#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 0.04 -0.29 1.12 1.01 -1.26 -3.34 121.20 118.48 1t3v s ILE 2 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1t3v s ILE 2 Cb 0.00 -0.12 0.08 0.00 0.01 0.00 0.00 42.46 42.43 1t3v s ILE 2 CO 0.00 -0.20 0.02 -0.63 0.00 0.00 0.00 174.94 174.14 1t3v s ILE 3 N -0.58 1.52 0.28 2.92 1.01 0.97 -0.84 121.20 126.48 1t3v s ILE 3 Ca -0.06 -1.57 -0.24 0.00 0.00 0.00 0.00 60.65 58.77 1t3v s ILE 3 Cb -0.04 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1t3v s ILE 3 CO -0.00 -0.42 0.86 0.00 0.00 0.00 0.00 174.94 175.38 1t3v s ALA 4 N 1.33 3.30 -0.23 9.38 0.00 -0.55 -0.72 121.76 134.27 1t3v s ALA 4 Ca 0.04 0.40 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 1t3v s ALA 4 Cb -0.18 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 19.99 1t3v s ALA 4 CO -0.12 0.24 0.24 0.42 0.00 0.00 0.00 175.76 176.53 1t3v s ILE 5 N -1.54 -0.33 -0.24 0.00 1.01 0.36 -0.57 121.20 119.89 1t3v s ILE 5 Ca 0.46 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 1t3v s ILE 5 Cb -0.19 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 1t3v s ILE 5 CO 0.23 -0.31 1.23 -2.16 0.00 0.00 0.00 174.94 173.93 1t3v s PRO 6 N 2.32 4.11 0.26 2.79 0.04 -1.26 -1.21 135.00 142.04 1t3v s PRO 6 Ca 0.08 1.41 0.09 0.00 0.04 0.00 0.00 61.00 62.62 1t3v s PRO 6 Cb -0.15 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1t3v s PRO 6 CO -0.19 -0.86 0.02 0.14 0.04 0.00 0.00 177.00 176.14 1t3v s VAL 7 N 3.79 3.56 -0.90 -0.36 -7.23 -1.26 -0.64 120.40 117.37 1t3v s VAL 7 Ca 0.53 -1.84 0.26 0.00 -1.81 0.00 0.00 61.98 59.12 1t3v s VAL 7 Cb -0.18 -2.90 0.12 0.00 0.56 0.00 0.00 36.38 33.98 1t3v s VAL 7 CO 0.17 -0.36 1.61 -1.54 -0.31 0.00 0.00 175.10 174.66 1t3v n SER 8 N -0.89 0.42 -4.00 4.85 3.41 0.43 -4.02 113.62 113.82 1t3v n SER 8 Ca -0.07 0.17 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 1t3v n SER 8 Cb 0.59 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 1t3v n SER 8 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1t3v s GLU 9 N -3.05 1.53 -0.51 4.33 2.02 -1.26 -4.89 118.70 116.87 1t3v s GLU 9 Ca 0.11 -1.29 -0.16 0.00 0.02 0.00 0.00 54.97 53.65 1t3v s GLU 9 Cb 0.17 0.46 0.09 0.00 0.10 0.00 0.00 34.13 34.94 1t3v s GLU 9 CO 0.64 -0.63 0.49 1.21 0.02 0.00 0.00 175.26 176.99 1t3v s ASN 10 N -3.03 6.17 -0.23 -0.19 3.84 -1.26 -4.69 114.94 115.55 1t3v s ASN 10 Ca 0.24 -1.43 0.22 0.00 0.21 0.00 0.00 52.86 52.09 1t3v s ASN 10 Cb -0.00 -2.22 0.49 0.00 -0.55 0.00 0.00 41.25 38.98 1t3v s ASN 10 CO 0.09 -0.79 1.13 0.54 -2.79 0.00 0.00 177.10 175.28 1t3v n ARG 11 N 5.45 1.69 0.00 0.43 1.74 -1.26 -4.95 116.66 119.76 1t3v n ARG 11 Ca -0.12 -3.38 0.00 0.00 -0.77 0.00 0.00 57.85 53.58 1t3v n ARG 11 Cb 0.43 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.48 2.37 0.37 -0.13 0.00 -1.26 -0.24 105.19 105.82 1t3v n GLY 12 Ca 0.11 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 0.57 0.00 1.61 -0.00 -1.99 -2.08 116.57 114.67 1t3v h LYS 13 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 1t3v h LYS 13 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 32.23 32.10 1t3v h LYS 13 CO 0.00 0.38 0.00 -0.25 -0.00 0.00 0.00 179.45 179.58 1t3v n ASP 14 N -4.52 0.00 -4.50 7.07 8.00 0.66 -2.52 116.55 120.74 1t3v n ASP 14 Ca 0.16 0.01 -0.50 0.00 0.71 0.00 0.00 54.79 55.17 1t3v n ASP 14 Cb 0.47 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1t3v n SER 15 N -1.31 2.43 -4.74 -2.24 7.64 -0.79 -4.72 113.62 109.89 1t3v n SER 15 Ca 0.11 0.46 -0.41 0.00 1.01 0.00 0.00 58.87 60.03 1t3v n SER 15 Cb 0.21 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.07 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 5.94 4.32 0.42 1.43 0.04 -1.26 -1.08 135.00 144.80 1t3v s PRO 16 Ca 1.06 2.18 -0.26 0.00 0.04 0.00 0.00 61.00 64.03 1t3v s PRO 16 Cb -0.77 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 30.53 1t3v s PRO 16 CO 0.48 -0.35 1.32 -1.50 0.04 0.00 0.00 177.00 176.99 1t3v s ILE 17 N 0.15 2.51 0.37 0.56 2.07 -0.26 -0.43 121.20 126.17 1t3v s ILE 17 Ca 0.59 0.46 -0.06 0.00 -1.41 0.00 0.00 60.65 60.23 1t3v s ILE 17 Cb -0.39 -3.27 0.08 0.00 0.13 0.00 0.00 42.46 39.01 1t3v s ILE 17 CO 0.40 0.06 0.50 -0.24 -1.91 0.00 0.00 174.94 173.76 1t3v n SER 18 N 0.03 0.09 -0.10 4.50 2.88 0.19 -4.34 113.62 116.87 1t3v n SER 18 Ca 0.04 -1.21 -0.24 0.00 -1.33 0.00 0.00 58.87 56.13 1t3v n SER 18 Cb 0.43 -0.38 -0.12 0.00 -0.75 0.00 0.00 64.21 63.40 1t3v n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t3v n GLU 19 N -2.06 0.62 -3.39 -1.46 1.02 -1.26 -4.50 120.64 109.60 1t3v n GLU 19 Ca 0.06 0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 57.39 1t3v n GLU 19 Cb 0.22 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1t3v n GLU 19 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1t3v s HIS 20 N -2.46 3.10 0.00 -0.32 3.76 -1.26 -0.15 115.29 117.95 1t3v s HIS 20 Ca -0.31 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 1t3v s HIS 20 Cb 0.09 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1t3v s HIS 20 CO 0.60 -0.08 0.00 0.34 -0.85 0.00 0.00 174.74 174.75 1t3v n PHE 21 N -1.70 0.00 1.12 1.40 -0.00 -1.26 -4.38 117.46 112.64 1t3v n PHE 21 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1t3v n PHE 21 Cb 0.58 0.01 0.00 0.00 -0.00 0.00 0.00 39.48 40.07 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 3.00 0.57 1.83 7.13 0.00 -1.26 -2.54 105.19 113.92 1t3v n GLY 22 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.11 0.46 -2.54 1.61 -4.01 -1.26 -4.91 116.66 105.90 1t3v n ARG 23 Ca 0.00 -0.43 -0.33 0.00 -1.04 0.00 0.00 57.85 56.04 1t3v n ARG 23 Cb 0.14 0.18 -0.04 0.00 -3.04 0.00 0.00 32.46 29.71 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1t3v s ALA 24 N 0.04 2.91 -0.14 2.89 0.00 -1.05 -4.90 121.76 121.51 1t3v s ALA 24 Ca 0.03 0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.71 1t3v s ALA 24 Cb 0.15 -3.22 0.53 0.00 0.00 0.00 0.00 23.12 20.59 1t3v s ALA 24 CO -0.04 -0.26 1.66 -1.00 0.00 0.00 0.00 175.76 176.12 1t3v h PRO 25 N 1.47 0.00 -4.18 0.00 0.13 -1.86 -3.39 132.00 124.16 1t3v h PRO 25 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 1t3v h PRO 25 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1t3v h PRO 25 CO 0.59 0.21 -0.35 0.71 -0.23 0.00 0.00 178.00 178.94 1t3v s TYR 26 N -3.30 0.89 -0.19 1.56 1.51 -1.26 -1.99 117.35 114.57 1t3v s TYR 26 Ca 0.04 -1.15 -0.03 0.00 -1.01 0.00 0.00 57.07 54.93 1t3v s TYR 26 Cb 0.08 -0.21 0.06 0.00 -0.11 0.00 0.00 41.96 41.78 1t3v s TYR 26 CO 0.67 -0.88 0.03 -0.06 -1.11 0.00 0.00 175.55 174.20 1t3v s PHE 27 N -3.84 1.11 -0.69 2.71 0.08 -0.26 -4.08 117.98 113.01 1t3v s PHE 27 Ca 0.31 -0.90 -0.27 0.00 0.12 0.00 0.00 56.93 56.19 1t3v s PHE 27 Cb 0.02 -1.06 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 1t3v s PHE 27 CO 0.14 -0.61 1.27 0.00 -0.10 0.00 0.00 175.22 175.91 1t3v s ALA 28 N 1.83 2.81 -0.56 5.36 0.00 -0.35 -2.92 121.76 127.92 1t3v s ALA 28 Ca -0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 51.96 50.53 1t3v s ALA 28 Cb -0.17 -4.20 0.05 0.00 0.00 0.00 0.00 23.12 18.80 1t3v s ALA 28 CO -0.08 -3.13 0.86 -0.06 0.00 0.00 0.00 175.76 173.36 1t3v s PHE 29 N 5.60 2.84 0.46 0.00 0.08 0.03 -0.49 117.98 126.51 1t3v s PHE 29 Ca 0.38 -0.24 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 1t3v s PHE 29 Cb -0.08 -3.97 -0.05 0.00 -0.57 0.00 0.00 43.02 38.34 1t3v s PHE 29 CO 0.18 -1.32 0.83 0.08 -0.10 0.00 0.00 175.22 174.89 1t3v s VAL 30 N 3.61 4.79 0.00 -0.44 1.01 0.10 -1.44 120.40 128.03 1t3v s VAL 30 Ca 0.25 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1t3v s VAL 30 Cb -0.15 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1t3v s VAL 30 CO 0.16 -0.71 0.00 0.29 0.00 0.00 0.00 175.10 174.84 1t3v n LYS 31 N -1.77 1.82 -3.77 2.72 5.02 0.06 -0.02 118.16 122.22 1t3v n LYS 31 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 1t3v n LYS 31 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.46 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 1.34 0.04 -0.05 -0.18 0.11 -1.19 -4.50 120.40 115.98 1t3v s VAL 32 Ca 0.00 