#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 0.03 -0.27 1.12 1.01 -1.26 -3.41 121.20 118.42 1t3v s ILE 2 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1t3v s ILE 2 Cb 0.00 -0.20 0.08 0.00 0.01 0.00 0.00 42.46 42.36 1t3v s ILE 2 CO 0.00 -0.13 0.06 -0.63 0.00 0.00 0.00 174.94 174.24 1t3v s ILE 3 N -0.39 0.87 0.22 2.92 1.09 0.65 -0.76 121.20 125.79 1t3v s ILE 3 Ca -0.05 -1.13 -0.28 0.00 -1.10 0.00 0.00 60.65 58.09 1t3v s ILE 3 Cb -0.03 -1.50 -0.09 0.00 -1.06 0.00 0.00 42.46 39.78 1t3v s ILE 3 CO 0.00 -0.46 0.88 0.00 -0.10 0.00 0.00 174.94 175.27 1t3v s ALA 4 N 1.65 3.37 -0.14 9.38 0.00 -0.69 -0.80 121.76 134.53 1t3v s ALA 4 Ca 0.04 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1t3v s ALA 4 Cb -0.17 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 19.87 1t3v s ALA 4 CO -0.17 0.24 0.05 0.42 0.00 0.00 0.00 175.76 176.29 1t3v s ILE 5 N -1.20 0.22 -0.47 0.00 1.01 0.27 -0.32 121.20 120.71 1t3v s ILE 5 Ca 0.40 -0.18 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 1t3v s ILE 5 Cb -0.25 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1t3v s ILE 5 CO 0.30 -0.10 1.41 -2.16 0.00 0.00 0.00 174.94 174.39 1t3v s PRO 6 N 2.01 3.46 0.21 2.79 0.04 -1.26 -0.72 135.00 141.53 1t3v s PRO 6 Ca 0.02 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.85 1t3v s PRO 6 Cb -0.15 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 1t3v s PRO 6 CO -0.07 -1.72 0.32 0.14 0.04 0.00 0.00 177.00 175.71 1t3v s VAL 7 N 5.70 5.20 -0.13 -0.36 -7.23 -1.18 -0.31 120.40 122.10 1t3v s VAL 7 Ca 0.58 -0.92 0.14 0.00 -1.81 0.00 0.00 61.98 59.97 1t3v s VAL 7 Cb -0.12 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.05 1t3v s VAL 7 CO 0.30 -0.25 1.34 0.28 -0.31 0.00 0.00 175.10 176.46 1t3v h SER 8 N 1.54 0.00 -5.07 4.85 0.02 -1.21 -3.19 113.55 110.48 1t3v h SER 8 Ca -0.51 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.38 1t3v h SER 8 Cb 1.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 1t3v h SER 8 CO 0.63 0.56 -0.14 -1.61 -1.14 0.00 0.00 176.83 175.14 1t3v s GLU 9 N -2.93 0.97 -1.04 3.45 0.41 -1.26 -4.75 118.70 113.55 1t3v s GLU 9 Ca 0.03 -0.61 -0.13 0.00 -0.41 0.00 0.00 54.97 53.84 1t3v s GLU 9 Cb 0.08 0.42 0.21 0.00 -1.78 0.00 0.00 34.13 33.06 1t3v s GLU 9 CO 0.76 -0.35 1.13 1.21 -0.49 0.00 0.00 175.26 177.52 1t3v s ASN 10 N -2.49 7.00 -0.50 -0.19 3.84 -1.26 -4.18 114.94 117.17 1t3v s ASN 10 Ca -0.00 -2.94 0.02 0.00 0.21 0.00 0.00 52.86 50.15 1t3v s ASN 10 Cb 0.01 -2.30 0.47 0.00 -0.55 0.00 0.00 41.25 38.88 1t3v s ASN 10 CO -0.08 -0.62 1.70 0.54 -2.79 0.00 0.00 177.10 175.85 1t3v n ARG 11 N 4.50 2.91 -2.60 0.43 1.74 -1.26 -4.95 116.66 117.43 1t3v n ARG 11 Ca 0.25 -3.56 -0.24 0.00 -0.77 0.00 0.00 57.85 53.52 1t3v n ARG 11 Cb 0.44 -2.24 0.02 0.00 -1.02 0.00 0.00 32.46 29.66 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 -0.88 0.08 4.10 -0.13 0.00 -1.26 -1.52 105.19 105.58 1t3v n GLY 12 Ca 0.54 0.71 0.00 0.00 0.00 0.00 0.00 46.02 47.27 1t3v n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t3v n LYS 13 N -0.19 0.00 0.00 1.61 5.02 -1.26 -4.65 118.16 118.69 1t3v n LYS 13 Ca -0.06 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.29 1t3v n LYS 13 Cb 0.43 -0.10 0.29 0.00 -0.02 0.00 0.00 35.03 35.62 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1t3v n ASP 14 N 1.46 0.00 -4.24 4.39 9.92 -0.57 -0.97 116.55 126.54 1t3v n ASP 14 Ca 0.00 0.30 -0.52 0.00 -0.53 0.00 0.00 54.79 54.04 1t3v n ASP 14 Cb 0.00 -0.39 -0.13 0.00 -0.64 0.00 0.00 41.12 39.96 1t3v n ASP 14 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1t3v n SER 15 N -1.39 0.58 -4.73 -2.24 7.64 -1.21 -4.61 113.62 107.65 1t3v n SER 15 Ca 0.04 0.50 -0.41 0.00 1.01 0.00 0.00 58.87 60.01 1t3v n SER 15 Cb 0.12 -0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 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 6.86 4.55 0.11 1.43 0.04 -1.26 -1.53 135.00 145.20 1t3v s PRO 16 Ca 1.23 1.69 -0.31 0.00 0.04 0.00 0.00 61.00 63.65 1t3v s PRO 16 Cb -1.39 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 29.75 1t3v s PRO 16 CO 0.59 -0.01 1.62 -1.50 