#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3v s ILE 2 N 0.00 3.50 -0.31 3.17 1.01 -1.26 -2.67 121.20 124.64 1t3v s ILE 2 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1t3v s ILE 2 Cb 0.00 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 40.11 1t3v s ILE 2 CO 0.00 0.51 0.02 -0.63 0.00 0.00 0.00 174.94 174.85 1t3v s ILE 3 N -0.86 1.97 0.35 2.92 1.01 0.83 -0.76 121.20 126.65 1t3v s ILE 3 Ca 0.14 -1.97 -0.25 0.00 0.00 0.00 0.00 60.65 58.57 1t3v s ILE 3 Cb -0.11 -2.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.88 1t3v s ILE 3 CO 0.03 -0.47 0.94 0.00 0.00 0.00 0.00 174.94 175.45 1t3v s ALA 4 N 1.09 3.17 -0.08 9.38 0.00 -0.59 -0.36 121.76 134.38 1t3v s ALA 4 Ca 0.06 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1t3v s ALA 4 Cb -0.19 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1t3v s ALA 4 CO -0.10 0.17 0.05 0.42 0.00 0.00 0.00 175.76 176.30 1t3v s ILE 5 N -1.75 0.04 -0.38 0.00 1.01 0.35 -0.42 121.20 120.06 1t3v s ILE 5 Ca 0.53 0.22 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 1t3v s ILE 5 Cb -0.16 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1t3v s ILE 5 CO 0.21 0.11 1.75 -2.16 0.00 0.00 0.00 174.94 174.85 1t3v s PRO 6 N 2.10 3.28 0.22 2.79 0.04 -1.26 -1.12 135.00 141.05 1t3v s PRO 6 Ca 0.04 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1t3v s PRO 6 Cb -0.13 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 1t3v s PRO 6 CO -0.05 -1.92 0.31 0.14 0.04 0.00 0.00 177.00 175.52 1t3v s VAL 7 N 6.95 5.12 0.14 -0.36 -7.23 -0.63 -0.42 120.40 123.97 1t3v s VAL 7 Ca 0.76 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 1t3v s VAL 7 Cb -0.20 -3.75 -0.18 0.00 0.56 0.00 0.00 36.38 32.81 1t3v s VAL 7 CO 0.32 -0.28 1.33 0.28 -0.31 0.00 0.00 175.10 176.43 1t3v h SER 8 N 1.44 0.28 -4.59 4.85 0.02 -1.08 -3.05 113.55 111.41 1t3v h SER 8 Ca -0.51 -0.24 -0.14 0.00 -0.84 0.00 0.00 61.79 60.06 1t3v h SER 8 Cb 1.22 -0.09 -0.22 0.00 0.14 0.00 0.00 62.40 63.46 1t3v h SER 8 CO 0.62 1.08 -0.39 -1.61 -1.14 0.00 0.00 176.83 175.39 1t3v s GLU 9 N -3.08 0.48 -0.96 3.45 2.02 -1.26 -4.73 118.70 114.63 1t3v s GLU 9 Ca -0.03 -0.08 -0.20 0.00 0.02 0.00 0.00 54.97 54.69 1t3v s GLU 9 Cb 0.09 0.21 0.11 0.00 0.10 0.00 0.00 34.13 34.64 1t3v s GLU 9 CO 0.84 -0.11 1.23 1.21 0.02 0.00 0.00 175.26 178.45 1t3v s ASN 10 N -0.85 6.59 -0.44 -0.19 2.47 -1.26 -4.42 114.94 116.83 1t3v s ASN 10 Ca -0.09 -1.86 0.03 0.00 0.42 0.00 0.00 52.86 51.37 1t3v s ASN 10 Cb -0.05 -2.45 0.46 0.00 -1.45 0.00 0.00 41.25 37.76 1t3v s ASN 10 CO 0.02 -1.20 1.54 0.54 -3.72 0.00 0.00 177.10 174.28 1t3v n ARG 11 N 7.28 3.15 -1.13 0.43 1.74 -1.26 -4.98 116.66 121.90 1t3v n ARG 11 Ca 0.27 -3.77 0.00 0.00 -0.77 0.00 0.00 57.85 53.58 1t3v n ARG 11 Cb 0.50 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 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 -0.82 0.00 4.53 -0.13 0.00 -1.26 -1.66 105.19 105.85 1t3v n GLY 12 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.79 0.00 0.32 1.61 5.02 -1.26 -4.57 118.16 120.07 1t3v n LYS 13 Ca 0.00 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.50 1t3v n LYS 13 Cb 0.11 0.00 1.05 0.00 -0.02 0.00 0.00 35.03 36.17 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1t3v h ASP 14 N 0.00 0.00 0.00 4.39 5.19 -1.73 -2.59 116.42 121.68 1t3v h ASP 14 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 1t3v h ASP 14 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 1t3v h ASP 14 CO 0.00 0.00 1.11 -1.20 -3.12 0.00 0.00 179.24 176.03 1t3v n SER 15 N -3.10 0.27 -4.75 6.45 7.64 -1.14 -4.57 113.62 114.42 1t3v n SER 15 Ca -0.02 0.20 -0.41 0.00 1.01 0.00 0.00 58.87 59.65 1t3v n SER 15 Cb 0.15 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 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 5.54 4.41 0.38 1.43 0.04 -1.26 -1.22 135.00 144.32 1t3v s PRO 16 Ca 0.88 2.08 -0.28 0.00 0.04 0.00 0.00 61.00 63.72 1t3v s PRO 16 Cb -0.88 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 30.40 1t3v s PRO 16 CO 0.35 -0.16 1.47 -1.50 0.04 0.00 0.00 177.00 177.20 1t3v s ILE 17 N -0.50 2.08 1.06 0.56 2.07 -0.33 -0.62 121.20 125.51 1t3v s ILE 17 Ca 0.52 0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.67 1t3v s ILE 17 Cb -0.37 -3.05 0.23 0.00 0.13 0.00 0.00 42.46 39.40 1t3v s ILE 17 CO 0.44 0.02 1.23 -0.55 -1.91 0.00 0.00 174.94 174.17 1t3v s SER 18 N -0.18 2.26 0.01 4.50 0.15 0.44 -4.44 113.70 116.43 1t3v s SER 18 Ca 0.53 0.43 0.22 0.00 0.70 0.00 0.00 55.95 57.83 1t3v s SER 18 Cb -0.46 -0.57 -0.13 0.00 -1.71 0.00 0.00 66.02 63.16 1t3v s SER 18 CO 0.62 -3.28 0.87 -0.62 1.20 0.00 0.00 173.24 172.03 1t3v n GLU 19 N -4.16 0.25 -4.12 5.44 4.71 -1.26 -4.50 120.64 117.00 1t3v n GLU 19 Ca 0.14 -0.05 -0.18 0.00 -0.01 0.00 0.00 57.16 57.07 1t3v n GLU 19 Cb 0.59 -1.54 -0.06 0.00 -1.01 0.00 0.00 31.44 29.42 1t3v n GLU 19 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1t3v n HIS 20 N -1.84 -0.95 -0.00 -0.32 8.25 -1.26 -0.18 115.22 118.92 1t3v n HIS 20 Ca 0.01 -2.63 -0.00 0.00 -0.26 0.00 0.00 57.72 54.84 1t3v n HIS 20 Cb 0.42 0.35 -0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.61 0.00 0.25 4.41 7.35 -1.26 -4.68 117.46 122.92 1t3v n PHE 21 Ca 0.06 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.89 1t3v n PHE 21 Cb 0.59 -0.02 0.72 0.00 0.35 0.00 0.00 39.48 41.11 1t3v n PHE 21 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1t3v h GLY 22 N 0.02 0.00 -5.14 7.13 0.00 -1.95 -2.54 103.07 100.60 1t3v h GLY 22 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 1t3v h GLY 22 CO -0.00 0.00 -1.00 -0.96 0.00 0.00 0.00 176.54 174.58 1t3v n ARG 23 N -2.50 1.53 -1.98 4.80 1.85 -1.26 -4.93 116.66 114.17 1t3v n ARG 23 Ca -0.01 -3.07 -0.38 0.00 -1.00 0.00 0.00 57.85 53.40 1t3v n ARG 23 Cb 0.10 -1.20 0.02 0.00 -1.05 0.00 0.00 32.46 30.33 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 -2.96 2.85 -0.05 2.89 0.00 -0.96 -4.93 121.76 118.60 1t3v s ALA 24 Ca 0.25 1.16 0.25 0.00 0.00 0.00 0.00 51.96 53.62 1t3v s ALA 24 Cb 0.34 -3.49 0.77 0.00 0.00 0.00 0.00 23.12 20.74 1t3v s ALA 24 CO -0.06 -1.09 1.76 -1.00 0.00 0.00 0.00 175.76 175.37 1t3v h PRO 25 N 1.62 0.00 -2.90 0.00 0.13 -1.85 -3.44 132.00 125.56 1t3v h PRO 25 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 1t3v h PRO 25 Cb 1.28 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.23 1t3v h PRO 25 CO 0.58 0.16 -0.11 0.71 -0.23 0.00 0.00 178.00 179.11 1t3v s TYR 26 N -3.45 -0.30 -0.32 1.56 2.02 -1.15 -3.75 117.35 111.96 1t3v s TYR 26 Ca 0.03 0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 57.05 1t3v s TYR 26 Cb 0.08 0.21 0.05 0.00 -0.40 0.00 0.00 41.96 41.91 1t3v s TYR 26 CO 0.64 -0.53 0.04 -0.06 -1.57 0.00 0.00 175.55 174.06 1t3v s PHE 27 N -2.05 3.29 -0.84 2.71 0.08 -0.53 -1.61 117.98 119.04 1t3v s PHE 27 Ca -0.08 -1.80 -0.26 0.00 0.12 0.00 0.00 56.93 54.91 1t3v s PHE 27 Cb -0.02 -2.24 0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1t3v s PHE 27 CO 0.01 -0.80 1.34 0.00 -0.10 0.00 0.00 175.22 175.66 1t3v s ALA 28 N 1.28 2.74 -0.81 5.36 0.00 -0.28 -1.72 121.76 128.33 1t3v s ALA 28 Ca -0.03 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.01 1t3v s ALA 28 Cb -0.20 -4.35 0.06 0.00 0.00 0.00 0.00 23.12 18.63 1t3v s ALA 28 CO -0.00 -3.40 1.22 -0.06 0.00 0.00 0.00 175.76 173.51 1t3v s PHE 29 N 5.47 2.55 0.80 0.00 0.08 0.28 -0.50 117.98 126.65 1t3v s PHE 29 Ca 0.39 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 56.78 1t3v s PHE 29 Cb -0.05 -4.51 0.07 0.00 -0.57 0.00 0.00 43.02 37.95 1t3v s PHE 29 CO 0.06 -1.86 1.16 0.08 -0.10 0.00 0.00 175.22 174.57 1t3v s VAL 30 N 4.73 2.30 0.00 -0.44 1.01 0.51 -0.87 120.40 127.64 1t3v s VAL 30 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1t3v s VAL 30 Cb -0.08 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1t3v s VAL 30 CO 0.05 -0.13 0.00 0.29 0.00 0.00 0.00 175.10 175.31 1t3v n LYS 31 N -3.29 2.08 -3.75 2.72 5.02 -0.60 -0.12 118.16 120.23 1t3v n LYS 31 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1t3v n LYS 31 Cb 0.60 0.00 -0.12 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 -0.38 -0.03 -0.46 -0.18 0.11 -1.09 -4.39 120.40 113.98 1t3v s VAL 32 Ca 0.00 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.04 