#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0v h ASP 3 N 4.92 0.10 -3.51 0.00 3.45 -1.40 -3.44 116.42 116.54 1i0v h ASP 3 Ca -0.47 -0.09 -0.31 0.00 0.43 0.00 0.00 57.03 56.58 1i0v h ASP 3 Cb 1.21 -0.03 -0.34 0.00 -0.56 0.00 0.00 39.33 39.60 1i0v h ASP 3 CO 0.66 0.96 -0.73 -0.31 -1.57 0.00 0.00 179.24 178.25 1i0v s TYR 4 N -3.00 0.10 -0.23 4.55 2.02 -0.59 -4.95 117.35 115.25 1i0v s TYR 4 Ca -0.01 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1i0v s TYR 4 Cb 0.10 -0.29 0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1i0v s TYR 4 CO 0.82 -0.10 -0.13 0.99 -1.57 0.00 0.00 175.55 175.56 1i0v s THR 5 N 1.09 2.36 -0.62 -0.71 2.01 -1.26 -0.93 115.64 117.58 1i0v s THR 5 Ca -0.09 -1.19 -0.05 0.00 0.31 0.00 0.00 61.69 60.67 1i0v s THR 5 Cb -0.13 -2.19 0.16 0.00 0.01 0.00 0.00 72.50 70.35 1i0v s THR 5 CO -0.03 0.25 0.46 0.00 -0.69 0.00 0.00 174.62 174.61 1i0v n GLY 7 N 3.84 1.86 0.07 0.00 0.00 -1.26 -1.16 105.19 108.53 1i0v n GLY 7 Ca 0.06 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1i0v n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i0v n SER 8 N 10.78 1.12 -4.74 1.61 7.64 -1.26 -4.95 113.62 123.83 1i0v n SER 8 Ca 0.00 -1.06 -0.40 0.00 1.01 0.00 0.00 58.87 58.42 1i0v n SER 8 Cb 0.00 0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 64.07 1i0v n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1i0v s ASN 9 N -2.85 7.25 -0.20 6.43 0.01 -0.31 -5.05 114.94 120.22 1i0v s ASN 9 Ca 0.09 1.49 -0.03 0.00 -0.71 0.00 0.00 52.86 53.70 1i0v s ASN 9 Cb 0.16 -2.48 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 1i0v s ASN 9 CO 0.80 0.00 -0.07 0.00 -1.51 0.00 0.00 177.10 176.32 1i0v s TYR 11 N 1.16 1.91 0.37 0.00 2.02 -0.11 -5.02 117.35 117.68 1i0v s TYR 11 Ca 0.02 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1i0v s TYR 11 Cb -0.14 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.24 1i0v s TYR 11 CO -0.02 0.05 0.51 -1.54 -1.57 0.00 0.00 175.55 172.99 1i0v s SER 12 N -0.94 5.86 0.43 2.29 1.04 -1.26 -0.98 113.70 120.13 1i0v s SER 12 Ca 0.08 -0.24 0.09 0.00 0.48 0.00 0.00 55.95 56.36 1i0v s SER 12 Cb -0.09 -1.06 0.94 0.00 0.10 0.00 0.00 66.02 65.91 1i0v s SER 12 CO 0.01 -0.56 2.08 0.77 0.98 0.00 0.00 173.24 176.52 1i0v h SER 13 N 0.78 0.38 -0.05 7.02 4.64 -1.98 -1.32 113.55 123.02 1i0v h SER 13 Ca -0.44 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1i0v h SER 13 Cb 1.26 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1i0v h SER 13 CO 0.50 0.27 -0.22 0.77 -0.87 0.00 0.00 176.83 177.29 1i0v h SER 14 N 0.45 0.44 -0.40 4.97 4.64 -1.99 -0.23 113.55 121.43 1i0v h SER 14 Ca 0.12 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1i0v h SER 14 Cb -0.05 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1i0v h SER 14 CO -0.03 0.68 0.13 0.44 -0.87 0.00 0.00 176.83 177.17 1i0v h ASP 15 N 0.40 0.58 -0.38 4.97 3.32 -1.63 -1.59 116.42 122.09 1i0v h ASP 15 Ca 0.06 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1i0v h ASP 15 Cb 0.61 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1i0v h ASP 15 CO 0.04 0.63 0.10 0.58 -1.72 0.00 0.00 179.24 178.87 1i0v h VAL 16 N 0.50 1.22 -0.63 -1.35 2.07 -1.08 -1.88 116.25 115.10 1i0v h VAL 16 Ca 0.13 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1i0v h VAL 16 Cb 0.26 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1i0v h VAL 16 CO -0.00 0.26 0.38 0.77 0.02 0.00 0.00 177.57 179.00 1i0v h SER 17 N 0.47 0.76 -0.26 0.57 4.64 -0.93 0.79 113.55 119.59 1i0v h SER 17 Ca 0.12 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1i0v h SER 17 Cb 0.30 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1i0v h SER 17 CO 0.00 0.60 0.12 0.74 -0.87 0.00 0.00 176.83 