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 1t3v s VAL 32 Cb 0.00 -0.56 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1t3v s VAL 32 CO 0.00 -0.20 0.09 -0.75 -3.33 0.00 0.00 175.10 170.91 1t3v s LYS 33 N -0.94 -0.02 -1.99 1.54 2.47 -0.15 -4.69 119.74 115.95 1t3v s LYS 33 Ca -0.10 0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 1t3v s LYS 33 Cb -0.05 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 35.96 1t3v s LYS 33 CO 0.03 -0.27 0.00 0.09 0.16 0.00 0.00 175.35 175.36 1t3v n ASN 34 N 4.97 -5.29 0.00 1.43 4.13 -1.26 -0.96 115.26 118.27 1t3v n ASN 34 Ca -0.11 0.45 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1t3v n ASN 34 Cb 0.50 -4.46 0.00 0.00 -1.54 0.00 0.00 39.78 34.28 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1t3v n ASN 35 N -1.09 -1.82 -4.81 6.41 5.15 -1.26 -5.08 115.26 112.77 1t3v n ASN 35 Ca -0.19 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.56 1t3v n ASN 35 Cb 0.63 -0.30 -0.05 0.00 -0.53 0.00 0.00 39.78 39.52 1t3v n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1t3v s ALA 36 N -2.11 3.83 0.42 5.20 0.00 -0.13 -5.03 121.76 123.93 1t3v s ALA 36 Ca 0.00 -1.99 0.33 0.00 0.00 0.00 0.00 51.96 50.30 1t3v s ALA 36 Cb 0.00 -0.68 1.68 0.00 0.00 0.00 0.00 23.12 24.13 1t3v s ALA 36 CO 0.00 -0.20 2.14 0.82 0.00 0.00 0.00 175.76 178.51 1t3v h ILE 37 N 1.23 0.32 0.00 0.00 5.03 -1.83 -0.38 117.51 121.88 1t3v h ILE 37 Ca -0.42 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.94 1t3v h ILE 37 Cb 1.26 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 36.33 1t3v h ILE 37 CO 0.64 0.06 0.00 0.00 -0.68 0.00 0.00 178.15 178.17 1t3v n ALA 38 N -2.20 0.00 -3.30 1.87 0.00 -1.26 -2.97 120.51 112.64 1t3v n ALA 38 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1t3v n ALA 38 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.88 -0.45 -0.11 0.00 -1.08 -1.26 -4.99 116.67 107.89 1t3v s ASP 39 Ca 0.00 0.10 0.03 0.00 -0.52 0.00 0.00 52.55 52.16 1t3v s ASP 39 Cb 0.00 0.52 0.01 0.00 -1.46 0.00 0.00 42.92 41.98 1t3v s ASP 39 CO 0.00 -0.79 -0.21 -0.63 0.52 0.00 0.00 175.17 174.06 1t3v s ILE 40 N -2.87 1.88 -0.39 4.11 -1.09 -1.26 -0.76 121.20 120.82 1t3v s ILE 40 Ca -0.03 -0.90 0.04 0.00 -2.23 0.00 0.00 60.65 57.53 1t3v s ILE 40 Cb -0.00 -1.65 0.11 0.00 -1.58 0.00 0.00 42.46 39.33 1t3v s ILE 40 CO -0.05 0.52 0.11 -0.55 -1.23 0.00 0.00 174.94 173.74 1t3v s SER 41 N 0.61 4.61 -0.89 3.58 0.15 -0.52 -5.01 113.70 116.23 1t3v s SER 41 Ca -0.13 -2.37 0.01 0.00 0.70 0.00 0.00 55.95 54.16 1t3v s SER 41 Cb -0.17 -1.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.87 1t3v s SER 41 CO 0.04 -0.34 1.49 0.55 1.20 0.00 0.00 173.24 176.18 1t3v n VAL 42 N 3.96 5.01 -2.80 4.45 3.14 -1.26 -0.79 118.33 130.04 1t3v n VAL 42 Ca 0.04 -5.84 -0.33 0.00 -2.96 0.00 0.00 64.34 55.25 1t3v n VAL 42 Cb 0.39 -1.58 -0.07 0.00 -1.06 0.00 0.00 33.84 31.53 1t3v n VAL 42 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1t3v s GLU 43 N -3.87 4.22 0.93 1.45 0.41 -1.15 -4.88 118.70 115.81 1t3v s GLU 43 Ca 0.41 1.15 -0.11 0.00 -0.41 0.00 0.00 54.97 56.01 1t3v s GLU 43 Cb 0.20 -2.22 0.15 0.00 -1.78 0.00 0.00 34.13 30.48 1t3v s GLU 43 CO -0.11 -0.04 1.10 -1.21 -0.49 0.00 0.00 175.26 174.51 1t3v s GLU 44 N -3.11 0.99 -0.34 1.61 8.01 -1.26 -1.10 118.70 123.50 1t3v s GLU 44 Ca 0.62 1.11 -0.26 0.00 0.01 0.00 0.00 54.97 56.45 1t3v s GLU 44 Cb -0.10 -1.76 0.01 0.00 -4.31 0.00 0.00 34.13 27.97 1t3v s GLU 44 CO 0.14 -2.51 0.91 1.21 0.01 0.00 0.00 175.26 175.03 1t3v s ASN 45 N -3.04 6.73 0.00 -0.19 3.84 -0.84 -4.39 114.94 117.05 1t3v s ASN 45 Ca 0.65 0.70 0.13 0.00 0.21 0.00 0.00 52.86 54.55 1t3v s ASN 45 Cb -0.20 -2.46 0.64 0.00 -0.55 0.00 0.00 41.25 38.67 1t3v s ASN 45 CO 0.58 -0.79 1.37 -0.81 -2.79 0.00 0.00 177.10 174.66 1t3v n PRO 46 N 6.61 0.13 -2.63 0.43 -0.04 -1.26 -2.09 135.00 136.16 1t3v n PRO 46 Ca 0.07 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.67 1t3v n PRO 46 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.35 2.32 -0.11 1.53 4.77 -1.26 -4.87 117.00 118.02 1t3v n LEU 47 Ca 0.05 -3.40 0.02 0.00 -0.03 0.00 0.00 56.01 52.65 1t3v n LEU 47 Cb 0.12 0.29 0.32 0.00 -2.33 0.00 0.00 43.42 41.81 1t3v n LEU 47 CO 0.11 1.27 1.18 0.00 -1.33 0.00 0.00 177.39 178.61 1t3v h ALA 48 N 2.49 1.54 0.00 -1.18 0.00 -1.62 -3.36 119.26 117.13 1t3v h ALA 48 Ca -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1t3v h ALA 48 Cb 1.