#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 0.31 -0.23 1.12 1.01 -1.26 -3.38 121.20 118.77 1t3v s ILE 2 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1t3v s ILE 2 Cb 0.00 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.18 1t3v s ILE 2 CO 0.00 -0.21 -0.07 -0.63 0.00 0.00 0.00 174.94 174.03 1t3v s ILE 3 N -0.81 1.65 0.31 2.92 1.01 0.75 -0.64 121.20 126.39 1t3v s ILE 3 Ca -0.06 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.17 1t3v s ILE 3 Cb -0.06 -1.84 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 1t3v s ILE 3 CO -0.00 -0.02 0.80 0.00 0.00 0.00 0.00 174.94 175.71 1t3v s ALA 4 N 1.35 3.28 -0.14 9.38 0.00 -0.18 -0.92 121.76 134.54 1t3v s ALA 4 Ca -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 1t3v s ALA 4 Cb -0.18 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1t3v s ALA 4 CO -0.06 0.28 0.12 0.42 0.00 0.00 0.00 175.76 176.51 1t3v s ILE 5 N -1.84 -0.17 -0.34 0.00 1.01 -0.46 -0.32 121.20 119.07 1t3v s ILE 5 Ca 0.52 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.94 1t3v s ILE 5 Cb -0.13 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1t3v s ILE 5 CO 0.18 -0.10 1.71 -2.16 0.00 0.00 0.00 174.94 174.58 1t3v s PRO 6 N 2.21 3.40 0.02 2.79 0.04 -1.26 -0.48 135.00 141.72 1t3v s PRO 6 Ca 0.04 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1t3v s PRO 6 Cb -0.14 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.20 1t3v s PRO 6 CO -0.08 -1.78 0.03 0.14 0.04 0.00 0.00 177.00 175.35 1t3v s VAL 7 N 6.53 4.33 -0.08 -0.36 -7.23 -0.67 -0.51 120.40 122.40 1t3v s VAL 7 Ca 0.76 -0.63 0.22 0.00 -1.81 0.00 0.00 61.98 60.52 1t3v s VAL 7 Cb -0.21 -2.98 0.22 0.00 0.56 0.00 0.00 36.38 33.98 1t3v s VAL 7 CO 0.34 0.30 1.68 0.28 -0.31 0.00 0.00 175.10 177.39 1t3v h SER 8 N 4.03 0.00 -4.87 4.85 0.02 -1.11 -3.07 113.55 113.40 1t3v h SER 8 Ca -0.48 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.30 1t3v h SER 8 Cb 1.17 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.50 1t3v h SER 8 CO 0.60 0.23 -0.63 -1.61 -1.14 0.00 0.00 176.83 174.28 1t3v s GLU 9 N -3.35 0.34 -0.69 3.45 2.02 -1.26 -4.78 118.70 114.43 1t3v s GLU 9 Ca 0.03 -0.49 -0.24 0.00 0.02 0.00 0.00 54.97 54.29 1t3v s GLU 9 Cb 0.08 0.13 0.05 0.00 0.10 0.00 0.00 34.13 34.49 1t3v s GLU 9 CO 0.67 -0.07 1.10 1.21 0.02 0.00 0.00 175.26 178.19 1t3v s ASN 10 N -1.30 6.17 -0.24 -0.19 3.84 -1.26 -4.11 114.94 117.85 1t3v s ASN 10 Ca -0.14 -0.76 0.23 0.00 0.21 0.00 0.00 52.86 52.40 1t3v s ASN 10 Cb -0.08 -2.48 0.50 0.00 -0.55 0.00 0.00 41.25 38.63 1t3v s ASN 10 CO -0.00 -1.61 1.13 0.54 -2.79 0.00 0.00 177.10 174.37 1t3v n ARG 11 N 8.41 1.55 -1.87 0.43 1.74 -1.26 -4.95 116.66 120.70 1t3v n ARG 11 Ca -0.01 -3.26 -0.13 0.00 -0.77 0.00 0.00 57.85 53.68 1t3v n ARG 11 Cb 0.47 -1.36 0.01 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 -0.54 0.07 3.87 -0.13 0.00 -1.26 -1.30 105.19 105.90 1t3v n GLY 12 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1t3v n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t3v n LYS 13 N 0.01 0.00 0.00 1.61 2.85 -1.26 -4.73 118.16 116.64 1t3v n LYS 13 Ca -0.03 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.31 1t3v n LYS 13 Cb 0.24 -0.02 0.39 0.00 -0.65 0.00 0.00 35.03 34.99 1t3v n LYS 13 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t3v n ASP 14 N 0.95 0.00 -4.37 -5.58 8.00 -0.42 -1.93 116.55 113.19 1t3v n ASP 14 Ca 0.00 0.33 -0.53 0.00 0.71 0.00 0.00 54.79 55.31 1t3v n ASP 14 Cb 0.00 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.42 1.40 -4.72 -2.24 7.64 -1.21 -4.71 113.62 108.36 1t3v n SER 15 Ca 0.06 0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 1t3v n SER 15 Cb 0.18 -1.10 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 1t3v n SER 15 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1t3v s PRO 16 N 6.48 4.52 0.38 1.43 0.04 -1.26 -1.54 135.00 145.06 1t3v s PRO 16 Ca 1.16 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 63.56 1t3v s PRO 16 Cb -1.13 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 29.94 1t3v s PRO 16 CO 0.55 -0.09 1.43 -1.50 0.04 0.00 0.00 177.00 177.43 1t3v s ILE 17 N 0.67 2.22 