1t3v s VAL 32 Cb 0.00 -0.39 0.10 0.00 -1.53 0.00 0.00 36.38 34.56 1t3v s VAL 32 CO 0.00 0.04 0.34 -0.75 -3.33 0.00 0.00 175.10 171.40 1t3v s LYS 33 N 0.88 2.63 0.46 1.54 2.47 0.34 -4.51 119.74 123.55 1t3v s LYS 33 Ca -0.06 -1.62 0.00 0.00 -1.56 0.00 0.00 55.97 52.73 1t3v s LYS 33 Cb -0.07 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.35 1t3v s LYS 33 CO -0.06 -1.12 0.00 -1.71 0.16 0.00 0.00 175.35 172.62 1t3v n ASN 34 N 4.98 0.00 -2.11 1.43 5.15 -1.26 -0.67 115.26 122.79 1t3v n ASN 34 Ca -0.10 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 53.90 1t3v n ASN 34 Cb 0.42 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.70 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1t3v n ASN 35 N 1.29 1.26 -4.49 1.20 5.15 -1.26 -5.09 115.26 113.31 1t3v n ASN 35 Ca 0.00 -2.01 -0.23 0.00 -0.60 0.00 0.00 54.58 51.74 1t3v n ASN 35 Cb 0.00 -0.38 -0.11 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.73 2.55 0.44 5.20 0.00 0.16 -5.06 121.76 123.32 1t3v s ALA 36 Ca 0.31 -2.12 0.32 0.00 0.00 0.00 0.00 51.96 50.47 1t3v s ALA 36 Cb 0.36 0.54 1.69 0.00 0.00 0.00 0.00 23.12 25.71 1t3v s ALA 36 CO -0.11 -0.26 2.14 0.82 0.00 0.00 0.00 175.76 178.35 1t3v h ILE 37 N 2.04 0.36 0.00 0.00 5.03 -1.84 0.99 117.51 124.09 1t3v h ILE 37 Ca -0.41 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 63.96 1t3v h ILE 37 Cb 1.24 1.26 0.00 0.00 -3.03 0.00 0.00 36.82 36.29 1t3v h ILE 37 CO 0.72 0.06 0.00 0.00 -0.68 0.00 0.00 178.15 178.25 1t3v n ALA 38 N -2.21 0.00 -3.60 1.87 0.00 -1.26 -3.15 120.51 112.16 1t3v n ALA 38 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1t3v n ALA 38 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.40 -0.17 0.00 2.15 -1.26 -4.95 116.67 112.04 1t3v s ASP 39 Ca 0.00 0.57 -0.02 0.00 0.43 0.00 0.00 52.55 53.53 1t3v s ASP 39 Cb 0.00 0.51 -0.02 0.00 -0.30 0.00 0.00 42.92 43.12 1t3v s ASP 39 CO 0.00 -0.28 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.02 1t3v s ILE 40 N -0.63 3.40 -0.70 4.11 -1.09 -1.26 -1.56 121.20 123.48 1t3v s ILE 40 Ca -0.00 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 57.95 1t3v s ILE 40 Cb -0.02 -2.49 0.17 0.00 -1.58 0.00 0.00 42.46 38.54 1t3v s ILE 40 CO -0.01 0.48 0.49 -0.55 -1.23 0.00 0.00 174.94 174.12 1t3v s SER 41 N 0.74 4.76 -1.21 3.58 0.15 -0.05 -4.98 113.70 116.69 1t3v s SER 41 Ca -0.03 -3.83 -0.11 0.00 0.70 0.00 0.00 55.95 52.68 1t3v s SER 41 Cb -0.15 -1.62 0.20 0.00 -1.71 0.00 0.00 66.02 62.74 1t3v s SER 41 CO 0.02 -0.09 1.55 0.55 1.20 0.00 0.00 173.24 176.47 1t3v n VAL 42 N 2.01 4.43 -1.87 4.45 3.14 -1.26 -0.56 118.33 128.67 1t3v n VAL 42 Ca 0.19 -4.82 -0.31 0.00 -2.96 0.00 0.00 64.34 56.45 1t3v n VAL 42 Cb 0.35 -2.41 0.01 0.00 -1.06 0.00 0.00 33.84 30.74 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 0.40 3.53 0.83 1.45 0.41 -0.70 -4.91 118.70 119.72 1t3v s GLU 43 Ca 0.39 0.72 -0.14 0.00 -0.41 0.00 0.00 54.97 55.54 1t3v s GLU 43 Cb 0.01 -2.08 0.19 0.00 -1.78 0.00 0.00 34.13 30.48 1t3v s GLU 43 CO 0.00 -0.61 1.14 0.39 -0.49 0.00 0.00 175.26 175.69 1t3v n GLU 44 N -2.77 -1.07 -3.34 1.61 1.02 -1.26 -1.45 120.64 113.37 1t3v n GLU 44 Ca 0.06 -1.80 -0.46 0.00 -0.02 0.00 0.00 57.16 54.94 1t3v n GLU 44 Cb 0.54 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.80 1t3v n GLU 44 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1t3v s ASN 45 N -5.17 6.99 0.56 1.62 4.22 -1.25 -4.30 114.94 117.61 1t3v s ASN 45 Ca 0.65 -3.12 0.29 0.00 -2.14 0.00 0.00 52.86 48.54 1t3v s ASN 45 Cb -0.02 -2.20 1.64 0.00 1.28 0.00 0.00 41.25 41.95 1t3v s ASN 45 CO 0.45 -0.44 2.16 1.55 -2.04 0.00 0.00 177.10 178.79 1t3v h PRO 46 N 7.24 0.00 -1.99 3.55 0.13 -1.95 -1.39 132.00 137.59 1t3v h PRO 46 Ca 0.14 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.68 1t3v h PRO 46 Cb 0.96 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.67 1t3v h PRO 46 CO 0.87 0.06 -0.68 -0.11 -0.23 0.00 0.00 178.00 177.91 1t3v n LEU 47 N -3.70 4.54 0.00 1.56 -0.00 -1.26 -4.52 117.00 113.61 1t3v n LEU 47 Ca -0.02 -5.50 -0.11 0.00 -0.00 0.00 0.00 56.01 50.38 1t3v n LEU 47 Cb 0.17 -0.51 -0.05 0.00 -0.00 0.00 0.00 43.42 43.03 1t3v n LEU 47 CO 0.29 2.31 0.88 0.00 -0.00 0.00 0.00 177.39 180.87 1t3v h ALA 48 N 2.83 0.09 0.00 1.96 0.00 -1.55 -3.42 119.26 119.18 1t3v h ALA 48 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1t3v h ALA 48 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1t3v h ALA 48 CO 0.83 -0.44 0.00 1.04 0.00 0.00 0.00 179.25 180.68 1t3v n GLN 49 N -5.08 0.00 -1.54 0.00 6.02 -1.26 -4.80 117.38 110.73 1t3v n GLN 49 Ca -0.05 -0.21 -0.32 0.00 -0.01 0.00 0.00 57.00 56.40 1t3v n GLN 49 Cb 0.05 -0.36 -0.08 0.00 1.02 0.00 0.00 30.24 30.87 1t3v n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1t3v n ASP 50 N 0.00 1.43 -1.99 1.08 -0.08 -1.26 -0.51 116.55 115.22 1t3v n ASP 50 Ca 0.00 -0.51 -0.02 0.00 -1.51 0.00 0.00 54.79 52.76 1t3v n ASP 50 Cb 0.40 -1.35 -0.00 0.00 2.34 0.00 0.00 41.12 42.50 1t3v n ASP 50 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1t3v n HIS 51 N 14.26 -1.56 -3.84 -0.67 -0.00 -1.26 -2.16 115.22 119.99 1t3v n HIS 51 Ca 0.48 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 58.40 1t3v n HIS 51 Cb 0.37 -1.25 -0.03 0.00 -0.12 0.00 0.00 29.99 28.97 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 -2.11 -1.20 -4.29 3.57 0.24 0.33 -4.94 118.33 109.93 1t3v n VAL 52 Ca -0.02 -0.36 -0.19 0.00 -2.04 0.00 0.00 64.34 61.73 1t3v n VAL 52 Cb 0.36 -1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 31.63 1t3v n VAL 52 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1t3v n HIS 53 N -3.52 0.32 -2.15 6.34 -0.00 -0.92 -5.04 115.22 110.25 1t3v n HIS 53 Ca -0.14 -1.53 -0.42 0.00 -0.00 0.00 0.00 57.72 55.62 1t3v n HIS 53 Cb 0.41 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1t3v n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1t3v n GLY 54 N 1.15 4.25 0.00 1.57 0.00 -1.26 -4.49 105.19 106.40 1t3v n GLY 54 Ca -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1t3v n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3v n ALA 55 N 5.52 0.36 -0.17 4.61 0.00 -1.26 -4.77 120.51 124.79 1t3v n ALA 55 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 1t3v n ALA 55 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 0.16 0.00 0.00 2.07 -1.84 -0.25 116.25 116.38 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 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 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 -0.23 0.00 -0.07 1.57 0.14 -1.97 -2.94 132.00 128.51 1t3v h PRO 57 Ca 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.32 1t3v h PRO 57 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.69 1t3v h PRO 57 CO -0.63 0.00 -0.01 -0.97 0.14 0.00 0.00 178.00 176.53 1t3v h ASN 58 N 0.00 0.13 0.12 1.44 -0.73 -1.37 -1.81 115.58 113.35 1t3v h ASN 58 Ca 0.00 -0.33 -0.00 0.00 1.87 0.00 0.00 56.30 57.84 1t3v h ASN 58 Cb 0.82 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 1t3v h ASN 58 CO 0.00 0.43 -0.21 0.15 -0.37 0.00 0.00 177.43 177.43 1t3v h PHE 59 N -0.18 -0.58 0.00 0.67 3.57 -1.34 -2.12 116.94 116.96 1t3v h PHE 59 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1t3v h PHE 59 Cb 0.37 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1t3v h PHE 59 CO 0.04 -0.25 0.00 -0.39 -2.23 0.00 0.00 178.31 175.48 1t3v h VAL 60 N -0.35 0.00 -0.01 1.41 -1.51 -1.56 0.16 116.25 114.40 1t3v h VAL 60 Ca -0.01 -0.18 -0.18 0.00 -1.23 0.00 0.00 66.70 65.10 1t3v h VAL 60 Cb 0.32 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1t3v h VAL 60 CO -0.07 0.00 -0.79 0.50 -1.23 0.00 0.00 177.57 175.98 1t3v h LYS 61 N 0.00 0.14 0.00 5.19 3.11 -1.16 -2.92 116.57 120.93 1t3v h LYS 61 Ca 0.00 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 57.67 1t3v h LYS 61 Cb 0.21 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1t3v h LYS 61 CO 0.00 0.85 -0.15 1.05 -2.81 0.00 0.00 179.45 178.40 1t3v h GLU 62 N 0.09 0.00 -1.71 1.90 4.11 0.01 -3.15 114.58 115.82 1t3v h GLU 62 Ca -0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.32 1t3v h GLU 62 Cb 1.