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1t3v h ALA 48 CO 0.31 0.41 -0.12 0.94 0.00 0.00 0.00 179.25 180.79 1t3v n GLN 49 N -4.42 0.00 -0.04 0.00 7.27 -1.26 -4.41 117.38 114.51 1t3v n GLN 49 Ca 0.05 -0.28 -0.02 0.00 0.07 0.00 0.00 57.00 56.82 1t3v n GLN 49 Cb 0.07 -0.03 -0.01 0.00 2.41 0.00 0.00 30.24 32.68 1t3v n GLN 49 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1t3v h ASP 50 N 0.02 0.00 -0.01 1.69 3.58 -1.90 -3.41 116.42 116.38 1t3v h ASP 50 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1t3v h ASP 50 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1t3v h ASP 50 CO -0.02 0.42 -0.10 1.57 -2.88 0.00 0.00 179.24 178.22 1t3v n HIS 51 N -3.58 0.00 -3.78 0.28 -0.00 -1.26 -5.04 115.22 101.83 1t3v n HIS 51 Ca -0.04 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.94 1t3v n HIS 51 Cb 0.14 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1t3v n HIS 51 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1t3v n VAL 52 N 0.35 -1.02 0.12 3.57 0.24 -1.26 -4.71 118.33 115.63 1t3v n VAL 52 Ca 0.07 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1t3v n VAL 52 Cb 0.30 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 1t3v n VAL 52 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1t3v n HIS 53 N -2.75 -2.10 -1.04 6.34 8.25 -1.26 -5.16 115.22 117.50 1t3v n HIS 53 Ca -0.07 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1t3v n HIS 53 Cb 0.26 0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 1.62 2.74 4.93 -1.41 0.00 -1.26 -5.03 105.19 106.79 1t3v n GLY 54 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.00 0.00 -0.27 4.61 0.00 -1.26 -4.70 120.51 115.89 1t3v n ALA 55 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1t3v n ALA 55 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 0.24 0.00 0.00 2.07 -1.96 0.94 116.25 117.55 1t3v h VAL 56 Ca 0.00 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1t3v h VAL 56 Cb 0.00 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1t3v h VAL 56 CO 0.00 0.00 -0.32 1.55 0.02 0.00 0.00 177.57 178.83 1t3v h PRO 57 N 0.03 0.00 0.00 1.57 0.13 -1.98 -2.98 132.00 128.77 1t3v h PRO 57 Ca 0.40 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.42 1t3v h PRO 57 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1t3v h PRO 57 CO -0.77 0.32 -0.49 -0.97 -0.23 0.00 0.00 178.00 175.85 1t3v h ASN 58 N 0.00 0.00 0.00 1.44 -1.24 -1.21 0.33 115.58 114.91 1t3v h ASN 58 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1t3v h ASN 58 Cb 0.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1t3v h ASN 58 CO 0.04 0.49 0.00 0.33 -1.29 0.00 0.00 177.43 177.01 1t3v n PHE 59 N -3.76 0.00 0.31 0.67 7.35 -0.88 -3.68 117.46 117.46 1t3v n PHE 59 Ca -0.01 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.87 1t3v n PHE 59 Cb 0.54 -0.45 0.99 0.00 0.35 0.00 0.00 39.48 40.91 1t3v n PHE 59 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1t3v h VAL 60 N 0.00 0.21 0.00 -2.13 -1.51 -1.36 0.19 116.25 111.65 1t3v h VAL 60 Ca 0.00 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 1t3v h VAL 60 Cb 0.00 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1t3v h VAL 60 CO 0.00 0.02 -0.09 0.11 -1.23 0.00 0.00 177.57 176.39 1t3v h LYS 61 N 0.00 0.00 0.00 5.19 1.57 -1.06 -1.96 116.57 120.31 1t3v h LYS 61 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1t3v h LYS 61 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1t3v h LYS 61 CO 0.00 0.09 -0.50 1.05 -0.57 0.00 0.00 179.45 179.52 1t3v h GLU 62 N 0.00 0.00 -1.61 3.15 -0.00 -0.68 -3.38 114.58 112.05 1t3v h GLU 62 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.17 1t3v h GLU 62 Cb 0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.04 