0.04 0.00 0.00 177.00 177.74 1t3v s ILE 17 N 0.21 2.85 1.10 0.56 2.07 -0.80 -0.75 121.20 126.45 1t3v s ILE 17 Ca 0.52 0.46 -0.12 0.00 -1.41 0.00 0.00 60.65 60.09 1t3v s ILE 17 Cb -0.28 -3.29 0.25 0.00 0.13 0.00 0.00 42.46 39.26 1t3v s ILE 17 CO 0.33 0.01 1.05 -0.55 -1.91 0.00 0.00 174.94 173.87 1t3v s SER 18 N 1.88 1.53 0.13 4.50 0.15 0.58 -4.68 113.70 117.78 1t3v s SER 18 Ca 0.72 1.50 0.24 0.00 0.70 0.00 0.00 55.95 59.11 1t3v s SER 18 Cb -0.42 -2.23 0.30 0.00 -1.71 0.00 0.00 66.02 61.96 1t3v s SER 18 CO 0.32 -3.86 1.28 -0.33 1.20 0.00 0.00 173.24 171.85 1t3v h GLU 19 N -2.39 0.00 0.00 5.44 3.07 -1.95 -3.41 114.58 115.35 1t3v h GLU 19 Ca -0.58 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 57.83 1t3v h GLU 19 Cb 1.33 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.14 1t3v h GLU 19 CO 0.51 0.00 -0.38 0.72 -1.40 0.00 0.00 179.01 178.47 1t3v n HIS 20 N -2.16 0.08 0.03 4.33 8.25 -1.26 -1.28 115.22 123.21 1t3v n HIS 20 Ca 0.03 -2.13 0.00 0.00 -0.26 0.00 0.00 57.72 55.36 1t3v n HIS 20 Cb 0.45 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1t3v n HIS 20 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1t3v n PHE 21 N -0.73 -0.03 0.21 4.41 7.35 -1.26 -4.65 117.46 122.76 1t3v n PHE 21 Ca -0.04 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.68 1t3v n PHE 21 Cb 0.50 0.01 0.11 0.00 0.35 0.00 0.00 39.48 40.45 1t3v n PHE 21 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1t3v n GLY 22 N 3.26 -0.46 2.71 7.13 0.00 -1.26 -1.07 105.19 115.50 1t3v n GLY 22 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.31 1.55 -1.93 1.61 1.85 -1.26 -4.98 116.66 112.19 1t3v n ARG 23 Ca 0.02 -2.89 -0.39 0.00 -1.00 0.00 0.00 57.85 53.60 1t3v n ARG 23 Cb 0.04 -1.05 0.02 0.00 -1.05 0.00 0.00 32.46 30.42 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3v s ALA 24 N -2.69 3.02 -0.26 2.89 0.00 -0.23 -4.92 121.76 119.56 1t3v s ALA 24 Ca 0.23 1.27 0.28 0.00 0.00 0.00 0.00 51.96 53.74 1t3v s ALA 24 Cb 0.35 -3.52 0.93 0.00 0.00 0.00 0.00 23.12 20.88 1t3v s ALA 24 CO -0.07 -1.10 1.80 -1.00 0.00 0.00 0.00 175.76 175.40 1t3v h PRO 25 N 1.97 0.00 -3.87 0.00 0.13 -1.86 -3.42 132.00 124.95 1t3v h PRO 25 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1t3v h PRO 25 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 1t3v h PRO 25 CO 0.60 0.00 -0.40 0.71 -0.23 0.00 0.00 178.00 178.67 1t3v s TYR 26 N -3.40 0.23 -0.26 1.56 2.02 -1.21 -1.38 117.35 114.92 1t3v s TYR 26 Ca 0.05 -0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 1t3v s TYR 26 Cb 0.08 -0.10 0.08 0.00 -0.40 0.00 0.00 41.96 41.62 1t3v s TYR 26 CO 0.56 -0.54 0.07 -0.06 -1.57 0.00 0.00 175.55 174.01 1t3v s PHE 27 N -3.88 1.31 -0.92 2.71 0.08 -0.27 -3.08 117.98 113.93 1t3v s PHE 27 Ca 0.07 -1.28 -0.24 0.00 0.12 0.00 0.00 56.93 55.60 1t3v s PHE 27 Cb 0.05 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.22 1t3v s PHE 27 CO -0.10 -0.75 1.37 0.00 -0.10 0.00 0.00 175.22 175.64 1t3v s ALA 28 N 1.76 2.77 -0.69 5.36 0.00 0.10 -2.58 121.76 128.48 1t3v s ALA 28 Ca 0.04 -2.01 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 1t3v s ALA 28 Cb -0.17 -4.40 0.04 0.00 0.00 0.00 0.00 23.12 18.59 1t3v s ALA 28 CO -0.18 -3.46 1.18 -0.06 0.00 0.00 0.00 175.76 173.24 1t3v s PHE 29 N 5.05 2.44 0.53 0.00 0.08 -0.11 -0.56 117.98 125.41 1t3v s PHE 29 Ca 0.41 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 1t3v s PHE 29 Cb -0.03 -4.51 -0.03 0.00 -0.57 0.00 0.00 43.02 37.88 1t3v s PHE 29 CO -0.02 -1.87 0.86 0.08 -0.10 0.00 0.00 175.22 174.17 1t3v s VAL 30 N 5.18 4.73 0.00 -0.44 1.01 0.02 -1.23 120.40 129.68 1t3v s VAL 30 Ca 0.33 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1t3v s VAL 30 Cb -0.10 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1t3v s VAL 30 CO 0.16 -0.89 0.00 0.29 0.00 0.00 0.00 175.10 174.66 1t3v n LYS 31 N -2.43 2.18 -3.63 2.72 5.02 -0.55 -0.25 118.16 121.22 1t3v n LYS 31 Ca 0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 1t3v n LYS 31 Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 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 0.37 