#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 0.08 -0.28 1.12 1.01 -1.26 -3.06 121.20 118.81 1t3v s ILE 2 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1t3v s ILE 2 Cb 0.00 -0.19 0.09 0.00 0.01 0.00 0.00 42.46 42.36 1t3v s ILE 2 CO 0.00 -0.35 0.07 -0.63 0.00 0.00 0.00 174.94 174.03 1t3v s ILE 3 N -1.03 0.79 0.51 2.92 1.01 0.80 -0.93 121.20 125.27 1t3v s ILE 3 Ca -0.11 -1.15 -0.16 0.00 0.00 0.00 0.00 60.65 59.22 1t3v s ILE 3 Cb -0.07 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.83 1t3v s ILE 3 CO -0.01 -0.53 0.98 0.00 0.00 0.00 0.00 174.94 175.39 1t3v s ALA 4 N 1.68 3.07 -0.16 9.38 0.00 -0.40 -0.77 121.76 134.57 1t3v s ALA 4 Ca 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1t3v s ALA 4 Cb -0.17 -3.11 0.08 0.00 0.00 0.00 0.00 23.12 19.91 1t3v s ALA 4 CO -0.20 -0.23 0.24 0.42 0.00 0.00 0.00 175.76 175.99 1t3v s ILE 5 N -2.62 -0.38 -0.03 0.00 1.01 0.47 -0.42 121.20 119.24 1t3v s ILE 5 Ca 0.59 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.07 1t3v s ILE 5 Cb -0.10 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1t3v s ILE 5 CO 0.31 -0.01 1.45 -2.16 0.00 0.00 0.00 174.94 174.53 1t3v s PRO 6 N 2.38 4.25 0.25 2.79 0.04 -1.26 -1.00 135.00 142.45 1t3v s PRO 6 Ca 0.04 1.99 0.12 0.00 0.04 0.00 0.00 61.00 63.19 1t3v s PRO 6 Cb -0.14 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 1t3v s PRO 6 CO -0.10 -0.66 -0.21 0.14 0.04 0.00 0.00 177.00 176.21 1t3v s VAL 7 N 2.90 2.46 0.03 -0.36 -7.23 -0.89 -0.38 120.40 116.93 1t3v s VAL 7 Ca 0.65 -2.26 0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1t3v s VAL 7 Cb -0.31 -2.25 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 1t3v s VAL 7 CO 0.26 -0.30 1.40 0.28 -0.31 0.00 0.00 175.10 176.43 1t3v h SER 8 N 2.59 0.00 -4.87 4.85 0.02 -1.53 -3.08 113.55 111.53 1t3v h SER 8 Ca -0.42 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.40 1t3v h SER 8 Cb 1.24 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.57 1t3v h SER 8 CO 0.56 0.74 -0.31 -1.61 -1.14 0.00 0.00 176.83 175.06 1t3v s GLU 9 N -2.94 0.61 -0.10 3.45 0.41 -1.26 -4.76 118.70 114.11 1t3v s GLU 9 Ca 0.02 -0.16 -0.03 0.00 -0.41 0.00 0.00 54.97 54.39 1t3v s GLU 9 Cb 0.09 0.27 -0.07 0.00 -1.78 0.00 0.00 34.13 32.64 1t3v s GLU 9 CO 0.78 -0.16 2.76 0.27 -0.49 0.00 0.00 175.26 178.42 1t3v n ASN 10 N 1.47 5.60 -1.85 -0.19 6.94 -1.26 -4.40 115.26 121.56 1t3v n ASN 10 Ca -0.21 -2.63 -0.15 0.00 -0.02 0.00 0.00 54.58 51.57 1t3v n ASN 10 Cb 0.56 -1.25 0.04 0.00 -2.36 0.00 0.00 39.78 36.77 1t3v n ASN 10 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1t3v n ARG 11 N 1.66 1.74 0.00 -3.83 1.74 -1.26 -4.94 116.66 111.77 1t3v n ARG 11 Ca 0.28 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 1t3v n ARG 11 Cb 0.68 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.42 3.04 0.24 -0.13 0.00 -1.26 -0.89 105.19 106.61 1t3v n GLY 12 Ca 0.28 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.41 1t3v n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t3v h LYS 13 N 0.00 0.35 0.00 1.61 1.57 -1.98 -2.72 116.57 115.39 1t3v h LYS 13 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1t3v h LYS 13 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1t3v h LYS 13 CO 0.00 0.23 0.00 -0.25 -0.57 0.00 0.00 179.45 178.86 1t3v n ASP 14 N -5.05 0.00 -4.39 0.86 8.00 -0.06 -1.62 116.55 114.28 1t3v n ASP 14 Ca 0.10 0.16 -0.53 0.00 0.71 0.00 0.00 54.79 55.23 1t3v n ASP 14 Cb 0.33 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.37 1.66 -4.72 -2.24 7.64 -0.97 -4.72 113.62 108.90 1t3v n SER 15 Ca 0.09 0.46 -0.42 0.00 1.01 0.00 0.00 58.87 60.01 1t3v n SER 15 Cb 0.22 -1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 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 6.31 4.48 0.42 1.43 0.04 -1.26 -1.22 135.00 145.20 1t3v s PRO 16 Ca 1.13 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 63.68 1t3v s PRO 16 Cb -1.05 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 30.07 1t3v s PRO 16 CO 0.53 -0.16 1.22 1.51 0.04 0.00 0.00 177.00 180.14 1t3v n ILE 17 N 3.42 2.58 -2.47 0.56 3.06 -0.42 -1.58 119.36 124.51 1t3v