1t3v h GLU 62 CO 0.01 0.50 0.24 1.63 -0.00 0.00 0.00 179.01 181.39 1t3v n LYS 63 N -3.42 1.47 -1.27 1.06 4.76 -0.74 -4.79 118.16 115.24 1t3v n LYS 63 Ca 0.01 -0.93 -0.09 0.00 -2.87 0.00 0.00 58.31 54.42 1t3v n LYS 63 Cb 0.64 -1.37 -0.04 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.70 0.89 3.68 0.72 0.00 -1.26 -4.92 105.19 105.01 1t3v n GLY 64 Ca 0.18 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.83 1.12 0.00 4.61 0.00 -1.26 -4.63 121.76 119.77 1t3v s ALA 65 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1t3v s ALA 65 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1t3v s ALA 65 CO 0.00 -2.70 0.00 0.39 0.00 0.00 0.00 175.76 173.45 1t3v n GLU 66 N -4.10 4.23 -3.97 0.00 1.02 -1.06 -4.82 120.64 111.95 1t3v n GLU 66 Ca 0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1t3v n GLU 66 Cb 0.56 -0.43 -0.10 0.00 -0.02 0.00 0.00 31.44 31.45 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 -0.19 2.00 -0.17 -4.62 1.98 -0.02 -1.62 118.68 116.05 1t3v s LEU 67 Ca 0.00 -0.61 -0.14 0.00 -2.89 0.00 0.00 54.13 50.48 1t3v s LEU 67 Cb 0.00 0.45 0.05 0.00 0.66 0.00 0.00 46.19 47.34 1t3v s LEU 67 CO 0.00 -0.49 0.44 -0.69 -1.89 0.00 0.00 176.35 173.71 1t3v s VAL 68 N -2.67 -0.00 -0.21 1.68 1.01 -0.56 -1.48 120.40 118.17 1t3v s VAL 68 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1t3v s VAL 68 Cb -0.01 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.81 1t3v s VAL 68 CO -0.05 0.00 -0.01 -0.63 0.00 0.00 0.00 175.10 174.41 1t3v s ILE 69 N 0.40 1.03 0.10 2.22 1.01 0.26 -0.84 121.20 125.38 1t3v s ILE 69 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1t3v s ILE 69 Cb -0.04 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1t3v s ILE 69 CO -0.01 -0.12 -0.09 0.68 0.00 0.00 0.00 174.94 175.39 1t3v s VAL 70 N 1.63 0.90 -0.25 2.92 -7.23 -0.40 -4.33 120.40 113.64 1t3v s VAL 70 Ca -0.03 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 1t3v s VAL 70 Cb -0.18 -1.40 -0.11 0.00 0.56 0.00 0.00 36.38 35.26 1t3v s VAL 70 CO -0.07 -0.61 -0.32 -1.14 -0.31 0.00 0.00 175.10 172.65 1t3v n ARG 71 N 0.47 0.57 -0.05 4.82 0.63 -1.25 -0.92 116.66 120.93 1t3v n ARG 71 Ca -0.15 0.27 -0.10 0.00 -0.92 0.00 0.00 57.85 56.94 1t3v n ARG 71 Cb 0.58 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.96 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 1.31 -0.16 7.00 5.14 0.00 0.78 -3.13 105.19 116.14 1t3v n GLY 72 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.38 0.00 -3.65 -0.61 3.06 -1.15 -4.98 119.36 108.64 1t3v n ILE 73 Ca -0.19 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.04 1t3v n ILE 73 Cb 0.64 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.80 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 -0.16 -0.14 0.34 4.50 0.00 -1.26 -4.74 107.32 105.86 1t3v s GLY 74 Ca 0.00 2.11 0.14 0.00 0.00 0.00 0.00 44.72 46.97 1t3v s GLY 74 CO 0.00 0.73 1.67 -0.09 0.00 0.00 0.00 173.10 175.41 1t3v h ARG 75 N 2.00 0.33 -0.48 2.90 9.65 -2.00 -0.74 114.38 126.05 1t3v h ARG 75 Ca -0.02 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1t3v h ARG 75 Cb 1.13 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.61 1t3v h ARG 75 CO 0.19 0.22 0.32 -0.09 2.80 0.00 0.00 179.97 183.41 1t3v h ARG 76 N 0.34 0.50 0.03 0.20 2.43 -1.98 -2.16 114.38 113.75 1t3v h ARG 76 Ca 0.73 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 59.60 1t3v h ARG 76 Cb 1.64 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.05 1t3v h ARG 76 CO -0.60 0.33 -1.47 0.00 -1.51 0.00 0.00 179.97 176.73 1t3v h ALA 77 N 1.73 0.53 -0.31 2.80 0.00 -1.55 -3.19 119.26 119.26 1t3v h ALA 77 Ca 0.19 -1.22 0.07 0.00 0.00 0.00 0.00 54.91 53.95 1t3v h ALA 77 Cb 0.13 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1t3v h ALA 77 CO -0.05 1.38 -0.17 0.82 0.00 0.00 0.00 179.25 181.23 1t3v h ILE 78 N 0.02 0.49 0.00 0.00 5.03 -1.47 -1.81 117.51 119.77 1t3v h ILE 78 Ca -0.20 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1t3v h ILE 78 Cb 1.94 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 