0.01 -0.05 -0.18 0.11 -1.13 -4.51 120.40 115.01 1t3v s VAL 32 Ca 0.00 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1t3v s VAL 32 Cb 0.00 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1t3v s VAL 32 CO 0.00 -0.03 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.98 1t3v s LYS 33 N -0.37 0.55 -0.97 1.54 2.47 0.37 -4.75 119.74 118.59 1t3v s LYS 33 Ca -0.05 0.07 -0.26 0.00 -1.56 0.00 0.00 55.97 54.17 1t3v s LYS 33 Cb -0.03 -0.81 0.04 0.00 -1.46 0.00 0.00 37.83 35.56 1t3v s LYS 33 CO 0.04 -0.22 0.56 0.09 0.16 0.00 0.00 175.35 175.98 1t3v n ASN 34 N 4.70 -3.51 -0.14 1.43 4.13 -1.26 -0.69 115.26 119.92 1t3v n ASN 34 Ca -0.15 -1.06 -0.02 0.00 1.68 0.00 0.00 54.58 55.03 1t3v n ASN 34 Cb 0.50 -1.32 -0.01 0.00 -1.54 0.00 0.00 39.78 37.41 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 -1.70 -5.22 -4.46 6.41 5.15 -1.26 -5.00 115.26 109.19 1t3v n ASN 35 Ca -0.12 0.05 -0.22 0.00 -0.60 0.00 0.00 54.58 53.68 1t3v n ASN 35 Cb 0.49 -2.88 -0.10 0.00 -0.53 0.00 0.00 39.78 36.76 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 -1.40 2.51 0.56 5.20 0.00 0.14 -5.05 121.76 123.70 1t3v s ALA 36 Ca 0.00 -1.95 0.25 0.00 0.00 0.00 0.00 51.96 50.26 1t3v s ALA 36 Cb 0.00 0.12 1.49 0.00 0.00 0.00 0.00 23.12 24.73 1t3v s ALA 36 CO 0.00 -0.03 2.06 0.82 0.00 0.00 0.00 175.76 178.62 1t3v h ILE 37 N 2.21 0.65 0.00 0.00 5.03 -1.81 0.11 117.51 123.70 1t3v h ILE 37 Ca -0.40 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1t3v h ILE 37 Cb 1.24 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.85 1t3v h ILE 37 CO 0.68 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 178.15 1t3v n ALA 38 N -2.48 0.00 -3.49 1.87 0.00 -1.26 -2.86 120.51 112.28 1t3v n ALA 38 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1t3v n ALA 38 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.53 -0.15 0.00 2.15 -1.26 -5.01 116.67 111.87 1t3v s ASP 39 Ca 0.00 0.30 -0.00 0.00 0.43 0.00 0.00 52.55 53.28 1t3v s ASP 39 Cb 0.00 0.50 0.03 0.00 -0.30 0.00 0.00 42.92 43.15 1t3v s ASP 39 CO 0.00 -0.69 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.60 1t3v s ILE 40 N -2.39 1.20 -0.48 4.11 -1.09 -1.26 -1.48 121.20 119.81 1t3v s ILE 40 Ca -0.03 -0.58 -0.06 0.00 -2.23 0.00 0.00 60.65 57.75 1t3v s ILE 40 Cb -0.01 -1.29 0.13 0.00 -1.58 0.00 0.00 42.46 39.71 1t3v s ILE 40 CO -0.02 0.24 0.32 -0.44 -1.23 0.00 0.00 174.94 173.80 1t3v s SER 41 N 1.61 5.51 -0.96 3.58 0.01 -0.36 -5.02 113.70 118.06 1t3v s SER 41 Ca 0.02 -2.11 -0.14 0.00 1.31 0.00 0.00 55.95 55.03 1t3v s SER 41 Cb -0.14 -1.93 0.20 0.00 0.21 0.00 0.00 66.02 64.36 1t3v s SER 41 CO -0.08 -0.59 1.03 0.54 0.41 0.00 0.00 173.24 174.54 1t3v s VAL 42 N 1.05 5.35 0.25 3.43 0.11 -1.26 -0.93 120.40 128.40 1t3v s VAL 42 Ca 0.09 -2.42 -0.04 0.00 -2.93 0.00 0.00 61.98 56.67 1t3v s VAL 42 Cb -0.24 -4.65 -0.05 0.00 -1.53 0.00 0.00 36.38 29.92 1t3v s VAL 42 CO -0.03 -1.28 0.50 -1.61 -3.33 0.00 0.00 175.10 169.35 1t3v s GLU 43 N 0.81 3.62 1.04 1.54 0.41 -1.07 -4.98 118.70 120.08 1t3v s GLU 43 Ca 0.28 -0.06 -0.12 0.00 -0.41 0.00 0.00 54.97 54.66 1t3v s GLU 43 Cb -0.07 -2.71 0.22 0.00 -1.78 0.00 0.00 34.13 29.78 1t3v s GLU 43 CO -0.08 0.29 1.07 -1.21 -0.49 0.00 0.00 175.26 174.85 1t3v s GLU 44 N -3.33 0.04 -0.46 1.61 2.02 -1.26 -1.12 118.70 116.21 1t3v s GLU 44 Ca 0.43 0.84 -0.24 0.00 0.02 0.00 0.00 54.97 56.01 1t3v s GLU 44 Cb -0.11 -1.67 0.03 0.00 0.10 0.00 0.00 34.13 32.48 1t3v s GLU 44 CO 0.28 -3.08 0.84 -0.80 0.02 0.00 0.00 175.26 172.53 1t3v s ASN 45 N -2.94 6.44 0.00 -0.19 0.01 -0.48 -4.21 114.94 113.57 1t3v s ASN 45 Ca 0.66 -0.03 0.12 0.00 -0.71 0.00 0.00 52.86 52.90 1t3v s ASN 45 Cb -0.22 -2.41 0.58 0.00 0.41 0.00 0.00 41.25 39.61 1t3v s ASN 45 CO 0.61 -0.97 1.33 -0.81 -1.51 0.00 0.00 177.10 175.75 1t3v n PRO 46 N 6.89 0.11 -2.44 -0.60 -0.04 -1.26 -2.69 135.00 134.97 1t3v n PRO 46 Ca 0.04 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.63 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 -1.36 2.78 -0.26 1.53 7.99 -1.26 -4.88 117.00 121.53 1t3v n LEU 47 Ca 0.05 -3.62 -0.03 0.00 -0.01 0.00 0.00 56.01 