n ILE 17 Ca 0.07 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.58 1t3v n ILE 17 Cb 0.46 -1.48 0.08 0.00 0.54 0.00 0.00 39.64 39.25 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 -0.59 4.64 -0.16 9.51 0.15 0.49 -4.54 113.70 123.19 1t3v s SER 18 Ca 0.62 -0.03 -0.22 0.00 0.70 0.00 0.00 55.95 57.01 1t3v s SER 18 Cb -0.52 -0.53 -0.23 0.00 -1.71 0.00 0.00 66.02 63.03 1t3v s SER 18 CO 0.57 -1.65 0.45 -0.33 1.20 0.00 0.00 173.24 173.48 1t3v h GLU 19 N -0.44 0.06 -7.12 5.44 3.07 -1.96 -3.39 114.58 110.24 1t3v h GLU 19 Ca -0.40 -0.11 -0.47 0.00 -0.50 0.00 0.00 59.36 57.88 1t3v h GLU 19 Cb 1.28 0.04 0.06 0.00 -0.84 0.00 0.00 28.75 29.29 1t3v h GLU 19 CO 0.48 1.05 0.16 -1.01 -1.40 0.00 0.00 179.01 178.29 1t3v s HIS 20 N -2.36 3.14 0.01 4.33 3.76 -1.26 -0.66 115.29 122.26 1t3v s HIS 20 Ca -0.24 0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 55.20 1t3v s HIS 20 Cb 0.03 -2.83 -0.00 0.00 1.11 0.00 0.00 32.58 30.89 1t3v s HIS 20 CO 0.66 -0.95 -0.01 0.34 -0.85 0.00 0.00 174.74 173.93 1t3v n PHE 21 N -2.62 0.00 0.26 1.40 -0.00 -1.26 -4.22 117.46 111.02 1t3v n PHE 21 Ca 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.67 1t3v n PHE 21 Cb 0.58 -0.03 0.89 0.00 -0.00 0.00 0.00 39.48 40.92 1t3v n PHE 21 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1t3v h GLY 22 N -0.03 0.00 -5.19 7.13 0.00 -1.94 -0.70 103.07 102.34 1t3v h GLY 22 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1t3v h GLY 22 CO -0.01 0.00 -1.10 -0.96 0.00 0.00 0.00 176.54 174.47 1t3v n ARG 23 N -2.67 1.68 -2.16 4.80 -4.01 -1.26 -4.43 116.66 108.61 1t3v n ARG 23 Ca -0.02 -3.43 -0.42 0.00 -1.04 0.00 0.00 57.85 52.94 1t3v n ARG 23 Cb 0.07 -1.53 -0.03 0.00 -3.04 0.00 0.00 32.46 27.93 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 -3.54 3.60 -0.13 2.89 0.00 -0.27 -4.94 121.76 119.36 1t3v s ALA 24 Ca 0.28 1.14 0.30 0.00 0.00 0.00 0.00 51.96 53.68 1t3v s ALA 24 Cb 0.33 -3.54 1.22 0.00 0.00 0.00 0.00 23.12 21.13 1t3v s ALA 24 CO -0.05 -0.62 1.88 -1.00 0.00 0.00 0.00 175.76 175.98 1t3v h PRO 25 N 6.59 0.00 -3.64 0.00 0.13 -1.86 -3.44 132.00 129.78 1t3v h PRO 25 Ca -0.43 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 1t3v h PRO 25 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1t3v h PRO 25 CO 0.85 0.00 -0.39 0.71 -0.23 0.00 0.00 178.00 178.94 1t3v s TYR 26 N -3.53 0.09 -0.23 1.56 2.02 -1.17 -1.64 117.35 114.45 1t3v s TYR 26 Ca 0.02 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1t3v s TYR 26 Cb 0.09 -0.04 0.07 0.00 -0.40 0.00 0.00 41.96 41.68 1t3v s TYR 26 CO 0.48 -0.46 0.06 -0.06 -1.57 0.00 0.00 175.55 174.00 1t3v s PHE 27 N -2.95 1.17 -0.71 2.71 0.08 -0.29 -2.10 117.98 115.89 1t3v s PHE 27 Ca -0.02 -1.11 -0.26 0.00 0.12 0.00 0.00 56.93 55.66 1t3v s PHE 27 Cb 0.01 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1t3v s PHE 27 CO -0.06 -0.71 1.19 0.00 -0.10 0.00 0.00 175.22 175.55 1t3v s ALA 28 N 1.81 2.86 -0.62 5.36 0.00 -0.17 -2.27 121.76 128.73 1t3v s ALA 28 Ca 0.03 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 50.30 1t3v s ALA 28 Cb -0.17 -4.14 0.07 0.00 0.00 0.00 0.00 23.12 18.88 1t3v s ALA 28 CO -0.15 -3.13 0.87 -0.06 0.00 0.00 0.00 175.76 173.30 1t3v s PHE 29 N 5.26 2.79 0.46 0.00 0.08 -0.07 -0.39 117.98 126.11 1t3v s PHE 29 Ca 0.32 -0.60 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 1t3v s PHE 29 Cb -0.10 -4.15 -0.07 0.00 -0.57 0.00 0.00 43.02 38.12 1t3v s PHE 29 CO 0.14 -1.49 0.89 0.08 -0.10 0.00 0.00 175.22 174.74 1t3v s VAL 30 N 3.62 4.64 0.00 -0.44 1.01 0.05 -1.10 120.40 128.18 1t3v s VAL 30 Ca 0.20 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1t3v s VAL 30 Cb -0.18 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1t3v s VAL 30 CO 0.10 -0.61 0.00 0.29 0.00 0.00 0.00 175.10 174.89 1t3v n LYS 31 N -1.43 2.12 -3.73 2.72 5.02 -0.35 -0.14 118.16 122.38 1t3v n LYS 31 Ca 0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.22 1t3v n LYS 31 Cb 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.43 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 1.30 -0.03 -0.90 -0.18 0.11 -1.15 -4.51 120.40 115.04 1t3v