1t3v h ILE 78 CO 0.11 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.58 1t3v n ALA 79 N -2.75 1.87 -0.09 1.87 0.00 -0.84 -1.20 120.51 119.38 1t3v n ALA 79 Ca 0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 1t3v n ALA 79 Cb 0.26 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 2.57 0.14 -0.70 0.00 0.00 -1.36 -3.36 119.26 116.55 1t3v h ALA 80 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1t3v h ALA 80 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1t3v h ALA 80 CO 0.00 0.42 0.41 0.74 0.00 0.00 0.00 179.25 180.82 1t3v h PHE 81 N -1.00 0.92 0.00 0.00 0.04 -1.18 -0.42 116.94 115.30 1t3v h PHE 81 Ca -0.18 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1t3v h PHE 81 Cb 1.02 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1t3v h PHE 81 CO 0.10 0.62 0.00 0.93 -0.60 0.00 0.00 178.31 179.37 1t3v h GLU 82 N 0.96 0.00 0.00 1.51 5.08 -1.37 0.17 114.58 120.93 1t3v h GLU 82 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1t3v h GLU 82 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1t3v h GLU 82 CO -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 1t3v h ALA 83 N 2.06 1.00 0.00 3.43 0.00 -1.21 -3.28 119.26 121.27 1t3v h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t3v h ALA 83 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1t3v h ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1t3v n MET 84 N -2.43 0.53 -3.93 0.00 -0.00 -0.12 -5.00 117.12 106.18 1t3v n MET 84 Ca 0.03 -0.61 -0.30 0.00 -0.00 0.00 0.00 57.70 56.82 1t3v n MET 84 Cb 0.31 -0.70 0.02 0.00 -0.00 0.00 0.00 33.22 32.85 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 -0.12 -0.46 3.66 3.17 0.00 0.36 -4.93 105.19 106.88 1t3v n GLY 85 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.37 4.59 0.27 1.61 1.01 0.09 -4.96 120.40 119.64 1t3v s VAL 86 Ca 0.57 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 64.17 1t3v s VAL 86 Cb -0.29 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 1t3v s VAL 86 CO 0.84 -0.20 1.37 -0.75 0.00 0.00 0.00 175.10 176.37 1t3v s LYS 87 N 3.30 4.31 -0.21 2.72 2.20 -0.64 -4.58 119.74 126.85 1t3v s LYS 87 Ca 0.46 2.24 -0.01 0.00 -0.36 0.00 0.00 55.97 58.30 1t3v s LYS 87 Cb -0.16 -3.11 0.06 0.00 -1.51 0.00 0.00 37.83 33.11 1t3v s LYS 87 CO 0.09 -0.31 -0.00 0.54 -0.36 0.00 0.00 175.35 175.30 1t3v s VAL 88 N -0.40 0.94 -0.32 4.02 0.11 -1.26 -1.50 120.40 121.99 1t3v s VAL 88 Ca 0.55 -0.81 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 1t3v s VAL 88 Cb -0.40 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.10 1t3v s VAL 88 CO 0.46 -0.14 0.50 -0.63 -3.33 0.00 0.00 175.10 171.95 1t3v s ILE 89 N 1.67 5.04 -0.07 7.04 1.01 -0.02 -4.75 121.20 131.12 1t3v s ILE 89 Ca -0.03 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1t3v s ILE 89 Cb -0.18 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1t3v s ILE 89 CO -0.07 -0.12 -0.19 -0.54 0.00 0.00 0.00 174.94 174.02 1t3v s LYS 90 N 2.34 2.75 0.00 2.79 1.02 -1.25 -1.27 119.74 126.12 1t3v s LYS 90 Ca 0.19 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1t3v s LYS 90 Cb -0.16 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1t3v s LYS 90 CO 0.12 0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 1t3v n GLY 91 N 2.93 1.09 3.07 -3.33 0.00 -0.10 -4.79 105.19 104.06 1t3v n GLY 91 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1t3v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 92 N -0.10 -1.62 -3.52 4.61 0.00 -1.14 -4.90 120.51 113.85 1t3v n ALA 92 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 53.44 51.93 1t3v n ALA 92 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 1t3v n ALA 92 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1t3v s SER 93 N -4.71 -0.48 0.00 0.00 1.04 -1.26 -4.50 113.70 103.80 1t3v s SER 93 Ca 0.60 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1t3v s SER 93 Cb -0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1t3v s SER 93 CO 0.43 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1t3v n GLY 94 