0.24 0.56 2.07 -0.34 -0.61 121.20 126.00 1t3v s ILE 17 Ca 0.54 0.22 0.01 0.00 -1.41 0.00 0.00 60.65 60.00 1t3v s ILE 17 Cb -0.27 -3.13 0.04 0.00 0.13 0.00 0.00 42.46 39.23 1t3v s ILE 17 CO 0.30 0.05 0.32 -0.24 -1.91 0.00 0.00 174.94 173.46 1t3v n SER 18 N 0.37 0.54 -0.13 4.50 2.88 0.33 -4.60 113.62 117.51 1t3v n SER 18 Ca 0.02 -1.43 -0.20 0.00 -1.33 0.00 0.00 58.87 55.93 1t3v n SER 18 Cb 0.41 -0.20 -0.11 0.00 -0.75 0.00 0.00 64.21 63.56 1t3v n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t3v n GLU 19 N -1.58 0.60 -3.99 -1.46 4.71 -1.26 -4.27 120.64 113.39 1t3v n GLU 19 Ca 0.06 0.17 -0.31 0.00 -0.01 0.00 0.00 57.16 57.07 1t3v n GLU 19 Cb 0.20 -1.48 -0.15 0.00 -1.01 0.00 0.00 31.44 29.00 1t3v n GLU 19 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1t3v s HIS 20 N -2.49 3.20 0.30 -0.32 3.76 -1.26 -1.68 115.29 116.80 1t3v s HIS 20 Ca -0.34 -2.49 0.03 0.00 -0.15 0.00 0.00 55.06 52.11 1t3v s HIS 20 Cb 0.10 -2.31 0.75 0.00 1.11 0.00 0.00 32.58 32.23 1t3v s HIS 20 CO 0.54 -0.89 1.63 0.35 -0.85 0.00 0.00 174.74 175.52 1t3v h PHE 21 N 7.76 0.31 0.00 1.40 3.57 -1.90 -0.10 116.94 127.98 1t3v h PHE 21 Ca -0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1t3v h PHE 21 Cb 1.03 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1t3v h PHE 21 CO 0.51 -0.26 0.00 0.41 -2.23 0.00 0.00 178.31 176.74 1t3v n GLY 22 N -1.39 -0.71 2.41 2.40 0.00 -1.26 -3.43 105.19 103.22 1t3v n GLY 22 Ca 0.22 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1t3v n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1t3v n ARG 23 N -1.15 0.91 -4.22 1.61 0.63 -0.07 -0.92 116.66 113.44 1t3v n ARG 23 Ca 0.10 -2.73 -0.34 0.00 -0.92 0.00 0.00 57.85 53.96 1t3v n ARG 23 Cb 0.10 -1.40 -0.14 0.00 0.45 0.00 0.00 32.46 31.48 1t3v n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1t3v s ALA 24 N -1.04 2.79 0.14 5.13 0.00 -1.07 -4.62 121.76 123.10 1t3v s ALA 24 Ca 0.33 -1.03 0.25 0.00 0.00 0.00 0.00 51.96 51.50 1t3v s ALA 24 Cb 0.28 -1.55 0.96 0.00 0.00 0.00 0.00 23.12 22.82 1t3v s ALA 24 CO -0.10 -0.14 1.84 -1.00 0.00 0.00 0.00 175.76 176.36 1t3v h PRO 25 N 7.50 0.00 -3.22 0.00 0.13 -1.87 -3.34 132.00 131.21 1t3v h PRO 25 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1t3v h PRO 25 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1t3v h PRO 25 CO 0.60 0.21 -0.31 0.71 -0.23 0.00 0.00 178.00 178.97 1t3v s TYR 26 N -3.67 -0.11 -0.28 1.56 2.02 -1.16 -1.27 117.35 114.44 1t3v s TYR 26 Ca 0.00 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1t3v s TYR 26 Cb 0.10 0.06 0.08 0.00 -0.40 0.00 0.00 41.96 41.80 1t3v s TYR 26 CO 0.63 -0.41 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.11 1t3v s PHE 27 N -1.77 3.09 -1.25 2.71 0.08 -0.90 -1.67 117.98 118.27 1t3v s PHE 27 Ca -0.11 -2.35 -0.18 0.00 0.12 0.00 0.00 56.93 54.41 1t3v s PHE 27 Cb -0.04 -2.13 0.07 0.00 -0.57 0.00 0.00 43.02 40.35 1t3v s PHE 27 CO 0.01 -0.87 1.67 0.00 -0.10 0.00 0.00 175.22 175.93 1t3v s ALA 28 N 1.15 3.28 0.33 5.36 0.00 0.37 -2.40 121.76 129.86 1t3v s ALA 28 Ca -0.01 -2.86 -0.28 0.00 0.00 0.00 0.00 51.96 48.82 1t3v s ALA 28 Cb -0.19 -4.59 -0.10 0.00 0.00 0.00 0.00 23.12 18.24 1t3v s ALA 28 CO -0.08 -3.31 1.20 -0.06 0.00 0.00 0.00 175.76 173.52 1t3v s PHE 29 N 4.14 3.23 0.04 0.00 0.08 -0.80 -1.36 117.98 123.31 1t3v s PHE 29 Ca 0.52 1.55 0.01 0.00 0.12 0.00 0.00 56.93 59.13 1t3v s PHE 29 Cb 0.03 -3.47 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 1t3v s PHE 29 CO 0.05 -1.27 -0.06 0.08 -0.10 0.00 0.00 175.22 173.92 1t3v s VAL 30 N -1.22 0.39 0.00 -0.44 1.01 -0.10 -0.40 120.40 119.64 1t3v s VAL 30 Ca 0.50 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1t3v s VAL 30 Cb -0.35 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1t3v s VAL 30 CO 0.45 -0.45 0.00 0.29 0.00 0.00 0.00 175.10 175.39 1t3v n LYS 31 N 1.45 0.86 -3.54 2.72 5.02 -0.07 -0.18 118.16 124.42 1t3v n LYS 31 Ca -0.23 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 55.95 1t3v n LYS 31 Cb 0.55 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.45 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 0.67 -0.52 -0.95 -0.18 0.11 -1.16 -4.47 120.40 113.90 1t3v s VAL 32 Ca 0.00 0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 58.91 1t3v s VAL 32 Cb 0.00 -0.65 0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1t3v s VAL 32 CO 0.00 -0.01 1.35 -0.75 -3.33 0.00 0.00 175.10 172.36 1t3v s LYS 33 N 2.50 3.51 0.00 1.54 2.36 0.12 -4.72 119.74 125.05 1t3v s LYS 33 Ca 0.05 -1.07 0.00 0.00 -2.55 0.00 0.00 55.97 52.39 1t3v s LYS 33 Cb -0.14 -5.06 0.00 0.00 -1.05 0.00 0.00 37.83 31.58 1t3v s LYS 33 CO -0.12 -2.12 0.00 -1.71 1.55 0.00 0.00 175.35 172.95 1t3v n ASN 34 N 8.55 0.00 -0.13 1.43 2.85 -1.26 -0.98 115.26 125.72 1t3v n ASN 34 Ca 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1t3v n ASN 34 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1t3v n ASN 34 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1t3v n ASN 35 N 1.28 0.00 -4.70 1.20 5.15 -1.26 -5.13 115.26 111.80 1t3v n ASN 35 Ca 0.00 -1.19 -0.29 0.00 -0.60 0.00 0.00 54.58 52.50 1t3v n ASN 35 Cb 0.00 -0.04 -0.09 0.00 -0.53 0.00 0.00 39.78 39.12 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 0.00 3.62 0.55 5.20 0.00 -0.15 -5.05 121.76 125.93 1t3v s ALA 36 Ca 0.00 -1.56 0.28 0.00 0.00 0.00 0.00 51.96 50.67 1t3v s ALA 36 Cb 0.00 -0.00 1.69 0.00 0.00 0.00 0.00 23.12 24.81 1t3v s ALA 36 CO 0.00 -0.11 2.21 0.82 0.00 0.00 0.00 175.76 178.68 1t3v h ILE 37 N 1.52 0.59 0.00 0.00 5.03 -1.84 0.34 117.51 123.16 1t3v h ILE 37 Ca -0.43 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.20 1t3v h ILE 37 Cb 1.27 1.07 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 1t3v h ILE 37 CO 0.76 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 178.25 1t3v n ALA 38 N -2.34 0.00 -3.77 1.87 0.00 -1.26 -2.98 120.51 112.02 1t3v n ALA 38 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1t3v n ALA 38 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.16 0.04 0.00 2.15 -1.26 -4.91 116.67 112.52 1t3v s ASP 39 Ca 0.00 -0.46 0.07 0.00 0.43 0.00 0.00 52.55 52.59 1t3v s ASP 39 Cb 0.00 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 1t3v s ASP 39 CO 0.00 -0.96 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.23 1t3v s ILE 40 N -3.23 2.81 -0.42 4.11 -1.09 -1.26 -0.89 121.20 121.23 1t3v s ILE 40 Ca 0.13 -1.18 0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1t3v s ILE 40 Cb -0.02 -2.19 0.26 0.00 -1.58 0.00 0.00 42.46 38.94 1t3v s ILE 40 CO 0.03 0.34 0.69 -1.20 -1.23 0.00 0.00 174.94 173.57 1t3v n SER 41 N 1.54 -0.86 -4.45 3.58 7.64 0.47 -4.97 113.62 116.56 1t3v n SER 41 Ca -0.16 -2.98 -0.44 0.00 1.01 0.00 0.00 58.87 56.31 1t3v n SER 41 Cb 0.52 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 1t3v n SER 41 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t3v s VAL 42 N -0.64 4.59 0.35 0.44 1.01 -1.26 -1.91 120.40 122.98 1t3v s VAL 42 Ca 0.34 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1t3v s VAL 42 Cb 0.21 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1t3v s VAL 42 CO -0.15 -1.49 0.52 -1.61 0.00 0.00 0.00 175.10 172.38 1t3v s GLU 43 N 3.15 3.31 0.51 2.72 0.41 -1.01 -4.93 118.70 122.86 1t3v s GLU 43 Ca 0.29 -0.58 -0.20 0.00 -0.41 0.00 0.00 54.97 54.06 1t3v s GLU 43 Cb -0.09 -2.72 -0.07 0.00 -1.78 0.00 0.00 34.13 29.47 1t3v s GLU 43 CO -0.03 0.10 1.10 -1.21 -0.49 0.00 0.00 175.26 174.73 1t3v s GLU 44 N -4.27 3.57 -0.02 1.61 2.02 -1.26 -2.11 118.70 118.24 1t3v s GLU 44 Ca 0.41 1.56 -0.29 0.00 0.02 0.00 0.00 54.97 56.67 1t3v s GLU 44 Cb -0.10 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1t3v s GLU 44 CO 0.34 -0.66 0.93 1.21 0.02 0.00 0.00 175.26 177.11 1t3v s ASN 45 N -1.77 7.30 0.39 -0.19 3.84 -0.40 -4.75 114.94 119.36 1t3v s ASN 45 Ca 0.69 1.58 0.18 0.00 0.21 0.00 0.00 52.86 55.52 1t3v s ASN 45 Cb -0.22 -2.54 0.78 0.00 -0.55 0.00 0.00 41.25 38.71 1t3v s ASN 45 CO 0.26 -0.24 1.80 1.55 -2.79 0.00 0.00 177.10 177.67 1t3v h PRO 46 N 6.81 0.00 -1.06 0.43 0.13 -1.92 -3.33 132.00 133.05 1t3v h PRO 46 Ca -0.41 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.23 1t3v h PRO 46 Cb 1.21 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.93 1t3v h PRO 46 CO 0.75 0.36 -0.89 1.28 -0.23 0.00 0.00 178.00 179.27 