0.29 0.00 0.35 0.00 0.00 39.48 39.49 1t3v n PHE 81 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1t3v n GLU 82 N -5.09 0.00 0.11 -4.13 -0.58 -0.13 -0.10 120.64 110.73 1t3v n GLU 82 Ca 0.06 0.27 -0.04 0.00 -0.42 0.00 0.00 57.16 57.03 1t3v n GLU 82 Cb 0.27 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.75 1t3v n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1t3v h ALA 83 N 2.46 0.83 0.00 0.62 0.00 -1.16 -3.39 119.26 118.63 1t3v h ALA 83 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1t3v h ALA 83 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t3v h ALA 83 CO 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 179.25 179.95 1t3v n MET 84 N -3.76 1.06 -2.13 0.00 0.00 0.86 -4.99 117.12 108.17 1t3v n MET 84 Ca -0.02 -1.38 -0.18 0.00 0.00 0.00 0.00 57.70 56.12 1t3v n MET 84 Cb 0.67 -0.87 -0.03 0.00 0.00 0.00 0.00 33.22 32.99 1t3v n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1t3v n GLY 85 N -0.48 0.21 3.59 3.17 0.00 0.51 -4.89 105.19 107.30 1t3v n GLY 85 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1t3v n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3v s VAL 86 N -2.78 4.10 0.29 1.61 1.01 -0.60 -4.93 120.40 119.09 1t3v s VAL 86 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 1t3v s VAL 86 Cb 0.00 -4.64 -0.13 0.00 0.00 0.00 0.00 36.38 31.61 1t3v s VAL 86 CO 0.00 -1.15 1.19 1.17 0.00 0.00 0.00 175.10 176.31 1t3v n LYS 87 N 8.14 1.73 -3.89 2.72 3.00 -0.43 -4.58 118.16 124.86 1t3v n LYS 87 Ca 0.11 0.61 -0.30 0.00 -0.00 0.00 0.00 58.31 58.73 1t3v n LYS 87 Cb 0.49 -2.11 -0.14 0.00 0.00 0.00 0.00 35.03 33.26 1t3v n LYS 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1t3v s VAL 88 N -0.84 1.93 0.22 3.15 1.01 -1.26 -0.48 120.40 124.13 1t3v s VAL 88 Ca 0.60 -2.46 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 1t3v s VAL 88 Cb -0.66 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 1t3v s VAL 88 CO 0.58 -0.72 0.92 -0.63 0.00 0.00 0.00 175.10 175.26 1t3v s ILE 89 N 0.63 4.15 0.11 2.22 1.01 0.24 -4.68 121.20 124.89 1t3v s ILE 89 Ca 0.14 2.04 0.06 0.00 0.00 0.00 0.00 60.65 62.88 1t3v s ILE 89 Cb -0.21 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1t3v s ILE 89 CO -0.08 0.49 -0.14 -0.54 0.00 0.00 0.00 174.94 174.67 1t3v s LYS 90 N -1.06 0.98 0.00 2.79 3.01 -1.01 -1.55 119.74 122.90 1t3v s LYS 90 Ca 0.41 -1.19 0.00 0.00 -1.01 0.00 0.00 55.97 54.18 1t3v s LYS 90 Cb -0.25 -0.86 0.00 0.00 -1.01 0.00 0.00 37.83 35.71 1t3v s LYS 90 CO 0.31 0.17 0.00 0.41 0.51 0.00 0.00 175.35 176.75 1t3v n GLY 91 N 0.64 1.05 3.78 -3.33 0.00 -0.30 -4.57 105.19 102.46 1t3v n GLY 91 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v s ALA 92 N -2.00 2.41 -0.27 4.61 0.00 -1.24 -4.99 121.76 120.28 1t3v s ALA 92 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 1t3v s ALA 92 Cb 0.00 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1t3v s ALA 92 CO 0.00 -1.46 0.68 -1.54 0.00 0.00 0.00 175.76 173.44 1t3v s SER 93 N -3.05 -0.92 0.00 0.00 1.04 -1.26 -4.57 113.70 104.94 1t3v s SER 93 Ca 0.63 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.55 1t3v s SER 93 Cb -0.18 1.36 0.00 0.00 0.10 0.00 0.00 66.02 67.30 1t3v s SER 93 CO 0.49 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1t3v n GLY 94 N 4.27 0.34 3.21 7.32 0.00 -1.26 -4.92 105.19 114.16 1t3v n GLY 94 Ca -0.20 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1t3v n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3v s THR 95 N -0.16 0.96 0.13 2.61 -4.23 -1.26 -2.39 115.64 111.29 1t3v s THR 95 Ca 0.00 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 1t3v s THR 95 Cb 0.00 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1t3v s THR 95 CO 0.00 -0.78 1.66 0.58 -0.54 0.00 0.00 174.62 175.54 1t3v h VAL 96 N 2.93 1.20 0.00 2.29 2.07 -0.96 0.15 116.25 123.93 1t3v h VAL 96 Ca -0.36 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1t3v h VAL 96 Cb 