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1t3v h GLU 62 CO 0.11 0.15 0.10 1.63 0.07 0.00 0.00 179.01 181.07 1t3v n LYS 63 N -3.85 1.20 -2.67 1.06 4.76 -1.02 -4.84 118.16 112.80 1t3v n LYS 63 Ca -0.02 -0.40 -0.04 0.00 -2.87 0.00 0.00 58.31 54.98 1t3v n LYS 63 Cb 0.24 -1.16 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.03 -0.49 3.73 0.72 0.00 -1.19 -4.89 105.19 104.10 1t3v n GLY 64 Ca 0.08 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.13 1.34 0.00 4.61 0.00 -1.26 -4.80 121.76 119.51 1t3v s ALA 65 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1t3v s ALA 65 Cb -0.04 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1t3v s ALA 65 CO 0.09 -2.93 0.00 0.39 0.00 0.00 0.00 175.76 173.31 1t3v n GLU 66 N -4.22 0.00 -4.19 0.00 1.02 -1.19 -4.85 120.64 107.21 1t3v n GLU 66 Ca 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 1t3v n GLU 66 Cb 0.59 -0.46 -0.11 0.00 -0.02 0.00 0.00 31.44 31.44 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 -2.58 2.39 -0.11 -4.62 1.98 0.06 -1.22 118.68 114.59 1t3v s LEU 67 Ca 0.00 -0.80 -0.11 0.00 -2.89 0.00 0.00 54.13 50.33 1t3v s LEU 67 Cb 0.00 -0.38 0.03 0.00 0.66 0.00 0.00 46.19 46.50 1t3v s LEU 67 CO 0.00 -0.22 0.31 -0.69 -1.89 0.00 0.00 176.35 173.86 1t3v s VAL 68 N -2.28 0.01 -0.22 1.68 1.01 -0.69 -1.55 120.40 118.35 1t3v s VAL 68 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1t3v s VAL 68 Cb -0.04 -0.46 0.06 0.00 0.00 0.00 0.00 36.38 35.94 1t3v s VAL 68 CO 0.01 -0.03 -0.06 -0.63 0.00 0.00 0.00 175.10 174.39 1t3v s ILE 69 N 0.02 1.48 0.27 2.22 1.01 0.44 -0.63 121.20 126.01 1t3v s ILE 69 Ca -0.01 -1.13 0.06 0.00 0.00 0.00 0.00 60.65 59.57 1t3v s ILE 69 Cb -0.03 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 1t3v s ILE 69 CO 0.01 -0.05 -0.05 0.68 0.00 0.00 0.00 174.94 175.52 1t3v s VAL 70 N 1.43 1.55 0.00 2.92 -7.23 0.27 -4.24 120.40 115.10 1t3v s VAL 70 Ca -0.05 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1t3v s VAL 70 Cb -0.18 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1t3v s VAL 70 CO -0.07 -0.31 0.00 -1.14 -0.31 0.00 0.00 175.10 173.27 1t3v n ARG 71 N -0.55 0.00 -2.93 4.82 0.63 -1.26 -1.16 116.66 116.21 1t3v n ARG 71 Ca -0.05 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.48 1t3v n ARG 71 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 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 4.05 5.48 3.35 5.14 0.00 0.75 -1.38 105.19 122.58 1t3v n GLY 72 Ca 0.00 -2.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.07 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 0.72 0.00 -4.19 -0.61 3.06 -1.26 -4.22 119.36 112.86 1t3v n ILE 73 Ca 0.33 -0.34 -0.16 0.00 -2.50 0.00 0.00 62.75 60.09 1t3v n ILE 73 Cb 0.32 -0.90 -0.11 0.00 0.54 0.00 0.00 39.64 39.49 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 -2.40 0.91 0.41 4.50 0.00 -1.26 -4.93 107.32 104.54 1t3v s GLY 74 Ca 0.65 -1.18 0.17 0.00 0.00 0.00 0.00 44.72 44.35 1t3v s GLY 74 CO 0.62 -1.24 1.84 -0.09 0.00 0.00 0.00 173.10 174.23 1t3v h ARG 75 N 3.68 0.42 -0.08 2.90 9.65 -2.00 -1.01 114.38 127.95 1t3v h ARG 75 Ca -0.38 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.49 1t3v h ARG 75 Cb 1.19 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1t3v h ARG 75 CO 0.50 0.28 0.06 -0.09 2.80 0.00 0.00 179.97 183.52 1t3v h ARG 76 N 0.44 0.00 0.04 0.20 2.43 -2.00 -1.49 114.38 113.99 1t3v h ARG 76 Ca 0.49 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.41 1t3v h ARG 76 Cb 1.20 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1t3v h ARG 76 CO -0.21 0.00 -1.28 0.00 -1.51 0.00 0.00 179.97 176.97 1t3v h ALA 77 N 1.95 0.40 -0.27 2.80 0.00 -1.61 -3.28 119.26 119.24 1t3v h ALA 77 Ca 0.04 -1.07 0.05 0.00 0.00 0.00 0.00 54.91 53.94 1t3v h ALA 77 Cb 0.17 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1t3v h ALA 77 CO -0.00 1.27 -0.08 0.82 0.00 0.00 0.00 179.25 181.26 1t3v h ILE 78 N 0.02 0.71 -0.56 0.00 1.08 -1.35 -2.11 117.51 115.30 1t3v h ILE 78 Ca -0.13 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.50 1t3v h ILE 78 Cb 1.89 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 1t3v h ILE 78 CO 0.13 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 178.13 1t3v h ALA 79 N 1.25 2.34 0.03 1.87 0.00 -1.51 -0.39 119.26 122.86 1t3v h ALA 79 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t3v h ALA 79 Cb 0.