1t3v n LEU 47 N -3.72 3.76 0.10 1.56 7.99 -1.26 -4.78 117.00 120.65 1t3v n LEU 47 Ca -0.01 -4.51 -0.13 0.00 -0.01 0.00 0.00 56.01 51.35 1t3v n LEU 47 Cb 0.45 -0.14 -0.07 0.00 -0.11 0.00 0.00 43.42 43.56 1t3v n LEU 47 CO 0.37 1.92 0.80 0.00 -1.51 0.00 0.00 177.39 178.97 1t3v h ALA 48 N 2.54 -0.20 -0.84 -1.18 0.00 -1.68 -3.42 119.26 114.48 1t3v h ALA 48 Ca 0.19 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.72 1t3v h ALA 48 Cb 1.19 0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 1t3v h ALA 48 CO 0.67 -0.62 -0.73 1.04 0.00 0.00 0.00 179.25 179.61 1t3v n GLN 49 N -5.21 0.72 0.00 0.00 6.02 -1.26 -4.05 117.38 113.60 1t3v n GLN 49 Ca -0.07 -2.32 0.00 0.00 -0.01 0.00 0.00 57.00 54.59 1t3v n GLN 49 Cb 0.14 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 1.68 0.00 0.22 1.08 -0.08 -1.26 -4.94 116.55 113.25 1t3v n ASP 50 Ca 0.14 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.58 1t3v n ASP 50 Cb 0.59 0.00 0.80 0.00 2.34 0.00 0.00 41.12 44.85 1t3v n ASP 50 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1t3v h HIS 51 N 0.00 0.00 -5.30 -0.67 2.76 -1.87 -3.48 115.15 106.59 1t3v h HIS 51 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1t3v h HIS 51 Cb 0.00 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 1t3v h HIS 51 CO 0.00 0.00 -0.86 0.28 -1.30 0.00 0.00 177.93 176.05 1t3v n VAL 52 N -4.01 -7.86 0.00 5.26 0.31 -1.26 -4.24 118.33 106.53 1t3v n VAL 52 Ca 0.00 1.66 0.00 0.00 -0.01 0.00 0.00 64.34 65.99 1t3v n VAL 52 Cb 0.24 -4.71 0.00 0.00 -0.91 0.00 0.00 33.84 28.46 1t3v n VAL 52 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t3v n HIS 53 N 2.05 0.00 -1.45 3.52 -0.00 -0.10 -4.94 115.22 114.31 1t3v n HIS 53 Ca -0.20 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.18 1t3v n HIS 53 Cb 0.31 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.39 1t3v n HIS 53 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1t3v s GLY 54 N 0.00 2.28 0.00 1.57 0.00 -1.26 -3.95 107.32 105.96 1t3v s GLY 54 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1t3v s GLY 54 CO 0.00 1.20 0.00 0.00 0.00 0.00 0.00 173.10 174.30 1t3v n ALA 55 N -2.74 0.00 0.01 3.20 0.00 -1.26 -4.71 120.51 115.00 1t3v n ALA 55 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 1t3v n ALA 55 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 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 0.27 0.00 0.00 2.07 -1.87 -1.63 116.25 115.09 1t3v h VAL 56 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1t3v h VAL 56 Cb 0.00 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1t3v h VAL 56 CO 0.00 0.00 -0.12 1.55 0.02 0.00 0.00 177.57 179.02 1t3v h PRO 57 N -0.41 0.00 -0.45 1.57 0.14 -1.85 -2.89 132.00 128.10 1t3v h PRO 57 Ca 0.09 0.00 -0.08 0.00 0.14 0.00 0.00 66.00 66.15 1t3v h PRO 57 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 31.68 1t3v h PRO 57 CO -0.35 0.12 -0.06 -0.97 0.14 0.00 0.00 178.00 176.88 1t3v h ASN 58 N 0.00 0.76 0.79 1.44 -1.24 -1.68 0.20 115.58 115.84 1t3v h ASN 58 Ca -0.00 -0.20 -0.04 0.00 0.71 0.00 0.00 56.30 56.77 1t3v h ASN 58 Cb 0.52 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 39.38 1t3v h ASN 58 CO 0.02 0.86 -0.38 0.15 -1.29 0.00 0.00 177.43 176.79 1t3v h PHE 59 N 0.72 -0.99 0.00 0.67 3.57 -1.37 -2.96 116.94 116.58 1t3v h PHE 59 Ca 0.13 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1t3v h PHE 59 Cb 0.52 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1t3v h PHE 59 CO 0.03 -0.61 -0.21 -0.39 -2.23 0.00 0.00 178.31 174.89 1t3v h VAL 60 N -1.12 0.92 0.00 1.41 -1.51 -1.47 0.20 116.25 114.68 1t3v h VAL 60 Ca -0.11 -0.78 -0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1t3v h VAL 60 Cb 0.82 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1t3v h VAL 60 CO 0.18 0.21 -0.01 0.11 -1.23 0.00 0.00 177.57 176.83 1t3v h LYS 61 N 0.00 0.00 0.00 5.19 1.57 -0.65 -0.47 116.57 122.21 1t3v h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1t3v h LYS 61 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1t3v h LYS 61 CO 0.03 0.01 0.00 1.05 -0.57 0.00 0.00 179.45 179.96 1t3v h GLU 62 N 0.00 0.00 -1.18 3.15 4.11 -0.42 -3.39 114.58 116.85 1t3v h GLU 62 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1t3v h GLU 62 Cb 0.03 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.06 1t3v h GLU 62 CO 0.00 0.00 0.61 1.63 0.07 0.00 0.00 179.01 181.32 1t3v n LYS 63 N -2.88 2.17 -1.97 1.06 4.76 -0.19 -4.87 118.16 116.24 1t3v n LYS 63 Ca 0.03 -2.41 -0.07 0.00 -2.87 0.00 0.00 58.31 52.99 1t3v n LYS 63 Cb 0.44 -1.95 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 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 -0.44 -0.04 3.79 0.72 0.00 -1.26 -4.92 105.19 103.04 1t3v n GLY 64 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.06 1.76 0.00 4.61 0.00 -1.26 -4.68 121.76 120.12 1t3v s ALA 65 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1t3v s ALA 65 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1t3v s ALA 65 CO 0.00 -2.41 0.00 0.39 0.00 0.00 0.00 175.76 173.74 1t3v n GLU 66 N -3.85 0.59 -4.04 0.00 1.02 -1.01 -4.85 120.64 108.51 1t3v n GLU 66 Ca 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 1t3v n GLU 66 Cb 0.59 -0.40 -0.11 0.00 -0.02 0.00 0.00 31.44 31.51 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 -0.88 2.36 -0.03 -4.62 1.98 0.18 -1.39 118.68 116.28 1t3v s LEU 67 Ca 0.00 -0.74 -0.06 0.00 -2.89 0.00 0.00 54.13 50.45 1t3v s LEU 67 Cb 0.00 0.11 0.01 0.00 0.66 0.00 0.00 46.19 46.97 1t3v s LEU 67 CO 0.00 -0.42 0.14 -0.69 -1.89 0.00 0.00 176.35 173.48 1t3v s VAL 68 N -2.58 0.03 -0.13 1.68 1.01 -0.41 -1.01 120.40 118.99 1t3v s VAL 68 Ca -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1t3v s VAL 68 Cb -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1t3v s VAL 68 CO -0.05 -0.13 -0.01 -0.63 0.00 0.00 0.00 175.10 174.28 1t3v s ILE 69 N -0.42 0.65 0.31 2.22 1.01 0.56 -0.53 121.20 125.00 1t3v s ILE 69 Ca -0.05 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1t3v s ILE 69 Cb -0.03 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1t3v s ILE 69 CO 0.01 0.10 0.18 0.68 0.00 0.00 0.00 174.94 175.91 1t3v s VAL 70 N 1.84 0.25 0.00 2.92 -7.23 0.24 -4.17 120.40 114.24 1t3v s VAL 70 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1t3v s VAL 70 Cb -0.14 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1t3v s VAL 70 CO -0.07 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.58 1t3v n ARG 71 N -0.59 0.00 0.02 4.82 0.63 -1.26 -1.34 116.66 118.94 1t3v n ARG 71 Ca 0.02 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.90 1t3v n ARG 71 Cb 0.64 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.45 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 -1.62 -0.24 103.07 106.35 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 -3.05 0.00 -3.62 2.60 3.06 -1.24 -4.91 119.36 112.20 1t3v n ILE 73 Ca -0.11 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.10 1t3v n ILE 73 Cb 0.94 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 41.09 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 0.00 -0.14 0.25 4.50 0.00 -1.26 -4.80 107.32 105.88 1t3v s GLY 74 Ca 0.00 2.16 -0.05 0.00 0.00 0.00 0.00 44.72 46.82 1t3v s GLY 74 CO 0.00 0.83 1.92 -0.09 0.00 0.00 0.00 173.10 175.76 1t3v h ARG 75 N 2.09 1.29 -0.95 2.90 1.12 -2.00 0.47 114.38 119.31 1t3v h ARG 75 Ca -0.09 -0.08 0.16 0.00 -1.11 0.00 0.00 59.98 58.86 1t3v h ARG 75 Cb 1.17 -0.29 -0.08 0.00 -0.01 0.00 0.00 29.97 30.76 1t3v h ARG 75 CO 0.23 0.85 0.60 -0.09 -3.11 0.00 0.00 179.97 178.46 1t3v h ARG 76 N 1.33 0.73 0.14 0.20 9.65 -1.98 -1.49 114.38 122.95 1t3v h ARG 76 Ca 0.38 -0.04 -0.28 0.00 -1.10 0.00 0.00 59.98 58.94 1t3v h ARG 76 Cb -0.11 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.32 1t3v h ARG 76 CO -0.09 0.48 -1.25 0.00 2.80 0.00 0.00 179.97 181.90 1t3v h ALA 77 N 1.60 0.08 -0.64 2.80 0.00 -1.31 -2.87 119.26 118.91 1t3v h ALA 77 Ca 0.49 -0.88 0.14 0.00 0.00 0.00 0.00 54.91 54.66 1t3v h ALA 77 Cb 0.76 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1t3v h ALA 77 CO -0.26 0.94 0.00 0.82 0.00 0.00 0.00 179.25 180.76 1t3v h ILE 78 N 0.09 0.47 0.00 0.00 5.03 -0.97 -1.93 117.51 120.20 1t3v h ILE 78 Ca -0.14 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 1t3v h ILE 78 Cb 1.98 0.