N 0.40 0.32 3.92 7.32 0.00 -1.26 -4.61 105.19 111.27 1t3v n GLY 94 Ca -0.13 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.66 2.40 0.09 2.61 -4.23 -1.26 -1.10 115.64 112.49 1t3v s THR 95 Ca 0.00 -1.30 -0.33 0.00 -1.18 0.00 0.00 61.69 58.88 1t3v s THR 95 Cb 0.00 -2.70 -0.15 0.00 1.34 0.00 0.00 72.50 70.99 1t3v s THR 95 CO 0.00 0.00 1.59 0.58 -0.54 0.00 0.00 174.62 176.25 1t3v h VAL 96 N 0.82 0.18 -0.46 2.29 2.07 -1.06 -0.97 116.25 119.11 1t3v h VAL 96 Ca -0.39 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1t3v h VAL 96 Cb 1.28 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1t3v h VAL 96 CO 0.54 0.00 0.22 1.05 0.02 0.00 0.00 177.57 179.40 1t3v h GLU 97 N -0.86 0.65 0.10 1.57 4.11 -1.80 -1.16 114.58 117.19 1t3v h GLU 97 Ca -0.04 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 1t3v h GLU 97 Cb 0.75 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1t3v h GLU 97 CO -0.04 0.51 -0.05 1.49 0.07 0.00 0.00 179.01 180.99 1t3v h GLU 98 N 0.65 -0.13 0.00 1.06 4.81 -1.81 -0.85 114.58 118.32 1t3v h GLU 98 Ca 0.16 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1t3v h GLU 98 Cb 0.08 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1t3v h GLU 98 CO -0.02 0.26 -0.16 0.28 -0.73 0.00 0.00 179.01 178.64 1t3v h VAL 99 N -0.55 1.06 0.08 0.32 2.07 -0.86 0.22 116.25 118.59 1t3v h VAL 99 Ca -0.01 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1t3v h VAL 99 Cb 0.45 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1t3v h VAL 99 CO 0.02 0.15 -0.04 0.58 0.02 0.00 0.00 177.57 178.31 1t3v h VAL 100 N 0.00 1.17 -0.75 2.57 2.07 -1.12 -3.00 116.25 117.20 1t3v h VAL 100 Ca -0.00 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1t3v h VAL 100 Cb 0.29 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1t3v h VAL 100 CO 0.02 0.23 0.42 0.78 0.02 0.00 0.00 177.57 179.05 1t3v h ASN 101 N -0.54 0.62 -0.03 0.57 2.35 -0.20 -0.27 115.58 118.08 1t3v h ASN 101 Ca -0.01 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1t3v h ASN 101 Cb 0.46 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1t3v h ASN 101 CO 0.02 0.39 -0.09 1.56 -1.65 0.00 0.00 177.43 177.65 1t3v h GLN 102 N 0.76 -0.14 -0.08 0.81 4.20 -0.59 -0.45 115.11 119.62 1t3v h GLN 102 Ca 0.34 0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.91 1t3v h GLN 102 Cb 0.24 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1t3v h GLN 102 CO -0.21 -0.09 -0.53 -0.92 -0.67 0.00 0.00 178.83 176.42 1t3v h TYR 103 N -0.14 0.69 -0.30 2.96 3.20 -1.36 -0.20 116.97 121.81 1t3v h TYR 103 Ca 0.05 -0.32 0.04 0.00 3.14 0.00 0.00 58.73 61.65 1t3v h TYR 103 Cb 0.21 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1t3v h TYR 103 CO -0.17 1.10 0.21 -0.07 -1.64 0.00 0.00 178.16 177.58 1t3v h LEU 104 N 0.08 0.19 -0.07 2.82 3.38 -0.96 0.59 115.31 121.34 1t3v h LEU 104 Ca -0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1t3v h LEU 104 Cb 1.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1t3v h LEU 104 CO 0.11 0.13 0.00 -1.20 0.09 0.00 0.00 178.44 177.57 1t3v n SER 105 N -4.48 0.44 0.00 -0.43 7.64 -0.19 -4.93 113.62 111.67 1t3v n SER 105 Ca 0.03 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1t3v n SER 105 Cb 0.22 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 1.15 0.75 0.23 0.23 0.00 0.20 -4.97 105.19 102.78 1t3v n GLY 106 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 3.20 0.66 -7.36 1.61 1.08 -1.24 -3.46 115.11 109.59 1t3v h GLN 107 Ca 0.00 -0.38 -0.48 0.00 -1.45 0.00 0.00 58.65 56.34 1t3v h GLN 107 Cb 0.00 0.03 0.07 0.00 -0.05 0.00 0.00 27.48 27.53 1t3v h GLN 107 CO 0.00 0.99 0.32 -0.51 -0.95 0.00 0.00 178.83 178.68 1t3v s LEU 108 N -8.53 2.95 0.37 1.46 1.43 -1.22 -4.99 118.68 110.16 1t3v s LEU 108 Ca -0.08 0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 1t3v s LEU 108 Cb 0.11 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.73 1t3v s LEU 108 CO 0.85 -1.34 0.68 -0.75 0.23 0.00 0.00 176.35 176.02 1t3v s LYS 109 N -5.25 2.12 -0.20 1.70 2.47 -1.26 -4.94 119.74 114.37 1t3v s LYS 109 Ca 