1.18 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1t3v h VAL 96 CO 0.63 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 176.61 1t3v n GLU 97 N -4.64 0.07 -0.11 1.57 0.28 -1.10 -2.20 120.64 114.51 1t3v n GLU 97 Ca -0.01 0.43 -0.18 0.00 -0.16 0.00 0.00 57.16 57.24 1t3v n GLU 97 Cb 0.16 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.27 1t3v n GLU 97 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1t3v n GLU 98 N -1.80 0.52 -0.24 3.44 2.13 -0.51 -3.80 120.64 120.37 1t3v n GLU 98 Ca 0.01 0.16 0.01 0.00 0.66 0.00 0.00 57.16 58.00 1t3v n GLU 98 Cb 0.11 -1.39 0.08 0.00 0.27 0.00 0.00 31.44 30.51 1t3v n GLU 98 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1t3v h VAL 99 N -0.29 0.30 -0.62 6.31 2.07 -0.59 0.25 116.25 123.67 1t3v h VAL 99 Ca -0.52 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1t3v h VAL 99 Cb 1.66 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1t3v h VAL 99 CO -0.17 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.13 1t3v h VAL 100 N 0.00 1.25 0.09 2.57 2.07 -1.65 -1.76 116.25 118.83 1t3v h VAL 100 Ca 0.34 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1t3v h VAL 100 Cb 0.53 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1t3v h VAL 100 CO -0.72 0.35 -0.04 -1.13 0.02 0.00 0.00 177.57 176.04 1t3v h ASN 101 N 0.93 -0.11 -0.84 0.57 -0.73 -1.16 -1.75 115.58 112.51 1t3v h ASN 101 Ca 0.20 -0.09 0.09 0.00 1.87 0.00 0.00 56.30 58.37 1t3v h ASN 101 Cb 0.36 0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.92 1t3v h ASN 101 CO 0.00 0.02 0.54 1.56 -0.37 0.00 0.00 177.43 179.19 1t3v h GLN 102 N -0.22 0.78 0.02 6.67 4.20 -0.00 0.35 115.11 126.91 1t3v h GLN 102 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1t3v h GLN 102 Cb 0.19 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1t3v h GLN 102 CO 0.02 0.52 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.77 1t3v h TYR 103 N 0.81 -0.02 -0.06 2.96 3.20 -1.34 -2.07 116.97 120.45 1t3v h TYR 103 Ca 0.38 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 1t3v h TYR 103 Cb 0.41 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1t3v h TYR 103 CO -0.00 0.47 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.81 1t3v h LEU 104 N -0.53 0.08 0.00 2.82 3.38 -0.31 0.05 115.31 120.80 1t3v h LEU 104 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1t3v h LEU 104 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1t3v h LEU 104 CO 0.00 0.20 0.00 -1.20 0.09 0.00 0.00 178.44 177.54 1t3v n SER 105 N -4.36 0.00 0.00 -0.43 7.64 0.11 -4.88 113.62 111.70 1t3v n SER 105 Ca -0.02 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1t3v n SER 105 Cb 0.21 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1t3v n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3v n GLY 106 N 0.50 1.80 0.13 0.23 0.00 0.00 -4.89 105.19 102.96 1t3v n GLY 106 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1t3v n GLY 106 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t3v h GLN 107 N 2.83 0.34 -6.61 1.61 1.08 -1.56 -3.45 115.11 109.35 1t3v h GLN 107 Ca 0.00 -0.28 -0.52 0.00 -1.45 0.00 0.00 58.65 56.40 1t3v h GLN 107 Cb 0.00 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1t3v h GLN 107 CO 0.00 0.92 0.44 -1.17 -0.95 0.00 0.00 178.83 178.08 1t3v s LEU 108 N -8.67 4.48 0.38 1.46 2.96 -1.08 -5.00 118.68 113.22 1t3v s LEU 108 Ca -0.14 1.98 -0.14 0.00 -0.22 0.00 0.00 54.13 55.61 1t3v s LEU 108 Cb 0.04 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.18 1t3v s LEU 108 CO 0.78 -0.19 0.76 -0.75 -1.32 0.00 0.00 176.35 175.62 1t3v s LYS 109 N -0.11 2.20 -0.04 1.98 2.20 -1.26 -4.79 119.74 119.92 1t3v s LYS 109 Ca 0.49 -1.47 0.06 0.00 -0.36 0.00 0.00 55.97 54.69 1t3v s LYS 109 Cb -0.27 0.61 0.09 0.00 -1.51 0.00 0.00 37.83 36.75 1t3v s LYS 109 CO 0.33 -1.02 0.98 -0.40 -0.36 0.00 0.00 175.35 174.88 1t3v n ASP 110 N -1.41 1.66 0.00 1.43 5.75 -1.26 -2.39 116.55 120.32 