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 1t3v h ILE 78 CO 0.21 0.02 0.00 0.00 -0.68 0.00 0.00 178.15 177.70 1t3v n ALA 79 N -2.82 1.42 0.00 1.87 0.00 -0.60 -1.25 120.51 119.13 1t3v n ALA 79 Ca 0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1t3v n ALA 79 Cb 0.37 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1t3v n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3v h ALA 80 N 2.32 -0.11 -0.48 0.00 0.00 -1.27 -3.28 119.26 116.43 1t3v h ALA 80 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1t3v h ALA 80 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1t3v h ALA 80 CO 0.00 -0.19 0.27 0.74 0.00 0.00 0.00 179.25 180.07 1t3v h PHE 81 N -0.87 0.64 0.00 0.00 0.04 -1.36 0.65 116.94 116.04 1t3v h PHE 81 Ca -0.01 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1t3v h PHE 81 Cb 0.59 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1t3v h PHE 81 CO 0.13 0.44 -0.00 0.93 -0.60 0.00 0.00 178.31 179.21 1t3v h GLU 82 N 0.67 0.00 0.00 1.51 5.08 -1.31 0.11 114.58 120.64 1t3v h GLU 82 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1t3v h GLU 82 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1t3v h GLU 82 CO -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1t3v n ALA 83 N -2.09 1.55 -1.09 3.43 0.00 0.22 -2.84 120.51 119.69 1t3v n ALA 83 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1t3v n ALA 83 Cb 0.08 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.62 0.66 -2.89 0.00 -0.00 0.01 -5.00 117.12 108.27 1t3v n MET 84 Ca 0.03 -1.02 -0.19 0.00 -0.00 0.00 0.00 57.70 56.52 1t3v n MET 84 Cb 0.15 -0.69 0.00 0.00 -0.00 0.00 0.00 33.22 32.68 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 -0.23 -0.50 3.62 3.17 0.00 -0.56 -4.91 105.19 105.77 1t3v n GLY 85 Ca 0.02 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.88 4.31 0.44 1.61 1.01 0.19 -4.95 120.40 120.12 1t3v s VAL 86 Ca 0.21 1.42 -0.23 0.00 0.00 0.00 0.00 61.98 63.38 1t3v s VAL 86 Cb -0.10 -4.48 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 1t3v s VAL 86 CO 0.26 -0.75 1.12 -0.75 0.00 0.00 0.00 175.10 174.98 1t3v s LYS 87 N 4.14 3.90 -0.21 2.72 2.20 -0.49 -4.24 119.74 127.77 1t3v s LYS 87 Ca 0.48 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1t3v s LYS 87 Cb -0.10 -2.44 0.05 0.00 -1.51 0.00 0.00 37.83 33.83 1t3v s LYS 87 CO 0.25 -0.40 -0.05 0.08 -0.36 0.00 0.00 175.35 174.86 1t3v s VAL 88 N -1.61 1.35 -0.11 4.02 1.01 -1.26 -1.28 120.40 122.52 1t3v s VAL 88 Ca 0.62 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1t3v s VAL 88 Cb -0.26 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1t3v s VAL 88 CO 0.31 0.00 0.36 -0.63 0.00 0.00 0.00 175.10 175.14 1t3v s ILE 89 N 1.50 5.22 0.28 2.22 1.01 0.31 -4.64 121.20 127.11 1t3v s ILE 89 Ca -0.03 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.36 1t3v s ILE 89 Cb -0.17 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 1t3v s ILE 89 CO -0.07 0.44 0.03 -0.54 0.00 0.00 0.00 174.94 174.79 1t3v s LYS 90 N 0.01 1.52 -0.28 2.79 3.01 -1.26 -0.59 119.74 124.94 1t3v s LYS 90 Ca 0.21 -1.81 0.00 0.00 -1.01 0.00 0.00 55.97 53.35 1t3v s LYS 90 Cb -0.14 -0.77 0.00 0.00 -1.01 0.00 0.00 37.83 35.90 1t3v s LYS 90 CO 0.08 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.21 1t3v n GLY 91 N -0.57 0.48 3.69 -3.33 0.00 -0.10 -4.78 105.19 100.58 1t3v n GLY 91 Ca -0.03 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.71 1.07 -0.00 4.61 0.00 -0.45 -4.93 121.76 120.35 1t3v s ALA 92 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1t3v s ALA 92 Cb 0.00 -3.03 0.08 0.00 0.00 0.00 0.00 23.12 20.16 1t3v s ALA 92 CO 0.00 -2.89 0.69 -1.54 0.00 0.00 0.00 175.76 172.02 1t3v s SER 93 N -3.73 -0.61 0.00 0.00 1.04 -1.26 -4.44 113.70 104.70 1t3v s SER 93 Ca 0.67 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1t3v s SER 93 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1t3v s SER 93 CO 0.56 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1t3v n GLY 94 N 0.53 0.53 3.92 7.32 0.00 -1.26 -4.60 105.19 111.64 1t3v n GLY 94 Ca -0.18 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.57 2.09 0.09 