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1t3v h ALA 79 CO -0.28 -0.83 -0.01 0.00 0.00 0.00 0.00 179.25 178.13 1t3v h ALA 80 N 1.45 -0.04 -0.62 0.00 0.00 -1.46 -3.19 119.26 115.41 1t3v h ALA 80 Ca 0.27 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1t3v h ALA 80 Cb 1.34 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1t3v h ALA 80 CO -0.00 -0.10 0.41 0.74 0.00 0.00 0.00 179.25 180.29 1t3v h PHE 81 N -0.87 0.67 0.00 0.00 0.04 -1.30 0.02 116.94 115.49 1t3v h PHE 81 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1t3v h PHE 81 Cb 0.73 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1t3v h PHE 81 CO 0.19 0.38 0.00 0.39 -0.60 0.00 0.00 178.31 178.67 1t3v n GLU 82 N -4.47 0.06 0.11 1.51 1.02 -0.23 -1.08 120.64 117.56 1t3v n GLU 82 Ca 0.08 0.29 0.01 0.00 -0.02 0.00 0.00 57.16 57.52 1t3v n GLU 82 Cb 0.17 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1t3v n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t3v h ALA 83 N 2.32 0.65 -0.01 0.62 0.00 -0.96 -3.39 119.26 118.48 1t3v h ALA 83 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1t3v h ALA 83 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1t3v h ALA 83 CO 0.00 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1t3v n MET 84 N -3.14 -0.07 -2.29 0.00 0.00 -0.24 -4.99 117.12 106.39 1t3v n MET 84 Ca -0.01 -0.79 -0.16 0.00 0.00 0.00 0.00 57.70 56.74 1t3v n MET 84 Cb 0.77 -1.04 -0.01 0.00 0.00 0.00 0.00 33.22 32.94 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 0.04 -0.26 3.67 3.17 0.00 -0.45 -4.97 105.19 106.39 1t3v n GLY 85 Ca 0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1t3v n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3v s VAL 86 N -2.79 4.68 0.39 1.61 1.01 -0.53 -4.95 120.40 119.82 1t3v s VAL 86 Ca 0.00 2.01 -0.24 0.00 0.00 0.00 0.00 61.98 63.75 1t3v s VAL 86 Cb 0.00 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1t3v s VAL 86 CO 0.00 -0.13 1.00 -0.75 0.00 0.00 0.00 175.10 175.22 1t3v s LYS 87 N 2.90 4.28 -0.34 2.72 2.20 -0.36 -4.47 119.74 126.67 1t3v s LYS 87 Ca 0.46 1.38 -0.01 0.00 -0.36 0.00 0.00 55.97 57.43 1t3v s LYS 87 Cb -0.16 -2.52 0.13 0.00 -1.51 0.00 0.00 37.83 33.76 1t3v s LYS 87 CO 0.10 -0.02 0.19 0.54 -0.36 0.00 0.00 175.35 175.80 1t3v s VAL 88 N -1.76 0.23 -0.03 4.02 0.11 -1.26 -1.71 120.40 119.99 1t3v s VAL 88 Ca 0.57 -1.52 -0.30 0.00 -2.93 0.00 0.00 61.98 57.80 1t3v s VAL 88 Cb -0.18 -1.18 -0.05 0.00 -1.53 0.00 0.00 36.38 33.44 1t3v s VAL 88 CO 0.23 -0.90 1.35 -0.63 -3.33 0.00 0.00 175.10 171.83 1t3v s ILE 89 N 1.30 3.89 0.37 7.04 1.01 0.19 -4.84 121.20 130.16 1t3v s ILE 89 Ca 0.15 1.23 0.08 0.00 0.00 0.00 0.00 60.65 62.12 1t3v s ILE 89 Cb -0.21 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1t3v s ILE 89 CO -0.10 -0.02 -0.05 -0.54 0.00 0.00 0.00 174.94 174.23 1t3v s LYS 90 N 2.55 1.87 -1.02 2.79 1.02 -1.26 -0.57 119.74 125.12 1t3v s LYS 90 Ca 0.62 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1t3v s LYS 90 Cb -0.29 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1t3v s LYS 90 CO 0.24 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 1t3v n GLY 91 N -0.86 1.10 3.68 -3.33 0.00 -0.48 -4.81 105.19 100.49 1t3v n GLY 91 Ca -0.05 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.28 0.96 -0.12 4.61 0.00 -0.31 -4.93 121.76 119.70 1t3v s ALA 92 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1t3v s ALA 92 Cb 0.00 -3.09 0.08 0.00 0.00 0.00 0.00 23.12 20.11 1t3v s ALA 92 CO 0.00 -2.87 0.76 0.45 0.00 0.00 0.00 175.76 174.10 1t3v s SER 93 N -3.54 -0.61 0.00 0.00 0.15 -1.26 -4.37 113.70 104.07 1t3v s SER 93 Ca 0.66 0.79 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1t3v s SER 93 Cb -0.18 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1t3v s SER 93 CO 0.57 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1t3v n GLY 94 N 1.22 0.63 3.88 9.45 0.00 -1.26 -4.72 105.19 114.39 1t3v n GLY 94 Ca -0.16 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.86 3.83 0.12 2.61 -4.23 -1.26 -1.19 115.64 114.66 1t3v s THR 95 Ca 0.00 0.60 -0.22 0.00 -1.18 0.00 0.00 61.69 60.88 1t3v s THR 95 Cb 0.00 -3.