0.57 -1.53 0.21 0.00 -1.56 0.00 0.00 55.97 53.66 1t3v s LYS 109 Cb -0.11 0.57 0.48 0.00 -1.46 0.00 0.00 37.83 37.31 1t3v s LYS 109 CO 0.49 -0.96 1.14 -0.40 0.16 0.00 0.00 175.35 175.78 1t3v n ASP 110 N -1.38 1.91 0.00 1.43 5.75 -1.26 -3.78 116.55 119.21 1t3v n ASP 110 Ca -0.05 -2.37 0.15 0.00 -0.01 0.00 0.00 54.79 52.51 1t3v n ASP 110 Cb 0.60 -0.42 0.75 0.00 -1.03 0.00 0.00 41.12 41.02 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1t3v n SER 111 N -0.39 0.00 -4.21 -1.12 7.64 -1.26 -4.45 113.62 109.83 1t3v n SER 111 Ca 0.13 -0.09 -0.40 0.00 1.01 0.00 0.00 58.87 59.52 1t3v n SER 111 Cb 0.90 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1t3v n SER 111 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1t3v s ASP 112 N -2.61 6.37 0.41 6.43 1.01 -1.26 -5.03 116.67 121.99 1t3v s ASP 112 Ca 0.27 -3.38 0.07 0.00 0.71 0.00 0.00 52.55 50.22 1t3v s ASP 112 Cb 0.20 -2.03 -0.06 0.00 1.01 0.00 0.00 42.92 42.04 1t3v s ASP 112 CO 0.47 -0.31 0.12 -0.47 0.21 0.00 0.00 175.17 175.19 1t3v s TYR 113 N -0.87 2.56 -0.27 4.23 6.14 -1.26 -4.87 117.35 123.00 1t3v s TYR 113 Ca 0.25 -0.62 -0.04 0.00 0.64 0.00 0.00 57.07 57.30 1t3v s TYR 113 Cb -0.11 -1.89 0.15 0.00 0.42 0.00 0.00 41.96 40.53 1t3v s TYR 113 CO -0.09 0.27 0.54 -1.83 0.64 0.00 0.00 175.55 175.08 1t3v s GLU 114 N -3.84 0.49 1.05 4.97 -1.05 -1.26 -5.18 118.70 113.89 1t3v s GLU 114 Ca 0.39 1.01 -0.17 0.00 -0.15 0.00 0.00 54.97 56.05 1t3v s GLU 114 Cb 0.06 0.38 0.23 0.00 -0.44 0.00 0.00 34.13 34.36 1t3v s GLU 114 CO 0.21 -0.48 1.22 0.14 0.95 0.00 0.00 175.26 177.30 1t3v s VAL 115 N 2.77 1.84 -0.63 1.83 -7.23 -1.26 -4.74 120.40 112.97 1t3v s VAL 115 Ca 0.10 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.23 1t3v s VAL 115 Cb -0.14 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1t3v s VAL 115 CO -0.18 0.00 0.65 1.41 -0.31 0.00 0.00 175.10 176.66 1t3v n HIS 116 N -4.17 -2.99 -2.30 2.82 8.25 -1.26 -4.92 115.22 110.65 1t3v n HIS 116 Ca 0.14 1.16 -0.34 0.00 -0.26 0.00 0.00 57.72 58.41 1t3v n HIS 116 Cb 0.59 -4.01 -0.04 0.00 1.12 0.00 0.00 29.99 27.66 1t3v n HIS 116 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1t3v s ASP 117 N -2.85 5.83 0.51 0.41 -4.77 -1.26 -4.89 116.67 109.65 1t3v s ASP 117 Ca 0.06 -1.63 0.30 0.00 -3.30 0.00 0.00 52.55 47.99 1t3v s ASP 117 Cb -0.02 -2.58 1.63 0.00 -1.09 0.00 0.00 42.92 40.87 1t3v s ASP 117 CO 0.72 -2.18 1.90 1.12 0.70 0.00 0.00 175.17 177.44 1t3v h HIS 118 N 9.49 0.00 -1.50 2.11 2.07 -1.96 -3.46 115.15 121.89 1t3v h HIS 118 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 1t3v h HIS 118 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1t3v h HIS 118 CO 1.29 0.00 -0.09 1.58 -3.07 0.00 0.00 177.93 177.64 1t3v n HIS 119 N -2.64 0.00 -4.25 6.12 -0.00 -1.26 -5.01 115.22 108.18 1t3v n HIS 119 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.54 1t3v n HIS 119 Cb 0.16 -0.17 -0.10 0.00 -0.00 0.00 0.00 29.99 29.88 1t3v n HIS 119 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1t3v s HIS 120 N -0.09 1.34 0.00 1.57 2.46 -1.26 -5.08 115.29 114.23 1t3v s HIS 120 Ca 0.00 -0.65 0.00 0.00 0.47 0.00 0.00 55.06 54.88 1t3v s HIS 120 Cb 0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 32.58 31.77 1t3v s HIS 120 CO 0.00 0.13 0.00 0.72 -2.47 0.00 0.00 174.74 173.12 1t3v n HIS 121 N 0.14 -0.27 -1.47 3.88 8.25 -1.26 -4.98 115.22 119.52 1t3v n HIS 121 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1t3v n HIS 121 Cb 0.59 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 0.00 -0.37 -2.37 -0.41 4.71 -1.26 -5.02 120.64 115.92 1t3v n GLU 122 Ca 0.00 0.45 -0.24 0.00 -0.01 0.00 0.00 57.16 57.36 1t3v n GLU 122 Cb 0.00 -0.38 0.13 0.00 -1.01 0.00 0.00 31.44 30.18 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1t3v n HIS 123 N 1.32 -3.17 1.90 -0.32 -0.00 -1.26 -5.10 115.22 108.59 1t3v n HIS 123 Ca 0.00 -1.59 0.16 0.00 0.46 0.00 0.00 57.72 56.75 1t3v n HIS 123 Cb 0.09 -0.77 0.87 0.00 -0.12 0.00 0.00 29.99 30.06 1t3v n HIS 123 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41