52.39 1t3v n LEU 47 Cb 0.11 0.15 0.08 0.00 -0.11 0.00 0.00 43.42 43.65 1t3v n LEU 47 CO 0.10 1.41 1.16 0.00 -1.51 0.00 0.00 177.39 178.55 1t3v h ALA 48 N 2.36 0.96 0.00 -1.18 0.00 -1.76 -3.35 119.26 116.28 1t3v h ALA 48 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t3v h ALA 48 Cb 1.38 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1t3v h ALA 48 CO 0.38 0.27 -0.25 0.00 0.00 0.00 0.00 179.25 179.65 1t3v n GLN 49 N -4.63 0.00 -3.14 0.00 10.64 -1.26 -4.58 117.38 114.41 1t3v n GLN 49 Ca 0.08 -0.51 -0.46 0.00 -1.83 0.00 0.00 57.00 54.28 1t3v n GLN 49 Cb 0.07 -0.26 -0.02 0.00 -0.86 0.00 0.00 30.24 29.17 1t3v n GLN 49 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1t3v s ASP 50 N -0.50 6.68 -1.19 2.61 -1.08 -1.26 -4.58 116.67 117.34 1t3v s ASP 50 Ca 0.00 -2.35 0.00 0.00 -0.52 0.00 0.00 52.55 49.68 1t3v s ASP 50 Cb 0.00 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1t3v s ASP 50 CO 0.00 -0.81 0.00 1.57 0.52 0.00 0.00 175.17 176.45 1t3v n HIS 51 N 5.21 -1.33 -1.64 -5.34 -0.00 -1.26 -4.55 115.22 106.31 1t3v n HIS 51 Ca 0.17 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.44 1t3v n HIS 51 Cb 0.48 -2.98 -0.04 0.00 -0.00 0.00 0.00 29.99 27.44 1t3v n HIS 51 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1t3v n VAL 52 N -3.50 0.60 -3.46 3.57 3.14 -1.26 -4.96 118.33 112.46 1t3v n VAL 52 Ca -0.17 -0.19 -0.24 0.00 -2.96 0.00 0.00 64.34 60.78 1t3v n VAL 52 Cb 0.62 -2.17 -0.12 0.00 -1.06 0.00 0.00 33.84 31.11 1t3v n VAL 52 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1t3v s HIS 53 N 5.20 0.05 -0.33 1.45 3.76 -1.26 -5.00 115.29 119.16 1t3v s HIS 53 Ca 0.94 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1t3v s HIS 53 Cb -0.53 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.45 1t3v s HIS 53 CO 0.45 -0.88 0.00 0.41 -0.85 0.00 0.00 174.74 173.87 1t3v n GLY 54 N 4.99 0.59 0.00 -2.22 0.00 -1.26 -4.83 105.19 102.46 1t3v n GLY 54 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.06 1.82 -0.17 4.61 0.00 -1.26 -4.55 120.51 122.02 1t3v n ALA 55 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1t3v n ALA 55 Cb 0.20 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.69 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 0.39 0.00 0.00 2.07 -1.88 0.19 116.25 117.03 1t3v h VAL 56 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1t3v h VAL 56 Cb 0.00 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1t3v h VAL 56 CO 0.00 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.14 1t3v h PRO 57 N -0.05 0.00 -0.53 1.57 0.13 -1.97 -3.19 132.00 127.95 1t3v h PRO 57 Ca 0.25 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.28 1t3v h PRO 57 Cb 0.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1t3v h PRO 57 CO -0.57 0.00 -0.08 -0.97 -0.23 0.00 0.00 178.00 176.15 1t3v h ASN 58 N 0.00 0.99 0.18 1.44 -0.73 -1.22 -0.54 115.58 115.70 1t3v h ASN 58 Ca 0.00 -0.34 -0.00 0.00 1.87 0.00 0.00 56.30 57.83 1t3v h ASN 58 Cb 0.80 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 1t3v h ASN 58 CO 0.00 1.10 -0.29 0.15 -0.37 0.00 0.00 177.43 178.02 1t3v h PHE 59 N 0.87 -0.83 0.00 0.67 3.57 -1.37 -2.50 116.94 117.34 1t3v h PHE 59 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1t3v h PHE 59 Cb 0.64 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1t3v h PHE 59 CO 0.05 -0.36 -0.15 -0.39 -2.23 0.00 0.00 178.31 175.23 1t3v h VAL 60 N -0.50 1.03 0.00 1.41 -1.51 -1.52 0.17 116.25 115.33 1t3v h VAL 60 Ca -0.02 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 1t3v h VAL 60 Cb 0.46 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1t3v h VAL 60 CO -0.10 0.14 -0.07 0.11 -1.23 0.00 0.00 177.57 176.43 1t3v h LYS 61 N 0.00 0.00 0.00 5.19 1.57 -1.03 -0.13 116.57 122.17 1t3v h LYS 61 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1t3v h LYS 61 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1t3v h LYS 61 CO 0.02 0.07 -0.29 1.05 -0.57 0.00 0.00 179.45 179.72 1t3v h GLU 62 N 0.00 0.00 -1.53 3.15 4.11 -0.19 -3.35 114.58 116.77 1t3v h GLU 62 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.18 