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.20 1t3v s THR 95 CO 0.00 -0.78 1.69 0.58 -0.54 0.00 0.00 174.62 175.57 1t3v h VAL 96 N -0.57 0.70 -0.90 2.29 2.07 -1.03 0.22 116.25 119.04 1t3v h VAL 96 Ca -0.45 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1t3v h VAL 96 Cb 1.24 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1t3v h VAL 96 CO 0.63 0.00 0.58 1.05 0.02 0.00 0.00 177.57 179.85 1t3v h GLU 97 N -0.15 0.94 0.06 1.57 4.11 -1.77 -0.72 114.58 118.62 1t3v h GLU 97 Ca 0.07 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1t3v h GLU 97 Cb 0.24 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1t3v h GLU 97 CO -0.16 0.62 -0.03 1.49 0.07 0.00 0.00 179.01 181.00 1t3v h GLU 98 N 0.97 -0.08 -0.51 1.06 4.81 -1.74 -2.56 114.58 116.53 1t3v h GLU 98 Ca 0.40 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.71 1t3v h GLU 98 Cb 0.29 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 1t3v h GLU 98 CO -0.16 0.41 0.15 0.28 -0.73 0.00 0.00 179.01 178.96 1t3v h VAL 99 N -0.96 0.79 0.01 0.32 2.07 -0.85 0.12 116.25 117.75 1t3v h VAL 99 Ca -0.01 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1t3v h VAL 99 Cb 0.52 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1t3v h VAL 99 CO 0.01 0.06 -0.10 0.58 0.02 0.00 0.00 177.57 178.14 1t3v h VAL 100 N 0.31 0.76 -0.80 2.57 2.07 -1.24 -2.43 116.25 117.49 1t3v h VAL 100 Ca 0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1t3v h VAL 100 Cb 0.29 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1t3v h VAL 100 CO -0.28 0.00 0.47 -1.13 0.02 0.00 0.00 177.57 176.65 1t3v h ASN 101 N -0.17 0.72 -0.97 0.57 -1.24 -0.76 -1.30 115.58 112.43 1t3v h ASN 101 Ca 0.03 0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.17 1t3v h ASN 101 Cb 0.21 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.07 1t3v h ASN 101 CO -0.09 0.45 0.62 1.56 -1.29 0.00 0.00 177.43 178.68 1t3v h GLN 102 N 0.85 0.99 -0.05 6.67 4.20 -0.37 0.32 115.11 127.72 1t3v h GLN 102 Ca 0.36 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 1t3v h GLN 102 Cb 0.21 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1t3v h GLN 102 CO -0.19 0.66 -0.38 -0.92 -0.67 0.00 0.00 178.83 177.33 1t3v h TYR 103 N 1.02 0.47 -0.66 2.96 3.20 -0.94 0.79 116.97 123.81 1t3v h TYR 103 Ca 0.45 -0.22 0.08 0.00 3.14 0.00 0.00 58.73 62.18 1t3v h TYR 103 Cb 0.37 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1t3v h TYR 103 CO -0.00 0.99 0.44 -0.07 -1.64 0.00 0.00 178.16 177.87 1t3v h LEU 104 N -0.18 0.52 -0.65 2.82 4.07 -0.82 -0.99 115.31 120.08 1t3v h LEU 104 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1t3v h LEU 104 Cb 1.05 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1t3v h LEU 104 CO 0.08 0.33 0.00 -1.20 -1.08 0.00 0.00 178.44 176.56 1t3v n SER 105 N -4.48 1.00 -0.42 -0.43 7.64 0.06 -4.93 113.62 112.07 1t3v n SER 105 Ca 0.10 -1.43 -0.05 0.00 1.01 0.00 0.00 58.87 58.49 1t3v n SER 105 Cb 0.29 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 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 1.07 0.67 0.17 0.23 0.00 -0.38 -4.86 105.19 102.09 1t3v n GLY 106 Ca 0.19 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 0.20 0.49 -7.30 1.61 1.08 -1.10 -3.45 115.11 106.64 1t3v h GLN 107 Ca -0.11 -0.47 -0.50 0.00 -1.45 0.00 0.00 58.65 56.11 1t3v h GLN 107 Cb 0.76 0.12 0.15 0.00 -0.05 0.00 0.00 27.48 28.47 1t3v h GLN 107 CO 0.16 1.11 0.26 -0.51 -0.95 0.00 0.00 178.83 178.90 1t3v s LEU 108 N -7.92 2.64 0.43 1.46 1.43 -0.95 -5.00 118.68 110.78 1t3v s LEU 108 Ca -0.07 1.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 1t3v s LEU 108 Cb 0.09 -4.