1t3v n ASP 110 Ca -0.07 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1t3v n ASP 110 Cb 0.60 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1t3v n ASP 110 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1t3v n SER 111 N -0.69 0.00 -3.54 -1.12 2.88 -1.26 -4.67 113.62 105.23 1t3v n SER 111 Ca 0.05 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.44 1t3v n SER 111 Cb 0.45 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 1t3v n SER 111 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t3v s ASP 112 N -4.00 0.81 0.00 -3.46 -1.08 -1.26 -5.06 116.67 102.62 1t3v s ASP 112 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 1t3v s ASP 112 Cb 0.00 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 42.08 1t3v s ASP 112 CO 0.00 -0.29 0.46 0.00 0.52 0.00 0.00 175.17 175.86 1t3v n TYR 113 N 5.34 0.00 -1.82 -5.34 9.36 -1.26 -4.97 117.16 118.47 1t3v n TYR 113 Ca -0.05 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.10 1t3v n TYR 113 Cb 0.50 0.10 0.12 0.00 -0.63 0.00 0.00 39.34 39.43 1t3v n TYR 113 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1t3v n GLU 114 N 0.00 2.41 -1.53 2.98 1.02 -1.26 -5.04 120.64 119.22 1t3v n GLU 114 Ca 0.00 -3.64 -0.48 0.00 -0.02 0.00 0.00 57.16 53.01 1t3v n GLU 114 Cb 0.54 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1t3v n GLU 114 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1t3v n VAL 115 N -0.90 1.41 -2.04 2.62 0.24 -1.26 -4.92 118.33 113.48 1t3v n VAL 115 Ca 0.29 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.34 61.99 1t3v n VAL 115 Cb 0.82 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 1t3v n VAL 115 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t3v n HIS 116 N 0.75 2.80 -0.01 6.34 1.44 -1.26 -4.62 115.22 120.66 1t3v n HIS 116 Ca 0.15 -2.29 -0.00 0.00 -2.01 0.00 0.00 57.72 53.56 1t3v n HIS 116 Cb 0.25 -0.34 -0.02 0.00 0.12 0.00 0.00 29.99 30.01 1t3v n HIS 116 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1t3v n ASP 117 N -0.70 4.50 -3.94 4.39 5.75 -1.26 -5.09 116.55 120.20 1t3v n ASP 117 Ca 0.44 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 55.12 1t3v n ASP 117 Cb 0.94 0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 41.68 1t3v n ASP 117 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1t3v s HIS 118 N -2.08 0.20 0.05 2.11 5.04 -1.26 -5.17 115.29 114.18 1t3v s HIS 118 Ca -0.01 -0.45 -0.02 0.00 -1.54 0.00 0.00 55.06 53.04 1t3v s HIS 118 Cb 0.01 -0.15 0.01 0.00 0.04 0.00 0.00 32.58 32.48 1t3v s HIS 118 CO 0.09 -0.28 0.10 -2.39 -2.34 0.00 0.00 174.74 169.92 1t3v n HIS 119 N 1.23 -1.16 -2.59 3.88 1.44 -1.26 -5.06 115.22 111.71 1t3v n HIS 119 Ca -0.22 -0.25 -0.14 0.00 -2.01 0.00 0.00 57.72 55.10 1t3v n HIS 119 Cb 0.56 0.12 0.02 0.00 0.12 0.00 0.00 29.99 30.82 1t3v n HIS 119 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1t3v n HIS 120 N -0.07 1.92 -1.14 -1.40 -0.00 -1.26 -5.04 115.22 108.23 1t3v n HIS 120 Ca -0.01 -2.79 0.14 0.00 0.46 0.00 0.00 57.72 55.52 1t3v n HIS 120 Cb 0.08 -0.27 -0.04 0.00 -0.12 0.00 0.00 29.99 29.63 1t3v n HIS 120 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1t3v n HIS 121 N -0.28 -2.70 0.00 1.57 8.25 -1.26 -4.77 115.22 116.03 1t3v n HIS 121 Ca 0.20 1.39 0.00 0.00 -0.26 0.00 0.00 57.72 59.04 1t3v n HIS 121 Cb 0.78 -2.45 0.00 0.00 1.12 0.00 0.00 29.99 29.44 1t3v n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1t3v n GLU 122 N -3.51 0.00 -1.87 -0.41 1.02 -1.26 -5.09 120.64 109.52 1t3v n GLU 122 Ca -0.02 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1t3v n GLU 122 Cb 0.63 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1t3v n HIS 123 N -1.49 -3.40 1.15 -0.32 -0.00 -1.26 -5.16 115.22 104.74 1t3v n HIS 123 Ca 0.00 2.03 0.09 0.00 -0.00 0.00 0.00 57.72 59.84 1t3v n HIS 123 Cb 0.00 -3.27 0.55 0.00 -0.00 0.00 0.00 29.99 27.27 1t3v n HIS 123 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06