1t3v h GLU 62 Cb 0.26 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 1t3v h GLU 62 CO 0.01 0.29 0.33 1.63 0.07 0.00 0.00 179.01 181.34 1t3v n LYS 63 N -3.42 1.63 -3.76 1.06 4.76 -0.06 -4.88 118.16 113.48 1t3v n LYS 63 Ca 0.00 -1.25 -0.28 0.00 -2.87 0.00 0.00 58.31 53.90 1t3v n LYS 63 Cb 0.48 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 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 0.47 -0.40 3.93 0.72 0.00 -1.26 -4.89 105.19 103.77 1t3v n GLY 64 Ca 0.24 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.74 2.56 0.00 4.61 0.00 -1.26 -4.78 121.76 120.15 1t3v s ALA 65 Ca 0.55 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1t3v s ALA 65 Cb -0.32 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1t3v s ALA 65 CO 0.68 -2.06 0.00 0.39 0.00 0.00 0.00 175.76 174.77 1t3v n GLU 66 N -3.49 0.00 -4.19 0.00 1.02 -1.16 -4.88 120.64 107.93 1t3v n GLU 66 Ca 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1t3v n GLU 66 Cb 0.60 -0.45 -0.10 0.00 -0.02 0.00 0.00 31.44 31.47 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 -1.31 2.51 -0.04 -4.62 2.96 0.06 -1.16 118.68 117.07 1t3v s LEU 67 Ca 0.00 -1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 52.89 1t3v s LEU 67 Cb 0.00 -0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.56 1t3v s LEU 67 CO 0.00 -0.42 0.09 -0.69 -1.32 0.00 0.00 176.35 174.01 1t3v s VAL 68 N -3.49 -0.05 -0.28 1.68 1.01 -0.94 -1.71 120.40 116.62 1t3v s VAL 68 Ca 0.13 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1t3v s VAL 68 Cb 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.29 1t3v s VAL 68 CO -0.03 0.08 -0.02 -0.63 0.00 0.00 0.00 175.10 174.50 1t3v s ILE 69 N 1.09 3.01 0.32 2.22 1.01 0.56 -0.43 121.20 128.99 1t3v s ILE 69 Ca -0.09 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.41 1t3v s ILE 69 Cb -0.12 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 1t3v s ILE 69 CO -0.04 0.03 0.07 0.68 0.00 0.00 0.00 174.94 175.67 1t3v s VAL 70 N 1.30 1.09 0.00 2.92 -7.23 0.28 -4.18 120.40 114.58 1t3v s VAL 70 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1t3v s VAL 70 Cb -0.18 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1t3v s VAL 70 CO -0.02 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.63 1t3v n ARG 71 N -0.67 0.00 0.14 4.82 0.63 -1.26 -1.41 116.66 118.91 1t3v n ARG 71 Ca -0.02 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.03 1t3v n ARG 71 Cb 0.66 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.62 1t3v n ARG 71 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1t3v h GLY 72 N 0.00 0.00 0.00 5.14 0.00 -1.49 -0.70 103.07 106.02 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 -2.79 0.00 -2.66 2.60 3.06 -1.26 -4.95 119.36 113.36 1t3v n ILE 73 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1t3v n ILE 73 Cb 0.54 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.72 1t3v n ILE 73 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1t3v n GLY 74 N 0.00 1.95 0.12 4.50 0.00 -1.26 -4.50 105.19 106.00 1t3v n GLY 74 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 1t3v n GLY 74 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1t3v n ARG 75 N 0.00 0.66 0.33 1.61 0.00 -1.26 -4.41 116.66 113.59 1t3v n ARG 75 Ca 0.00 0.12 0.21 0.00 -0.00 0.00 0.00 57.85 58.19 1t3v n ARG 75 Cb 0.00 -1.53 1.14 0.00 0.00 0.00 0.00 32.46 32.07 1t3v n ARG 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1t3v h ARG 76 N 0.00 0.00 -0.01 -0.14 0.11 -2.01 0.73 114.38 113.07 1t3v h ARG 76 Ca -0.56 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.52 1t3v h ARG 76 Cb 1.