s VAL 32 Ca 0.00 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.03 1t3v s VAL 32 Cb 0.00 -0.46 0.23 0.00 -1.53 0.00 0.00 36.38 34.63 1t3v s VAL 32 CO 0.00 0.04 0.84 -0.75 -3.33 0.00 0.00 175.10 171.90 1t3v s LYS 33 N 1.02 3.71 0.00 1.54 2.36 0.86 -4.64 119.74 124.59 1t3v s LYS 33 Ca -0.07 -2.69 0.00 0.00 -2.55 0.00 0.00 55.97 50.66 1t3v s LYS 33 Cb -0.08 -4.42 0.00 0.00 -1.05 0.00 0.00 37.83 32.28 1t3v s LYS 33 CO -0.07 -1.27 0.00 -1.71 1.55 0.00 0.00 175.35 173.84 1t3v n ASN 34 N 3.57 0.00 -0.24 1.43 4.05 -1.26 -0.84 115.26 121.98 1t3v n ASN 34 Ca 0.16 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.20 1t3v n ASN 34 Cb 0.44 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.46 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1t3v n ASN 35 N 2.56 0.27 -4.71 1.20 5.15 -1.26 -5.11 115.26 113.37 1t3v n ASN 35 Ca 0.00 -1.66 -0.30 0.00 -0.60 0.00 0.00 54.58 52.02 1t3v n ASN 35 Cb 0.00 -0.12 -0.09 0.00 -0.53 0.00 0.00 39.78 39.04 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 -0.25 3.74 0.32 5.20 0.00 -0.02 -5.06 121.76 125.69 1t3v s ALA 36 Ca 0.02 -1.23 0.30 0.00 0.00 0.00 0.00 51.96 51.06 1t3v s ALA 36 Cb 0.02 0.04 1.45 0.00 0.00 0.00 0.00 23.12 24.62 1t3v s ALA 36 CO 0.00 -0.08 2.04 0.82 0.00 0.00 0.00 175.76 178.54 1t3v h ILE 37 N 1.49 0.36 0.00 0.00 5.03 -1.84 0.25 117.51 122.80 1t3v h ILE 37 Ca -0.44 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 63.72 1t3v h ILE 37 Cb 1.28 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 36.50 1t3v h ILE 37 CO 0.76 0.10 0.00 0.00 -0.68 0.00 0.00 178.15 178.33 1t3v n ALA 38 N -2.20 0.00 -3.82 1.87 0.00 -1.26 -2.91 120.51 112.19 1t3v n ALA 38 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1t3v n ALA 38 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.23 -0.01 0.00 -1.08 -1.26 -4.92 116.67 109.16 1t3v s ASP 39 Ca 0.00 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.54 1t3v s ASP 39 Cb 0.00 0.64 -0.01 0.00 -1.46 0.00 0.00 42.92 42.09 1t3v s ASP 39 CO 0.00 -1.18 -0.11 -0.63 0.52 0.00 0.00 175.17 173.77 1t3v s ILE 40 N -3.68 0.90 -0.43 4.11 -1.09 -1.26 -1.21 121.20 118.54 1t3v s ILE 40 Ca 0.11 -0.48 0.07 0.00 -2.23 0.00 0.00 60.65 58.12 1t3v s ILE 40 Cb -0.04 -0.76 0.24 0.00 -1.58 0.00 0.00 42.46 40.32 1t3v s ILE 40 CO 0.05 0.26 0.63 -0.24 -1.23 0.00 0.00 174.94 174.41 1t3v n SER 41 N 2.83 -0.91 -4.56 3.58 2.88 -0.26 -4.97 113.62 112.22 1t3v n SER 41 Ca -0.14 -2.87 -0.33 0.00 -1.33 0.00 0.00 58.87 54.20 1t3v n SER 41 Cb 0.56 0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 64.17 1t3v n SER 41 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1t3v s VAL 42 N -0.49 3.67 0.19 2.46 0.11 -1.26 -0.90 120.40 124.19 1t3v s VAL 42 Ca 0.34 -0.64 0.08 0.00 -2.93 0.00 0.00 61.98 58.82 1t3v s VAL 42 Cb 0.18 -4.51 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1t3v s VAL 42 CO -0.16 -1.38 -0.00 -1.61 -3.33 0.00 0.00 175.10 168.62 1t3v s GLU 43 N 6.05 2.37 0.70 1.54 0.41 -0.96 -4.96 118.70 123.86 1t3v s GLU 43 Ca 0.60 -1.17 -0.09 0.00 -0.41 0.00 0.00 54.97 53.90 1t3v s GLU 43 Cb -0.03 -2.32 0.03 0.00 -1.78 0.00 0.00 34.13 30.03 1t3v s GLU 43 CO -0.03 0.44 1.05 -1.21 -0.49 0.00 0.00 175.26 175.02 1t3v s GLU 44 N -3.08 2.62 -0.44 1.61 2.02 -1.26 -1.14 118.70 119.03 1t3v s GLU 44 Ca 0.28 0.18 -0.23 0.00 0.02 0.00 0.00 54.97 55.22 1t3v s GLU 44 Cb -0.09 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 32.07 1t3v s GLU 44 CO 0.19 -1.08 0.80 -0.80 0.02 0.00 0.00 175.26 174.38 1t3v s ASN 45 N -4.41 6.44 0.00 -0.19 0.01 -0.65 -4.64 114.94 111.51 1t3v s ASN 45 Ca 0.58 -0.01 0.16 0.00 -0.71 0.00 0.00 52.86 52.88 1t3v s ASN 45 Cb -0.11 -2.39 0.78 0.00 0.41 0.00 0.00 41.25 39.94 1t3v s ASN 45 CO 0.49 -0.90 1.45 -0.81 -1.51 0.00 0.00 177.10 175.82 1t3v n PRO 46 N 6.72 0.21 -2.39 -0.60 -0.04 -1.26 -2.52 135.00 135.11 1t3v n PRO 46 Ca 0.03 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 1t3v n PRO 46 Cb 0.48 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.30 2.23 -0.09 1.53 7.99 -1.26 -4.93 117.00 121.17 1t3v n LEU 47 Ca 0.07 -3.27 0.01 0.00 -0.01 0.00 0.00 56.01 