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 1t3v s LEU 108 CO 0.87 -2.57 0.14 -0.75 0.23 0.00 0.00 176.35 174.26 1t3v s LYS 109 N -4.83 2.01 -0.46 1.70 2.47 -1.26 -4.93 119.74 114.44 1t3v s LYS 109 Ca 0.63 -2.25 0.07 0.00 -1.56 0.00 0.00 55.97 52.86 1t3v s LYS 109 Cb -0.19 -0.63 0.24 0.00 -1.46 0.00 0.00 37.83 35.80 1t3v s LYS 109 CO 0.57 -0.53 0.78 -0.40 0.16 0.00 0.00 175.35 175.93 1t3v n ASP 110 N -1.45 -1.91 -4.48 1.43 5.75 -1.26 -4.40 116.55 110.24 1t3v n ASP 110 Ca -0.07 -3.12 -0.33 0.00 -0.01 0.00 0.00 54.79 51.26 1t3v n ASP 110 Cb 0.65 1.04 0.13 0.00 -1.03 0.00 0.00 41.12 41.91 1t3v n ASP 110 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1t3v n SER 111 N 1.55 -1.49 -3.88 -1.12 3.41 -1.26 -5.04 113.62 105.78 1t3v n SER 111 Ca 0.13 0.36 -0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1t3v n SER 111 Cb 0.60 -1.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.16 1t3v n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t3v s ASP 112 N -2.13 0.02 0.13 4.04 -1.08 -1.26 -4.88 116.67 111.51 1t3v s ASP 112 Ca 0.59 -0.10 -0.06 0.00 -0.52 0.00 0.00 52.55 52.47 1t3v s ASP 112 Cb -0.22 0.18 -0.02 0.00 -1.46 0.00 0.00 42.92 41.40 1t3v s ASP 112 CO 0.65 -0.21 0.17 -0.47 0.52 0.00 0.00 175.17 175.82 1t3v s TYR 113 N -0.78 0.48 -0.91 -5.34 5.04 -1.26 -5.06 117.35 109.51 1t3v s TYR 113 Ca -0.09 -0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 53.37 1t3v s TYR 113 Cb -0.05 -0.21 -0.20 0.00 0.35 0.00 0.00 41.96 41.85 1t3v s TYR 113 CO 0.00 -0.59 2.62 0.39 -1.34 0.00 0.00 175.55 176.63 1t3v n GLU 114 N -0.11 0.18 -1.46 4.97 -0.58 -1.26 -4.81 120.64 117.57 1t3v n GLU 114 Ca -0.09 -0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.27 1t3v n GLU 114 Cb 0.63 -1.82 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 1t3v n GLU 114 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1t3v n VAL 115 N 7.48 4.41 -1.23 2.62 0.31 -1.26 -4.91 118.33 125.74 1t3v n VAL 115 Ca 0.61 -2.94 -0.30 0.00 -0.01 0.00 0.00 64.34 61.70 1t3v n VAL 115 Cb 0.13 -2.40 0.13 0.00 -0.91 0.00 0.00 33.84 30.79 1t3v n VAL 115 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1t3v s HIS 116 N 1.12 2.39 -0.71 3.52 5.04 -1.26 -4.77 115.29 120.62 1t3v s HIS 116 Ca 0.65 1.30 -0.19 0.00 -1.54 0.00 0.00 55.06 55.28 1t3v s HIS 116 Cb 0.20 -3.14 -0.17 0.00 0.04 0.00 0.00 32.58 29.51 1t3v s HIS 116 CO -0.07 -2.25 1.84 -0.25 -2.34 0.00 0.00 174.74 171.67 1t3v n ASP 117 N -3.79 0.00 -4.82 9.88 8.00 -1.26 -4.93 116.55 119.63 1t3v n ASP 117 Ca 0.07 0.04 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 1t3v n ASP 117 Cb 0.55 -0.61 0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1t3v n ASP 117 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1t3v s HIS 118 N 5.33 3.10 0.00 1.24 -3.43 -1.26 -5.10 115.29 115.17 1t3v s HIS 118 Ca 0.96 1.43 -0.08 0.00 -0.80 0.00 0.00 55.06 56.57 1t3v s HIS 118 Cb -0.84 -2.89 0.00 0.00 -1.43 0.00 0.00 32.58 27.42 1t3v s HIS 118 CO 0.36 -1.23 0.15 -3.38 -2.00 0.00 0.00 174.74 168.63 1t3v s HIS 119 N -3.01 0.03 -0.24 0.38 -3.43 -1.26 -5.14 115.29 102.61 1t3v s HIS 119 Ca 0.58 -0.11 -0.13 0.00 -0.80 0.00 0.00 55.06 54.60 1t3v s HIS 119 Cb -0.14 -0.04 0.07 0.00 -1.43 0.00 0.00 32.58 31.04 1t3v s HIS 119 CO 0.54 -0.29 0.59 -3.38 -2.00 0.00 0.00 174.74 170.19 1t3v s HIS 120 N -1.38 -0.91 0.27 0.38 -3.43 -1.26 -4.89 115.29 104.07 1t3v s HIS 120 Ca -0.15 1.83 0.01 0.00 -0.80 0.00 0.00 55.06 55.95 1t3v s HIS 120 Cb -0.07 0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1t3v s HIS 120 CO 0.02 -0.47 0.34 -2.39 -2.00 0.00 0.00 174.74 170.24 1t3v n HIS 121 N 4.34 -1.07 -3.38 0.38 1.44 -1.26 -5.05 115.22 110.61 1t3v n HIS 121 Ca -0.21 -1.93 -0.14 0.00 -2.01 0.00 0.00 57.72 53.43 1t3v n HIS 121 Cb 0.57 0.38 0.00 0.00 0.12 0.00 0.00 29.99 31.07 1t3v n HIS 121 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1t3v n GLU 122 N -0.46 -1.55 -3.77 -1.40 0.00 -1.26 -5.04 120.64 107.15 1t3v n GLU 122 Ca 0.02 1.24 -0.06 0.00 0.00 0.00 0.00 57.16 58.36 1t3v n GLU 122 Cb 0.46 -4.03 -0.02 0.00 0.00 0.00 0.00 31.44 27.86 1t3v n GLU 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1t3v s HIS 123 N -2.84 -0.21 -0.26 4.31 2.46 -1.26 -5.27 115.29 112.23 1t3v s HIS 123 Ca 0.05 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.41 1t3v s HIS 123 Cb -0.01 0.67 0.00 0.00 -0.13 0.00 0.00 32.58 33.11 1t3v s HIS 123 CO 0.82 -1.04 0.06 1.58 -2.47 0.00 0.00 174.74 173.69