2.61 -4.23 -1.26 -1.20 115.64 113.16 1t3v s THR 95 Ca 0.00 -0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.17 1t3v s THR 95 Cb 0.00 -2.96 -0.12 0.00 1.34 0.00 0.00 72.50 70.76 1t3v s THR 95 CO 0.00 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.38 1t3v h VAL 96 N -1.06 1.05 -0.79 2.29 2.07 -0.89 -0.39 116.25 118.53 1t3v h VAL 96 Ca -0.44 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1t3v h VAL 96 Cb 1.29 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1t3v h VAL 96 CO 0.54 0.05 0.52 1.05 0.02 0.00 0.00 177.57 179.75 1t3v h GLU 97 N 0.08 0.93 0.32 1.57 4.11 -1.70 -1.11 114.58 118.78 1t3v h GLU 97 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1t3v h GLU 97 Cb 0.03 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1t3v h GLU 97 CO -0.01 0.61 -0.15 1.49 0.07 0.00 0.00 179.01 181.02 1t3v h GLU 98 N 0.96 -0.42 -0.71 1.06 4.81 -1.78 -2.14 114.58 116.37 1t3v h GLU 98 Ca 0.32 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.67 1t3v h GLU 98 Cb 0.07 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 1t3v h GLU 98 CO -0.10 -0.17 0.34 0.28 -0.73 0.00 0.00 179.01 178.63 1t3v h VAL 99 N -1.05 0.83 -0.34 0.32 2.07 -0.99 0.60 116.25 117.68 1t3v h VAL 99 Ca -0.04 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1t3v h VAL 99 Cb 0.44 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1t3v h VAL 99 CO 0.07 0.11 -0.17 0.58 0.02 0.00 0.00 177.57 178.18 1t3v h VAL 100 N 0.58 1.25 -0.55 2.57 2.07 -1.25 -0.98 116.25 119.94 1t3v h VAL 100 Ca 0.35 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1t3v h VAL 100 Cb 0.39 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1t3v h VAL 100 CO -0.28 0.39 -0.05 -1.13 0.02 0.00 0.00 177.57 176.52 1t3v h ASN 101 N 0.55 1.00 -0.59 0.57 -1.24 -0.35 -0.36 115.58 115.17 1t3v h ASN 101 Ca 0.09 -0.33 0.01 0.00 0.71 0.00 0.00 56.30 56.79 1t3v h ASN 101 Cb 0.60 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1t3v h ASN 101 CO 0.04 1.09 0.38 1.56 -1.29 0.00 0.00 177.43 179.21 1t3v h GLN 102 N 0.89 0.74 -0.23 6.67 4.20 -0.53 -0.41 115.11 126.43 1t3v h GLN 102 Ca 0.15 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1t3v h GLN 102 Cb 0.60 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1t3v h GLN 102 CO 0.04 0.49 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.68 1t3v h TYR 103 N 0.77 0.54 0.00 2.96 3.20 -1.09 -0.93 116.97 122.42 1t3v h TYR 103 Ca 0.23 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1t3v h TYR 103 Cb -0.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 1t3v h TYR 103 CO -0.04 0.73 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.97 1t3v h LEU 104 N 0.20 0.00 0.00 2.82 3.38 -0.92 -0.06 115.31 120.73 1t3v h LEU 104 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1t3v h LEU 104 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1t3v h LEU 104 CO 0.03 0.17 0.00 -1.20 0.09 0.00 0.00 178.44 177.53 1t3v n SER 105 N -4.05 0.00 -0.27 -0.43 7.64 -0.18 -4.90 113.62 111.43 1t3v n SER 105 Ca -0.02 -0.42 -0.04 0.00 1.01 0.00 0.00 58.87 59.41 1t3v n SER 105 Cb 0.25 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1t3v n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3v n GLY 106 N 0.82 0.47 0.06 0.23 0.00 -0.03 -4.86 105.19 101.87 1t3v n GLY 106 Ca 0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1t3v n GLY 106 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t3v h GLN 107 N 0.21 0.02 -6.57 1.61 1.08 -1.40 -3.45 115.11 106.62 1t3v h GLN 107 Ca -0.07 -0.01 -0.53 0.00 -1.45 0.00 0.00 58.65 56.59 1t3v h GLN 107 Cb 0.78 -0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.23 1t3v h GLN 107 CO 0.11 0.43 0.65 -1.17 -0.95 0.00 0.00 178.83 177.90 1t3v s LEU 108 N -9.36 4.39 0.04 1.46 2.96 -1.13 -5.00 118.68 112.03 1t3v s LEU 108 Ca -0.15 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.03 1t3v s LEU 108 Cb 0.02 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1t3v s LEU 108 CO 0.68 -0.55 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.34 1t3v s LYS 109 N 0.67 0.50 -0.05 1.98 2.47 -1.26 -4.82 119.74 119.23 1t3v s LYS 109 Ca 0.60 -0.74 0.01 0.00 -1.56 0.00 0.00 55.97 54.28 1t3v s LYS 109 Cb -0.34 -0.24 0.08 0.00 -1.46 0.00 0.00 37.83 35.86 1t3v s LYS 109 CO 0.32 0.04 1.07 -0.40 0.16 0.00 0.00 175.35 176.54 1t3v n ASP 110 N 1.48 2.96 -4.39 1.43 5.75 -1.26 -4.20 116.55 118.32 1t3v n ASP 110 Ca -0.23 -2.18 -0.32 0.00 -0.01 0.00 0.00 54.79 52.05 1t3v n ASP 110 Cb 0.55 -0.54 0.17 0.00 -1.03 0.00 0.00 41.12 40.27 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 0.29 -1.92 -2.28 -1.12 3.41 -1.26 -4.61 113.62 106.13 1t3v n SER 111 Ca 0.07 0.08 -0.02 0.00 -0.26 0.00 0.00 58.87 58.74 1t3v n SER 111 Cb 0.62 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1t3v n SER 111 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1t3v n ASP 112 N -2.32 -5.70 -2.64 4.04 2.03 -1.26 -4.74 116.55 105.95 1t3v n ASP 112 Ca 0.04 0.68 -0.13 0.00 0.52 0.00 0.00 54.79 55.90 1t3v n ASP 112 Cb 0.57 -3.69 -0.04 0.00 -0.72 0.00 0.00 41.12 37.23 1t3v n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t3v n TYR 113 N 0.13 -0.89 -1.06 -0.67 9.36 -1.26 -5.05 117.16 117.72 1t3v n TYR 113 Ca 0.03 -2.01 -0.29 0.00 3.32 0.00 0.00 57.90 58.95 1t3v n TYR 113 Cb 0.10 0.32 0.19 0.00 -0.63 0.00 0.00 39.34 39.32 1t3v n TYR 113 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 1t3v s GLU 114 N -2.85 0.27 0.21 2.98 -1.05 -1.26 -5.02 118.70 111.99 1t3v s GLU 114 Ca 0.27 0.62 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 1t3v s GLU 114 Cb 0.00 -1.71 0.00 0.00 -0.44 0.00 0.00 34.13 31.98 1t3v s GLU 114 CO 0.19 -2.86 0.00 1.55 0.95 0.00 0.00 175.26 175.09 1t3v n VAL 115 N -4.28 0.00 -1.72 1.83 3.14 -1.26 -5.16 118.33 110.88 1t3v n VAL 115 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1t3v n VAL 115 Cb 0.56 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 1t3v n VAL 115 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1t3v n HIS 116 N -3.17 0.00 -1.66 1.45 8.25 -1.26 -5.12 115.22 113.72 1t3v n HIS 116 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 1t3v n HIS 116 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1t3v n HIS 116 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1t3v n ASP 117 N 0.00 2.65 0.00 0.41 5.75 -1.26 -4.76 116.55 119.34 1t3v n ASP 117 Ca 0.00 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.92 1t3v n ASP 117 Cb 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 38.68 1t3v n ASP 117 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1t3v n HIS 118 N 1.95 -1.19 -4.01 2.11 -0.00 -1.26 -5.17 115.22 107.65 1t3v n HIS 118 Ca 0.12 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.20 1t3v n HIS 118 Cb 0.31 0.24 -0.06 0.00 -0.12 0.00 0.00 29.99 30.35 1t3v n HIS 118 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1t3v s HIS 119 N -0.57 0.47 0.06 1.57 3.76 -1.26 -5.11 115.29 114.21 1t3v s HIS 119 Ca 0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 1t3v s HIS 119 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.71 1t3v s HIS 119 CO 0.00 -0.87 0.00 0.72 -0.85 0.00 0.00 174.74 173.74 1t3v n HIS 120 N -0.32 -0.38 -2.20 1.40 8.25 -1.26 -5.15 115.22 115.56 1t3v n HIS 120 Ca -0.03 0.07 0.14 0.00 -0.26 0.00 0.00 57.72 57.64 1t3v n HIS 120 Cb 0.63 0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.93 1t3v n HIS 120 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1t3v n HIS 121 N -2.84 -3.18 0.00 4.41 8.25 -1.26 -4.85 115.22 115.74 1t3v n HIS 121 Ca 0.00 1.31 0.00 0.00 -0.26 0.00 0.00 57.72 58.77 1t3v n HIS 121 Cb 0.00 -2.35 0.00 0.00 1.12 0.00 0.00 29.99 28.76 1t3v n HIS 121 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1t3v n GLU 122 N -3.55 0.00 -2.87 -0.41 0.00 -1.26 -4.81 120.64 107.73 1t3v n GLU 122 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 1t3v n GLU 122 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.92 1t3v n GLU 122 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1t3v n HIS 123 N 0.00 -3.28 -0.37 4.31 -0.00 -1.26 -5.31 115.22 109.30 1t3v n HIS 123 Ca 0.00 1.41 0.00 0.00 0.46 0.00 0.00 57.72 59.59 1t3v n HIS 123 Cb 0.00 -3.52 0.00 0.00 -0.12 0.00 0.00 29.99 26.35 1t3v n HIS 123 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52