52.81 1t3v n LEU 47 Cb 0.13 0.20 0.31 0.00 -0.11 0.00 0.00 43.42 43.95 1t3v n LEU 47 CO 0.12 1.20 1.12 0.00 -1.51 0.00 0.00 177.39 178.32 1t3v h ALA 48 N 2.23 1.50 -0.39 -1.18 0.00 -1.80 -3.23 119.26 116.38 1t3v h ALA 48 Ca -0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1t3v h ALA 48 Cb 1.40 -0.21 -0.35 0.00 0.00 0.00 0.00 17.79 18.63 1t3v h ALA 48 CO 0.28 0.41 -0.95 0.00 0.00 0.00 0.00 179.25 178.99 1t3v n GLN 49 N -4.39 1.60 0.10 0.00 10.64 -1.26 -4.55 117.38 119.51 1t3v n GLN 49 Ca 0.04 -3.02 0.00 0.00 -1.83 0.00 0.00 57.00 52.20 1t3v n GLN 49 Cb 0.11 -1.16 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1t3v n ASP 50 N -0.73 0.13 -0.09 2.61 -0.08 -1.22 -4.97 116.55 112.20 1t3v n ASP 50 Ca 0.02 0.34 -0.20 0.00 -1.51 0.00 0.00 54.79 53.44 1t3v n ASP 50 Cb 0.82 0.19 -0.12 0.00 2.34 0.00 0.00 41.12 44.34 1t3v n ASP 50 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1t3v n HIS 51 N -3.35 0.37 0.00 -0.67 8.25 -1.25 -5.00 115.22 113.57 1t3v n HIS 51 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1t3v n HIS 51 Cb 0.02 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.09 1t3v n HIS 51 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1t3v n VAL 52 N -3.44 0.00 -3.24 1.59 0.31 -1.24 -4.57 118.33 107.74 1t3v n VAL 52 Ca -0.43 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.52 1t3v n VAL 52 Cb 0.99 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.86 1t3v n VAL 52 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1t3v s HIS 53 N 0.00 3.49 0.00 3.52 0.00 -1.26 -4.55 115.29 116.49 1t3v s HIS 53 Ca 0.00 0.94 0.00 0.00 -3.00 0.00 0.00 55.06 53.00 1t3v s HIS 53 Cb 0.00 -2.63 0.00 0.00 -4.00 0.00 0.00 32.58 25.95 1t3v s HIS 53 CO 0.00 0.09 0.00 0.41 -1.00 0.00 0.00 174.74 174.24 1t3v n GLY 54 N 3.36 1.69 0.00 -1.38 0.00 -1.26 -4.91 105.19 102.70 1t3v n GLY 54 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.00 -0.13 4.61 0.00 -1.26 -4.72 120.51 119.00 1t3v n ALA 55 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1t3v n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.29 0.00 0.00 2.07 -1.85 -1.05 116.25 115.72 1t3v h VAL 56 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1t3v h VAL 56 Cb 0.00 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1t3v h VAL 56 CO 0.00 0.00 -0.41 1.55 0.02 0.00 0.00 177.57 178.73 1t3v h PRO 57 N -0.18 0.00 -0.59 1.57 0.13 -1.89 -3.07 132.00 127.96 1t3v h PRO 57 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 1t3v h PRO 57 Cb 0.50 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1t3v h PRO 57 CO -0.55 0.41 0.24 -0.97 -0.23 0.00 0.00 178.00 176.91 1t3v h ASN 58 N 0.00 0.81 0.24 1.44 -0.73 -1.50 0.83 115.58 116.67 1t3v h ASN 58 Ca -0.00 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.00 1t3v h ASN 58 Cb 0.81 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1t3v h ASN 58 CO 0.05 0.76 -0.36 0.15 -0.37 0.00 0.00 177.43 177.66 1t3v h PHE 59 N 0.82 -1.03 -0.06 0.67 3.57 -1.29 -2.40 116.94 117.22 1t3v h PHE 59 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1t3v h PHE 59 Cb 0.19 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1t3v h PHE 59 CO 0.01 -0.45 -0.06 -0.39 -2.23 0.00 0.00 178.31 175.19 1t3v h VAL 60 N -0.64 1.08 0.00 1.41 -1.51 -1.52 -0.24 116.25 114.84 1t3v h VAL 60 Ca -0.03 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1t3v h VAL 60 Cb 0.58 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1t3v h VAL 60 CO -0.11 0.11 0.00 0.50 -1.23 0.00 0.00 177.57 176.84 1t3v h LYS 61 N 0.08 0.00 -0.02 5.19 3.11 -0.55 0.18 116.57 124.56 1t3v h LYS 61 Ca 0.02 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.73 1t3v h LYS 61 Cb 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1t3v h LYS 61 CO 0.01 0.00 -0.58 1.05 -2.81 0.00 0.00 179.45 177.12 1t3v h GLU 62 N 0.00 0.08 -1.50 1.90 -0.00 -0.53 -3.37 114.58 111.15 1t3v h GLU 62 Ca 0.00 -0.05 -0.20 0.00 -0.00 0.00 0.00 59.36 59.11 1t3v h GLU 62 Cb 0.22 0.01 -0.09 0.00 -0.00 0.00 0.00 28.75 28.89 1t3v h GLU 62 CO 0.00 0.64 0.26 1.63 -0.00 0.00 0.00 179.01 181.53 1t3v n LYS 63 N -3.86 1.49 -4.03 1.06 4.01 0.61 -4.85 118.16 112.59 1t3v n LYS 63 Ca -0.02 -1.01 -0.33 0.00 -0.51 0.00 0.00 58.31 56.44 1t3v n LYS 63 Cb 0.59 -1.40 -0.07 0.00 -0.51 0.00 0.00 35.03 33.64 1t3v n LYS 63 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1t3v n GLY 64 N 0.54 -0.28 3.55 0.72 0.00 -1.26 -4.92 105.19 103.54 1t3v n GLY 64 Ca 0.20 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.17 0.03 0.00 4.61 0.00 -1.26 -4.75 121.76 117.22 1t3v s ALA 65 Ca 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1t3v s ALA 65 Cb -0.31 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1t3v s ALA 65 CO 0.85 -3.50 0.00 0.39 0.00 0.00 0.00 175.76 173.50 1t3v n GLU 66 N -4.67 2.41 -3.92 0.00 1.02 -1.20 -4.82 120.64 109.46 1t3v n GLU 66 Ca 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1t3v n GLU 66 Cb 0.55 -0.51 -0.10 0.00 -0.02 0.00 0.00 31.44 31.36 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 -0.64 1.88 -0.13 -4.62 2.96 -0.11 -1.94 118.68 116.07 1t3v s LEU 67 Ca 0.00 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1t3v s LEU 67 Cb 0.00 0.41 0.06 0.00 0.50 0.00 0.00 46.19 47.16 1t3v s LEU 67 CO 0.00 -0.35 0.29 -0.69 -1.32 0.00 0.00 176.35 174.28 1t3v s VAL 68 N -1.48 -0.31 -0.30 1.68 1.01 -0.89 -1.28 120.40 118.84 1t3v s VAL 68 Ca -0.15 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1t3v s VAL 68 Cb -0.08 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1t3v s VAL 68 CO 0.00 0.09 0.04 -0.63 0.00 0.00 0.00 175.10 174.60 1t3v s ILE 69 N 2.05 3.47 0.31 2.22 1.01 0.44 -0.97 121.20 129.73 1t3v s ILE 69 Ca -0.03 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1t3v s ILE 69 Cb -0.11 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1t3v s ILE 69 CO -0.09 -0.00 0.10 1.33 0.00 0.00 0.00 174.94 176.28 1t3v n VAL 70 N 4.76 0.00 0.00 2.92 0.24 0.17 -4.25 118.33 122.16 1t3v n VAL 70 Ca -0.14 -1.77 0.00 0.00 -2.04 0.00 0.00 64.34 60.38 1t3v n VAL 70 Cb 0.46 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1t3v n VAL 70 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1t3v n ARG 71 N -0.71 0.00 -0.07 7.34 1.74 -1.26 -2.05 116.66 121.66 1t3v n ARG 71 Ca -0.05 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 1t3v n ARG 71 Cb 0.46 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.81 1t3v n ARG 71 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1t3v h GLY 72 N 0.00 0.00 0.00 -0.13 0.00 -1.18 -3.23 103.07 98.53 1t3v h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t3v h GLY 72 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 176.54 181.05 1t3v n ILE 73 N -4.66 0.00 -3.54 2.60 3.06 -1.12 -4.98 119.36 110.72 1t3v n ILE 73 Ca -0.08 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.09 1t3v n ILE 73 Cb 0.33 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.48 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 -0.48 -0.38 0.31 4.50 0.00 -1.26 -4.82 107.32 105.20 1t3v s GLY 74 Ca 0.00 1.43 0.03 0.00 0.00 0.00 0.00 44.72 46.18 1t3v s GLY 74 CO 0.00 0.60 1.89 -0.09 0.00 0.00 0.00 173.10 175.50 1t3v h ARG 75 N 2.20 0.90 -0.09 2.90 9.65 -1.99 0.11 114.38 128.06 1t3v h ARG 75 Ca -0.19 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.66 1t3v h ARG 75 Cb 1.20 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1t3v h ARG 75 CO 0.30 0.60 0.23 0.07 2.80 0.00 0.00 179.97 183.97 1t3v h ARG 76 N 0.93 0.00 0.00 0.20 0.11 -2.00 -0.26 114.38 113.36 1t3v h ARG 76 Ca 0.42 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.15 1t3v h ARG 76 Cb 0.37 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.38 1t3v h ARG 76 CO -0.18 0.00 -2.36 0.00 0.10 0.00 0.00 179.97 177.53 1t3v n ALA 77 N -2.09 1.57 -0.15 0.08 0.00 0.32 -4.14 120.51 116.10 1t3v n ALA 77 Ca -0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 53.44 52.12 1t3v n ALA 77 Cb 0.32 -0.21 0.06 0.00 0.00 0.00 0.00 19.45 19.62 1t3v n ALA 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t3v h ILE 78 N 0.00 0.66 -0.28 0.00 1.08 -0.75 -2.67 117.51 115.55 1t3v h ILE 78 Ca -0.52 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 63.98 1t3v h ILE 78 Cb 2.18 