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.06 1t3v h ARG 76 CO -0.05 0.00 -0.27 0.00 0.10 0.00 0.00 179.97 179.75 1t3v n ALA 77 N -2.12 3.01 -0.33 0.08 0.00 -1.26 -3.87 120.51 116.03 1t3v n ALA 77 Ca -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 52.94 1t3v n ALA 77 Cb 0.09 -0.48 0.17 0.00 0.00 0.00 0.00 19.45 19.24 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 1.56 0.99 0.00 0.00 1.08 -1.06 -1.98 117.51 118.10 1t3v h ILE 78 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1t3v h ILE 78 Cb 0.47 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 1t3v h ILE 78 CO 0.00 0.18 0.13 0.00 -0.69 0.00 0.00 178.15 177.76 1t3v h ALA 79 N 1.45 1.11 0.23 1.87 0.00 -1.62 -0.12 119.26 122.18 1t3v h ALA 79 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1t3v h ALA 79 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1t3v h ALA 79 CO -0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 179.25 178.82 1t3v h ALA 80 N 1.73 -0.31 -0.74 0.00 0.00 -1.54 -3.06 119.26 115.33 1t3v h ALA 80 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1t3v h ALA 80 Cb 0.25 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1t3v h ALA 80 CO 0.00 -0.38 0.23 0.74 0.00 0.00 0.00 179.25 179.85 1t3v h PHE 81 N -0.91 1.19 -0.27 0.00 0.04 -1.37 -0.21 116.94 115.41 1t3v h PHE 81 Ca -0.03 -0.12 0.08 0.00 2.80 0.00 0.00 57.97 60.70 1t3v h PHE 81 Cb 0.50 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1t3v h PHE 81 CO 0.06 0.94 0.23 0.93 -0.60 0.00 0.00 178.31 179.87 1t3v h GLU 82 N 1.10 0.00 0.00 1.51 5.08 -1.18 0.18 114.58 121.26 1t3v h GLU 82 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1t3v h GLU 82 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1t3v h GLU 82 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1t3v n ALA 83 N -2.46 1.61 -0.54 3.43 0.00 -0.09 -2.54 120.51 119.92 1t3v n ALA 83 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1t3v n ALA 83 Cb 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.81 0.71 -3.41 0.00 -0.00 -0.36 -5.00 117.12 107.25 1t3v n MET 84 Ca 0.03 -0.70 -0.25 0.00 -0.00 0.00 0.00 57.70 56.78 1t3v n MET 84 Cb 0.18 -0.73 0.03 0.00 -0.00 0.00 0.00 33.22 32.70 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 -0.15 -0.51 3.66 3.17 0.00 -0.07 -4.94 105.19 106.35 1t3v n GLY 85 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.17 4.74 0.59 1.61 1.01 0.43 -4.96 120.40 120.65 1t3v s VAL 86 Ca 0.46 1.92 -0.20 0.00 0.00 0.00 0.00 61.98 64.16 1t3v s VAL 86 Cb -0.22 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1t3v s VAL 86 CO 0.57 -0.12 1.28 1.17 0.00 0.00 0.00 175.10 178.00 1t3v n LYS 87 N 6.00 1.39 -4.40 2.72 4.81 -0.31 -4.33 118.16 124.04 1t3v n LYS 87 Ca 0.10 0.52 -0.27 0.00 -0.87 0.00 0.00 58.31 57.80 1t3v n LYS 87 Cb 0.47 -2.50 -0.17 0.00 0.02 0.00 0.00 35.03 32.85 1t3v n LYS 87 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1t3v s VAL 88 N -1.35 1.25 -0.21 3.15 1.01 -1.26 -2.21 120.40 120.78 1t3v s VAL 88 Ca 0.76 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1t3v s VAL 88 Cb -0.41 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1t3v s VAL 88 CO 0.46 0.39 -0.08 -0.63 0.00 0.00 0.00 175.10 175.24 1t3v s ILE 89 N 1.00 3.03 0.25 2.22 1.01 0.43 -4.77 121.20 124.37 1t3v s ILE 89 Ca -0.08 -0.62 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1t3v s ILE 89 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1t3v s ILE 89 CO -0.01 0.45 -0.03 -0.54 0.00 0.00 0.00 174.94 174.81 1t3v s LYS 90 N 1.43 2.24 0.00 2.79 3.01 -1.23 -0.56 119.74 127.42 1t3v s LYS 90 Ca 0.05 -1.39 0.00 0.00 -1.01 0.00 0.00 55.97 53.63 1t3v s LYS 90 Cb -0.14 -2.16 0.00 0.00 -1.01 0.00 0.00 37.83 34.52 1t3v s LYS 90 CO -0.06 0.38 0.00 0.41 0.51 0.00 0.00 175.35 176.59 1t3v n GLY 91 N -0.69 0.63 3.43 -3.33 0.00 -0.27 -4.67 105.19 100.29 1t3v n GLY 91 Ca -0.07 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.45 -0.10 4.61 0.00 -0.55 -4.91 121.76 118.35 1t3v s ALA 92 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 1t3v s ALA 92 Cb 0.00 -3.07 0.08 0.00 0.00 0.00 0.00 23.12 20.13 1t3v s ALA 92 CO 0.00 -4.12 0.75 -1.54 0.00 0.00 0.00 175.76 170.85 1t3v s SER 93 N -2.98 -0.61 0.00 0.00 1.04 -1.26 -4.66 113.70 105.23 1t3v s SER 93 Ca 0.69 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.87 1t3v s SER 93 Cb -0.18 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1t3v s SER 93 CO 0.61 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1t3v n GLY 94 N 1.11 -0.13 3.92 7.32 0.00 -1.26 -4.45 105.19 111.70 1t3v n GLY 94 Ca -0.17 