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1t3v h ILE 78 CO 0.03 0.03 0.26 0.00 -0.69 0.00 0.00 178.15 177.78 1t3v h ALA 79 N 1.41 2.03 0.03 1.87 0.00 -1.24 -0.17 119.26 123.19 1t3v h ALA 79 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1t3v h ALA 79 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1t3v h ALA 79 CO -0.37 -0.41 -0.02 0.00 0.00 0.00 0.00 179.25 178.46 1t3v h ALA 80 N 1.74 -0.04 -0.68 0.00 0.00 -1.64 -3.05 119.26 115.59 1t3v h ALA 80 Ca 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1t3v h ALA 80 Cb 0.66 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1t3v h ALA 80 CO -0.00 -0.18 0.45 0.74 0.00 0.00 0.00 179.25 180.26 1t3v h PHE 81 N -0.74 0.83 0.00 0.00 0.04 -1.41 -0.04 116.94 115.63 1t3v h PHE 81 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1t3v h PHE 81 Cb 0.66 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1t3v h PHE 81 CO 0.15 0.51 0.00 0.93 -0.60 0.00 0.00 178.31 179.31 1t3v h GLU 82 N 0.89 0.00 0.00 1.51 5.08 -1.11 0.66 114.58 121.61 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 -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1t3v h GLU 82 CO -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 179.01 177.69 1t3v n ALA 83 N -1.91 2.63 -0.52 3.43 0.00 -0.03 -3.99 120.51 120.12 1t3v n ALA 83 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1t3v n ALA 83 Cb 0.08 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.22 1t3v n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v n MET 84 N -2.02 1.88 -1.24 0.00 -0.00 -0.52 -4.99 117.12 110.22 1t3v n MET 84 Ca 0.05 -1.42 -0.08 0.00 -0.00 0.00 0.00 57.70 56.24 1t3v n MET 84 Cb 0.41 -0.94 -0.04 0.00 -0.00 0.00 0.00 33.22 32.66 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 -0.51 0.88 3.62 3.17 0.00 -0.69 -4.93 105.19 106.73 1t3v n GLY 85 Ca 0.03 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.92 4.31 0.51 1.61 1.01 0.11 -4.97 120.40 121.07 1t3v s VAL 86 Ca 0.00 1.44 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 1t3v s VAL 86 Cb 0.00 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 1t3v s VAL 86 CO 0.00 -0.71 1.19 -0.75 0.00 0.00 0.00 175.10 174.83 1t3v s LYS 87 N 4.11 3.47 -0.22 2.72 2.20 -0.82 -4.29 119.74 126.90 1t3v s LYS 87 Ca 0.49 1.81 -0.01 0.00 -0.36 0.00 0.00 55.97 57.89 1t3v s LYS 87 Cb -0.11 -2.23 0.07 0.00 -1.51 0.00 0.00 37.83 34.05 1t3v s LYS 87 CO 0.24 -0.80 0.02 0.08 -0.36 0.00 0.00 175.35 174.53 1t3v s VAL 88 N -1.57 0.90 -0.05 4.02 1.01 -1.26 -2.09 120.40 121.37 1t3v s VAL 88 Ca 0.69 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 1t3v s VAL 88 Cb -0.29 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1t3v s VAL 88 CO 0.34 -0.25 0.93 -0.63 0.00 0.00 0.00 175.10 175.50 1t3v s ILE 89 N 1.67 4.88 0.56 2.22 1.01 -0.14 -4.85 121.20 126.55 1t3v s ILE 89 Ca -0.01 1.92 0.06 0.00 0.00 0.00 0.00 60.65 62.63 1t3v s ILE 89 Cb -0.18 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.09 1t3v s ILE 89 CO -0.10 0.13 0.48 -0.54 0.00 0.00 0.00 174.94 174.91 1t3v s LYS 90 N 1.30 2.24 0.00 2.79 1.02 -1.26 -0.66 119.74 125.17 1t3v s LYS 90 Ca 0.48 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1t3v s LYS 90 Cb -0.19 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1t3v s LYS 90 CO 0.23 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1t3v n GLY 91 N -1.88 0.62 2.44 -3.33 0.00 -0.87 -4.73 105.19 97.44 1t3v n GLY 91 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 0.74 -2.16 -3.75 4.61 0.00 -0.98 -5.00 120.51 113.97 1t3v n ALA 92 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 53.44 52.25 1t3v n ALA 92 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1t3v n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t3v s SER 93 N -3.65 -0.26 0.00 0.00 0.15 -1.26 -4.73 113.70 103.94 1t3v s SER 93 Ca 0.49 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1t3v s SER 93 Cb -0.04 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1t3v s SER 93 CO 0.37 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.35 1t3v n GLY 94 N -0.44 -1.70 3.87 9.45 0.00 -1.26 -4.57 105.19 110.54 1t3v n GLY 94 Ca -0.06 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.08 3.85 0.14 2.61 -4.23 -1.26 -1.30 115.64 115.37 1t3v s THR 95 Ca 0.00 0.60 -0.26 0.00 -1.18 0.00 0.00 61.69 60.85 1t3v s THR 95 Cb 0.00 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 1t3v s THR 95 CO 0.00 -0.79 1.61 0.58 -0.54 0.00 0.00 174.62 175.48 1t3v h VAL 96 N -0.58 0.26 0.00 2.29 2.07 -0.92 -0.31 116.25 119.06 1t3v h VAL 96 Ca -0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1t3v h VAL 96 Cb 1.23 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1t3v h VAL 96 CO 0.63 0.00 -0.02 1.05 0.02 0.00 0.00 177.57 179.25 1t3v h GLU 97 N -0.40 0.00 0.00 1.57 4.11 -1.61 -1.33 114.58 116.91 1t3v h GLU 97 Ca 0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.45 1t3v h GLU 97 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1t3v h GLU 97 CO -0.37 0.02 -0.56 1.49 0.07 0.00 0.00 179.01 179.66 1t3v h GLU 98 N 0.00 0.00 -0.60 1.06 4.81 -1.68 -3.23 114.58 114.94 1t3v h GLU 98 Ca -0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1t3v h GLU 98 Cb 0.28 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1t3v h GLU 98 CO 0.00 0.59 0.17 0.28 -0.73 0.00 0.00 179.01 179.32 1t3v h VAL 99 N -1.00 0.68 0.09 0.32 2.07 -0.88 0.15 116.25 117.68 1t3v h VAL 99 Ca -0.12 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1t3v h VAL 99 Cb 0.82 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1t3v h VAL 99 CO -0.07 0.06 -0.20 0.58 0.02 0.00 0.00 177.57 177.96 1t3v h VAL 100 N 0.31 0.55 -0.66 2.57 2.07 -1.43 -1.78 116.25 117.89 1t3v h VAL 100 Ca 0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 1t3v h VAL 100 Cb 0.44 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1t3v h VAL 100 CO -0.37 0.00 0.28 -1.13 0.02 0.00 0.00 177.57 176.37 1t3v h ASN 101 N -0.37 0.86 -0.33 0.57 -0.73 -1.17 -0.46 115.58 113.96 1t3v h ASN 101 Ca 0.03 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1t3v h ASN 101 Cb 0.40 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1t3v h ASN 101 CO -0.12 0.76 0.21 1.56 -0.37 0.00 0.00 177.43 179.47 1t3v h GLN 102 N 0.94 0.42 0.38 6.67 4.20 -0.46 0.42 115.11 127.67 1t3v h GLN 102 Ca 0.22 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1t3v h GLN 102 Cb 0.15 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1t3v h GLN 102 CO -0.02 0.28 -0.18 -0.92 -0.67 0.00 0.00 178.83 177.32 1t3v h TYR 103 N 0.44 -0.47 -0.46 2.96 3.20 -0.94 0.50 116.97 122.19 1t3v h TYR 103 Ca 0.12 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.09 1t3v h TYR 103 Cb -0.04 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1t3v h TYR 103 CO -0.06 -0.25 0.32 -0.07 -1.64 0.00 0.00 178.16 176.46 1t3v h LEU 104 N -0.57 0.13 -0.54 2.82 4.07 -0.91 0.32 115.31 120.63 1t3v h LEU 104 Ca -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 1t3v h LEU 104 Cb 0.43 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1t3v h LEU 104 CO 0.08 0.08 -0.19 0.28 -1.08 0.00 0.00 178.44 177.62 1t3v h SER 105 N 0.14 0.00 0.00 -0.43 0.02 -0.72 -3.47 113.55 109.09 1t3v h SER 105 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1t3v h SER 105 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1t3v h SER 105 CO -0.03 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 1t3v n GLY 106 N 0.70 0.85 0.17 -3.77 0.00 0.10 -4.98 105.19 98.27 1t3v n GLY 106 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 3.41 0.00 -5.84 1.61 1.08 -1.11 -3.45 115.11 110.81 1t3v h GLN 107 Ca 0.00 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.57 1t3v h GLN 107 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1t3v h GLN 107 CO 0.00 0.25 -0.44 -0.51 -0.95 0.00 0.00 178.83 177.17 1t3v s LEU 108 N -6.27 4.37 0.16 1.46 1.02 -1.17 -4.95 118.68 113.29 1t3v s LEU 108 Ca 0.05 0.45 -0.06 0.00 0.02 0.00 0.00 54.13 54.58 1t3v s LEU 108 Cb 0.07 -2.62 -0.02 0.00 0.02 0.00 0.00 46.19 43.64 1t3v s LEU 108 CO 0.72 0.26 0.22 -1.59 0.02 0.00 0.00 176.35 175.98 1t3v s LYS 109 N -1.82 1.09 -0.88 1.70 0.00 -1.26 -4.81 119.74 113.76 1t3v s LYS 109 Ca 0.27 -1.26 -0.18 0.00 0.00 0.00 0.00 55.97 