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.33 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 0.00 2.03 0.03 2.61 -4.23 -1.26 -1.90 115.64 112.92 1t3v s THR 95 Ca 0.00 -0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.19 1t3v s THR 95 Cb 0.00 -2.97 -0.17 0.00 1.34 0.00 0.00 72.50 70.70 1t3v s THR 95 CO 0.00 0.00 1.37 0.58 -0.54 0.00 0.00 174.62 176.03 1t3v h VAL 96 N -1.31 0.60 -0.89 2.29 2.07 0.02 0.03 116.25 119.06 1t3v h VAL 96 Ca -0.44 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 66.80 1t3v h VAL 96 Cb 1.27 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1t3v h VAL 96 CO 0.49 0.07 0.57 1.05 0.02 0.00 0.00 177.57 179.77 1t3v h GLU 97 N -0.75 0.84 -0.00 1.57 4.11 -1.69 0.44 114.58 119.10 1t3v h GLU 97 Ca -0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 1t3v h GLU 97 Cb 0.51 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1t3v h GLU 97 CO 0.09 0.55 -0.01 1.49 0.07 0.00 0.00 179.01 181.21 1t3v h GLU 98 N 0.86 0.01 -0.96 1.06 4.81 -1.80 -1.01 114.58 117.54 1t3v h GLU 98 Ca 0.42 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.70 1t3v h GLU 98 Cb 0.44 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1t3v h GLU 98 CO -0.18 0.55 0.62 0.28 -0.73 0.00 0.00 179.01 179.55 1t3v h VAL 99 N -0.53 1.09 0.14 0.32 2.07 -0.55 0.21 116.25 119.00 1t3v h VAL 99 Ca 0.00 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1t3v h VAL 99 Cb 0.55 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1t3v h VAL 99 CO 0.00 0.21 -0.10 0.58 0.02 0.00 0.00 177.57 178.28 1t3v h VAL 100 N 1.14 0.78 -0.45 2.57 2.07 -0.87 -2.32 116.25 119.17 1t3v h VAL 100 Ca 0.41 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.92 1t3v h VAL 100 Cb 0.13 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1t3v h VAL 100 CO -0.16 0.00 0.23 -1.13 0.02 0.00 0.00 177.57 176.53 1t3v h ASN 101 N -0.24 0.58 -0.98 0.57 -0.73 -0.09 -1.07 115.58 113.61 1t3v h ASN 101 Ca -0.01 -0.11 0.16 0.00 1.87 0.00 0.00 56.30 58.21 1t3v h ASN 101 Cb 0.21 -0.15 -0.09 0.00 0.27 0.00 0.00 38.32 38.56 1t3v h ASN 101 CO 0.00 0.52 0.62 1.56 -0.37 0.00 0.00 177.43 179.76 1t3v h GLN 102 N 0.59 0.79 0.00 6.67 4.20 -0.46 0.17 115.11 127.07 1t3v h GLN 102 Ca 0.16 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 1t3v h GLN 102 Cb 0.09 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 27.70 1t3v h GLN 102 CO -0.02 0.52 -0.72 -0.92 -0.67 0.00 0.00 178.83 177.02 1t3v h TYR 103 N 0.82 0.72 0.00 2.96 3.20 -1.03 0.22 116.97 123.85 1t3v h TYR 103 Ca 0.52 -0.39 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1t3v h TYR 103 Cb 0.74 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1t3v h TYR 103 CO -0.00 1.22 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.57 1t3v h LEU 104 N 0.01 0.00 0.19 2.82 4.07 -0.36 -1.69 115.31 120.35 1t3v h LEU 104 Ca -0.09 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.56 1t3v h LEU 104 Cb 1.42 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.18 1t3v h LEU 104 CO 0.14 0.10 -1.40 0.28 -1.08 0.00 0.00 178.44 176.48 1t3v h SER 105 N 0.00 0.62 0.00 -0.43 0.02 -0.73 -3.49 113.55 109.54 1t3v h SER 105 Ca -0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1t3v h SER 105 Cb 0.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1t3v h SER 105 CO 0.01 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.85 1t3v n GLY 106 N 1.64 1.26 0.23 -3.77 0.00 -0.35 -5.00 105.19 99.20 1t3v n GLY 106 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 1.89 0.75 -6.82 1.61 1.08 -0.89 -3.44 115.11 109.30 1t3v h GLN 107 Ca 0.00 -0.09 -0.52 0.00 -1.45 0.00 0.00 58.65 56.58 1t3v h GLN 107 Cb 0.00 -0.15 0.06 0.00 -0.05 0.00 0.00 27.48 27.35 1t3v h GLN 107 CO 0.00 0.59 0.69 -0.51 -0.95 0.00 0.00 178.83 178.65 1t3v s LEU 108 N -9.95 4.41 0.09 1.46 2.01 -1.14 -5.01 118.68 110.55 1t3v s LEU 108 Ca -0.13 2.68 0.08 0.00 0.01 0.00 0.00 54.13 56.77 1t3v s LEU 108 Cb 0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 46.19 42.65 1t3v s LEU 108 CO 0.76 -0.61 -0.16 -0.75 1.01 0.00 0.00 176.35 176.60 1t3v s LYS 109 N -1.16 1.96 -0.54 1.70 2.47 -1.26 -4.91 119.74 117.99 1t3v s LYS 109 Ca 0.53 -1.08 0.06 0.00 -1.56 0.00 0.00 55.97 53.92 1t3v s LYS 109 Cb -0.41 -2.19 0.35 0.00 -1.46 0.00 0.00 37.83 34.13 1t3v s LYS 109 CO 0.49 0.50 0.96 -0.40 0.16 0.00 0.00 175.35 177.06 1t3v n ASP 110 N 0.97 4.22 -4.69 1.43 5.75 -1.26 -3.51 116.55 119.45 1t3v n ASP 110 Ca -0.15 -3.63 -0.37 0.00 -0.01 0.00 0.00 54.79 50.63 1t3v n ASP 110 Cb 0.52 -0.55 0.07 0.00 -1.03 0.00 0.00 41.12 40.13 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 -0.24 1.63 -4.70 -1.12 2.88 -1.26 -5.06 113.62 105.75 1t3v n SER 111 Ca 0.31 0.81 -0.26 0.00 -1.33 0.00 0.00 58.87 58.41 1t3v n SER 111 Cb 0.46 -1.50 -0.09 0.00 -0.75 0.00 0.00 64.21 62.33 1t3v n SER 111 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1t3v s ASP 112 N -1.36 4.23 0.00 -3.46 1.01 -1.26 -4.77 116.67 111.06 1t3v s ASP 112 Ca 0.81 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1t3v s ASP 112 Cb -0.39 -0.45 0.00 0.00 1.01 0.00 0.00 42.92 43.09 1t3v s ASP 112 CO 0.42 -0.51 0.60 -1.22 0.21 0.00 0.00 175.17 174.68 1t3v n TYR 113 N -1.14 0.00 -2.73 4.23 4.01 -1.26 -5.15 117.16 115.12 1t3v n TYR 113 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1t3v n TYR 113 Cb 0.65 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.75 1t3v n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1t3v s GLU 114 N 0.00 2.08 0.01 -0.72 8.01 -1.26 -5.11 118.70 121.71 1t3v s GLU 114 Ca 0.00 -1.18 0.01 0.00 0.01 0.00 0.00 54.97 53.81 1t3v s GLU 114 Cb 0.00 -2.47 -0.01 0.00 -4.31 0.00 0.00 34.13 27.34 1t3v s GLU 114 CO 0.00 -1.08 -0.04 0.08 0.01 0.00 0.00 175.26 174.22 1t3v s VAL 115 N -2.90 0.32 -1.05 2.63 1.01 -1.26 -5.08 120.40 114.07 1t3v s VAL 115 Ca 0.63 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1t3v s VAL 115 Cb -0.07 -0.33 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1t3v s VAL 115 CO 0.41 -0.11 1.47 -1.00 0.00 0.00 0.00 175.10 175.87 1t3v s HIS 116 N -0.59 2.59 0.00 5.22 3.76 -1.26 -4.79 115.29 120.22 1t3v s HIS 116 Ca -0.04 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1t3v s HIS 116 Cb -0.05 -4.69 0.00 0.00 1.11 0.00 0.00 32.58 28.96 1t3v s HIS 116 CO -0.00 -1.90 0.00 -3.47 -0.85 0.00 0.00 174.74 168.52 1t3v n ASP 117 N 8.70 0.00 0.00 1.40 2.03 -1.26 -3.97 116.55 123.45 1t3v n ASP 117 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1t3v n ASP 117 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1t3v n ASP 117 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1t3v n HIS 118 N 0.00 0.00 0.00 -0.67 8.25 -1.26 -4.99 115.22 116.55 1t3v n HIS 118 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1t3v n HIS 118 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1t3v n HIS 118 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1t3v n HIS 119 N 0.00 0.00 -3.03 4.41 1.44 -1.25 -5.13 115.22 111.66 1t3v n HIS 119 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1t3v n HIS 119 Cb 0.00 0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.55 -1.02 -1.32 -1.40 -0.00 -1.26 -4.64 115.22 104.02 1t3v n HIS 120 Ca 0.00 0.52 0.15 0.00 0.46 0.00 0.00 57.72 58.85 1t3v n HIS 120 Cb 0.01 -1.72 -0.08 0.00 -0.12 0.00 0.00 29.99 28.08 1t3v n HIS 120 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1t3v n HIS 121 N 1.65 -3.30 -2.59 1.57 -0.00 -1.26 -4.69 115.22 106.61 1t3v n HIS 121 Ca -0.04 1.82 -0.41 0.00 0.46 0.00 0.00 57.72 59.54 1t3v n HIS 121 Cb 0.29 -3.00 -0.03 0.00 -0.12 0.00 0.00 29.99 27.13 1t3v n HIS 121 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1t3v s GLU 122 N -4.41 3.63 -0.97 1.57 8.01 -1.26 -4.88 118.70 120.39 1t3v s GLU 122 Ca 0.00 -1.25 -0.24 0.00 0.01 0.00 0.00 54.97 53.49 1t3v s GLU 122 Cb 0.00 -5.35 -0.04 0.00 -4.31 0.00 0.00 34.13 24.43 1t3v s GLU 122 CO 0.00 -2.19 1.89 -1.58 0.01 0.00 0.00 175.26 173.39 1t3v s HIS 123 N 4.76 1.93 -2.00 1.61 2.46 -1.26 -5.24 115.29 117.55 1t3v s HIS 123 Ca 0.46 0.39 0.12 0.00 0.47 0.00 0.00 55.06 56.50 1t3v s HIS 123 Cb 0.00 -4.13 0.72 0.00 -0.13 0.00 0.00 32.58 29.05 1t3v s HIS 123 CO -0.08 -1.68 1.15 1.58 -2.47 0.00 0.00 174.74 173.24