54.80 1t3v s LYS 109 Cb -0.13 0.34 0.15 0.00 0.00 0.00 0.00 37.83 38.19 1t3v s LYS 109 CO 0.17 -0.38 1.02 0.16 0.00 0.00 0.00 175.35 176.32 1t3v s ASP 110 N -3.00 6.62 -0.39 0.03 -4.77 -1.26 -4.46 116.67 109.44 1t3v s ASP 110 Ca 0.20 -2.13 0.01 0.00 -3.30 0.00 0.00 52.55 47.33 1t3v s ASP 110 Cb 0.05 -2.35 0.14 0.00 -1.09 0.00 0.00 42.92 39.66 1t3v s ASP 110 CO 0.01 -0.97 0.24 -0.44 0.70 0.00 0.00 175.17 174.71 1t3v s SER 111 N 3.30 3.11 -0.29 2.11 0.01 -1.26 -5.03 113.70 115.65 1t3v s SER 111 Ca 0.28 -2.45 -0.01 0.00 1.31 0.00 0.00 55.95 55.08 1t3v s SER 111 Cb -0.07 -0.65 0.19 0.00 0.21 0.00 0.00 66.02 65.70 1t3v s SER 111 CO -0.08 -0.28 0.76 -0.62 0.41 0.00 0.00 173.24 173.43 1t3v s ASP 112 N 0.68 -1.17 0.33 2.44 -1.08 -1.26 -4.81 116.67 111.80 1t3v s ASP 112 Ca 0.19 0.22 -0.18 0.00 -0.52 0.00 0.00 52.55 52.26 1t3v s ASP 112 Cb -0.21 1.78 0.05 0.00 -1.46 0.00 0.00 42.92 43.07 1t3v s ASP 112 CO -0.01 -0.21 0.79 -0.47 0.52 0.00 0.00 175.17 175.78 1t3v s TYR 113 N 2.88 0.01 -0.04 -5.34 6.14 -1.26 -4.95 117.35 114.80 1t3v s TYR 113 Ca 0.16 -0.59 0.05 0.00 0.64 0.00 0.00 57.07 57.33 1t3v s TYR 113 Cb -0.08 0.79 -0.01 0.00 0.42 0.00 0.00 41.96 43.08 1t3v s TYR 113 CO -0.24 -1.40 -0.20 -1.83 0.64 0.00 0.00 175.55 172.52 1t3v s GLU 114 N -2.83 1.91 -1.21 4.97 -1.05 -1.26 -5.07 118.70 114.16 1t3v s GLU 114 Ca 0.14 -0.71 -0.20 0.00 -0.15 0.00 0.00 54.97 54.05 1t3v s GLU 114 Cb -0.05 -1.70 0.03 0.00 -0.44 0.00 0.00 34.13 31.97 1t3v s GLU 114 CO 0.09 0.33 1.75 0.14 0.95 0.00 0.00 175.26 178.53 1t3v s VAL 115 N -0.16 3.93 0.28 1.83 -7.23 -1.26 -4.85 120.40 112.93 1t3v s VAL 115 Ca -0.00 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1t3v s VAL 115 Cb -0.11 -4.98 -0.02 0.00 0.56 0.00 0.00 36.38 31.83 1t3v s VAL 115 CO 0.02 -1.74 0.33 -1.00 -0.31 0.00 0.00 175.10 172.40 1t3v s HIS 116 N 6.11 1.08 0.37 2.82 4.02 -1.26 -5.15 115.29 123.28 1t3v s HIS 116 Ca 0.57 -1.27 0.00 0.00 1.02 0.00 0.00 55.06 55.37 1t3v s HIS 116 Cb 0.02 -0.29 0.00 0.00 -1.02 0.00 0.00 32.58 31.28 1t3v s HIS 116 CO 0.06 -0.90 0.00 -3.47 1.02 0.00 0.00 174.74 171.45 1t3v n ASP 117 N -0.87 -7.51 -2.79 1.40 2.03 -1.26 -4.95 116.55 102.60 1t3v n ASP 117 Ca 0.02 0.74 -0.10 0.00 0.52 0.00 0.00 54.79 55.97 1t3v n ASP 117 Cb 0.63 -3.96 0.08 0.00 -0.72 0.00 0.00 41.12 37.15 1t3v n ASP 117 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1t3v n HIS 118 N -3.97 -2.19 -1.52 -0.67 -0.00 -1.26 -5.15 115.22 100.47 1t3v n HIS 118 Ca -0.02 -2.37 -0.57 0.00 -0.00 0.00 0.00 57.72 54.77 1t3v n HIS 118 Cb 0.58 1.24 -0.07 0.00 -0.00 0.00 0.00 29.99 31.74 1t3v n HIS 118 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1t3v n HIS 119 N 0.16 0.79 -4.24 1.57 -0.00 -1.26 -4.99 115.22 107.24 1t3v n HIS 119 Ca 0.07 0.96 -0.18 0.00 0.46 0.00 0.00 57.72 59.03 1t3v n HIS 119 Cb 0.73 -2.14 -0.08 0.00 -0.12 0.00 0.00 29.99 28.38 1t3v n HIS 119 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1t3v s HIS 120 N 0.05 1.58 0.29 1.57 -3.43 -1.26 -5.11 115.29 108.98 1t3v s HIS 120 Ca 0.88 -1.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.56 1t3v s HIS 120 Cb -1.17 -0.60 0.00 0.00 -1.43 0.00 0.00 32.58 29.38 1t3v s HIS 120 CO 0.55 -0.89 0.00 1.58 -2.00 0.00 0.00 174.74 173.98 1t3v n HIS 121 N -0.57 -2.71 -1.47 0.38 -0.00 -1.26 -5.09 115.22 104.50 1t3v n HIS 121 Ca 0.06 1.38 0.00 0.00 -0.00 0.00 0.00 57.72 59.16 1t3v n HIS 121 Cb 0.63 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1t3v n HIS 121 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1t3v n GLU 122 N -3.57 -2.13 -3.68 1.57 2.13 -1.26 -5.13 120.64 108.57 1t3v n GLU 122 Ca -0.01 1.84 -0.12 0.00 0.66 0.00 0.00 57.16 59.52 1t3v n GLU 122 Cb 0.49 -2.12 -0.09 0.00 0.27 0.00 0.00 31.44 29.99 1t3v n GLU 122 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1t3v s HIS 123 N -0.24 -0.65 0.00 4.31 2.46 -1.26 -5.24 115.29 114.67 1t3v s HIS 123 Ca 0.00 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.05 1t3v s HIS 123 Cb 0.00 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 1t3v s HIS 123 CO 0.00 -0.32 0.11 1.58 -2.47 0.00 0.00 174.74 173.64