177.42 1i0v h THR 18 N 0.86 1.15 -0.22 2.95 2.02 -1.19 -0.53 112.91 117.95 1i0v h THR 18 Ca 0.23 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1i0v h THR 18 Cb -0.02 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1i0v h THR 18 CO -0.04 0.15 0.09 0.00 0.37 0.00 0.00 175.52 176.08 1i0v h ALA 19 N 0.98 0.28 -0.87 6.16 0.00 -1.09 -2.78 119.26 121.95 1i0v h ALA 19 Ca 0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1i0v h ALA 19 Cb 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1i0v h ALA 19 CO -0.01 -0.12 0.55 0.37 0.00 0.00 0.00 179.25 180.04 1i0v h GLN 20 N 0.20 1.01 -0.72 0.00 4.15 -0.73 -1.54 115.11 117.47 1i0v h GLN 20 Ca 0.07 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1i0v h GLN 20 Cb 0.18 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 1i0v h GLN 20 CO -0.01 0.67 0.45 0.00 -1.93 0.00 0.00 178.83 178.01 1i0v h ALA 21 N 1.38 0.92 -0.18 3.38 0.00 -0.95 0.46 119.26 124.27 1i0v h ALA 21 Ca 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1i0v h ALA 21 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1i0v h ALA 21 CO -0.14 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.52 1i0v h ALA 22 N 1.24 0.24 -0.68 0.00 0.00 -1.16 -1.97 119.26 116.92 1i0v h ALA 22 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1i0v h ALA 22 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1i0v h ALA 22 CO -0.05 -0.09 0.31 0.78 0.00 0.00 0.00 179.25 180.20 1i0v h GLY 23 N 0.09 1.07 1.06 0.00 0.00 -1.06 -2.56 103.07 101.67 1i0v h GLY 23 Ca 0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1i0v h GLY 23 CO 0.00 0.52 0.12 -1.82 0.00 0.00 0.00 176.54 175.37 1i0v h TYR 24 N 0.96 1.17 -0.32 5.60 3.20 -0.85 -1.43 116.97 125.29 1i0v h TYR 24 Ca 0.23 -0.16 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1i0v h TYR 24 Cb 0.15 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1i0v h TYR 24 CO 0.01 0.97 0.18 -0.22 -1.64 0.00 0.00 178.16 177.46 1i0v h LYS 25 N 1.03 0.36 -0.73 1.82 1.63 -1.16 0.58 116.57 120.09 1i0v h LYS 25 Ca 0.21 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1i0v h LYS 25 Cb 0.42 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1i0v h LYS 25 CO 0.01 0.24 0.41 -0.07 -3.45 0.00 0.00 179.45 176.59 1i0v h LEU 26 N 0.37 0.91 -0.36 5.20 3.38 -1.28 -1.16 115.31 122.39 1i0v h LEU 26 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1i0v h LEU 26 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1i0v h LEU 26 CO -0.07 0.74 0.22 -0.74 0.09 0.00 0.00 178.44 178.68 1i0v h HIS 27 N 1.01 0.40 -0.43 1.13 2.76 -0.65 -0.43 115.15 118.93 1i0v h HIS 27 Ca 0.26 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 1i0v h HIS 27 Cb 0.03 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1i0v h HIS 27 CO -0.00 0.24 0.10 0.93 -1.30 0.00 0.00 177.93 177.89 1i0v h GLU 28 N 0.44 0.65 -0.00 5.26 4.39 -0.47 -2.36 114.58 122.49 1i0v h GLU 28 Ca 0.14 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1i0v h GLU 28 Cb -0.01 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1i0v h GLU 28 CO -0.06 0.60 -0.15 -0.25 -1.16 0.00 0.00 179.01 178.00 1i0v n ASP 29 N -4.31 0.23 -1.67 1.42 8.00 -0.48 -4.93 116.55 114.82 1i0v n ASP 29 Ca 0.03 0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 1i0v n ASP 29 Cb 0.21 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.13 1i0v n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i0v n GLY 30 N 1.43 0.18 3.41 0.44 0.00 -0.27 -5.04 105.19 105.35 1i0v n GLY 30 Ca 0.09 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1i0v n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i0v s GLU 31 N -5.26 1.52 0.19 1.61 2.02 -0.62 -5.05 118.70 113.11 1i0v s GLU 31 Ca 0.19 -1.71 -0.01 0.00 0.02 0.00 0.00 54.97 53.46 1i0v s GLU 31 Cb -0.08 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 1i0v s GLU 31 CO 0.23 0.19 0.10 0.95 0.02 0.00 0.00 175.26 176.76 1i0v s THR 32 N -2.82 0.14 0.01 3.63 -4.23 -1.26 -4.36 115.64 106.75 1i0v s THR 32 Ca 0.27 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1i0v s THR 32 Cb -0.01 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1i0v s THR 32 CO 0.11 -0.13 0.06 0.68 -0.54 0.00 0.00 174.62 174.80 1i0v s VAL 33 N -4.05 0.08 0.00 2.29 -7.23 0.51 -4.90 120.40 107.10 1i0v s VAL 33 Ca 0.35 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1i0v s VAL 33 Cb 0.07 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1i0v s VAL 33 CO 0.09 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1i0v n GLY 34 N 1.71 -0.98 0.28 2.32 0.00 -1.26 -1.24 105.19 106.02 1i0v n GLY 34 Ca -0.22 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.36 1i0v n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i0v h SER 35 N 0.00 0.00 -0.28 1.61 4.64 -1.88 -1.98 113.55 115.66 1i0v h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i0v h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i0v h SER 35 CO 0.00 0.06 0.00 0.59 -0.87 0.00 0.00 176.83 176.61 1i0v n ASN 36 N -3.24 2.29 -3.37 4.97 3.02 -1.26 -4.98 115.26 112.68 1i0v n ASN 36 Ca -0.01 -1.85 -0.12 0.00 -0.03 0.00 0.00 54.58 52.57 1i0v n ASN 36 Cb 0.27 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1i0v n ASN 36 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1i0v n SER 37 N 0.73 -6.54 -4.86 6.41 2.88 -0.74 -4.87 113.62 106.62 1i0v n SER 37 Ca 0.17 -0.50 -0.35 0.00 -1.33 0.00 0.00 58.87 56.86 1i0v n SER 37 Cb 0.41 -3.99 -0.05 0.00 -0.75 0.00 0.00 64.21 59.83 1i0v n SER 37 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1i0v s TYR 38 N -3.08 3.59 0.41 0.66 2.02 -0.38 -3.67 117.35 116.91 1i0v s TYR 38 Ca 0.09 0.84 -0.19 0.00 -0.37 0.00 0.00 57.07 57.44 1i0v s TYR 38 Cb -0.03 -2.20 -0.10 0.00 -0.40 0.00 0.00 41.96 39.23 1i0v s TYR 38 CO 0.81 0.51 0.90 -1.25 -1.57 0.00 0.00 175.55 174.95 1i0v s PRO 39 N -1.88 4.16 0.15 -1.71 0.04 -1.26 -0.37 135.00 134.13 1i0v s PRO 39 Ca 0.33 1.00 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 1i0v s PRO 39 Cb -0.14 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1i0v s PRO 39 CO 0.18 0.00 0.05 -3.38 0.04 0.00 0.00 177.00 173.89 1i0v s HIS 40 N -2.15 0.97 0.33 0.56 -3.43 -1.10 -4.94 115.29 105.53 1i0v s HIS 40 Ca 0.60 -1.19 -0.29 0.00 -0.80 0.00 0.00 55.06 53.38 1i0v s HIS 40 Cb -0.09 -0.54 -0.12 0.00 -1.43 0.00 0.00 32.58 30.39 1i0v s HIS 40 CO 0.15 -0.45 1.42 1.17 -2.00 0.00 0.00 174.74 175.03 1i0v n LYS 41 N -0.14 2.39 -3.78 -0.38 4.81 -1.26 -0.91 118.16 118.88 1i0v n LYS 41 Ca -0.05 0.84 -0.37 0.00 -0.87 0.00 0.00 58.31 57.86 1i0v n LYS 41 Cb 0.64 -2.51 -0.13 0.00 0.02 0.00 0.00 35.03 33.05 1i0v n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1i0v s TYR 42 N -0.78 3.15 -0.60 5.64 5.04 0.09 -4.70 117.35 125.19 1i0v s TYR 42 Ca 0.58 -1.10 0.25 0.00 -2.44 0.00 0.00 57.07 54.36 1i0v s TYR 42 Cb -0.54 -2.24 0.88 0.00 0.35 0.00 0.00 41.96 40.42 1i0v s TYR 42 CO 0.59 -0.61 1.75 -0.91 -1.34 0.00 0.00 175.55 175.03 1i0v h ASN 43 N 8.21 0.00 -5.77 4.32 -0.26 -1.94 -3.38 115.58 116.76 1i0v h ASN 43 Ca -0.30 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.07 1i0v h ASN 43 Cb 1.12 0.00 0.14 0.00 -1.06 0.00 0.00 38.32 38.52 1i0v h ASN 43 CO 0.60 0.00 -0.76 -3.20 -1.06 0.00 0.00 177.43 173.01 1i0v n ASN 44 N -2.30 -2.90 0.14 5.81 5.15 -1.26 -4.88 115.26 115.02 1i0v n ASN 44 Ca 0.04 -0.64 0.03 0.00 -0.60 0.00 0.00 54.58 53.42 1i0v n ASN 44 Cb 0.35 -4.92 0.43 0.00 -0.53 0.00 0.00 39.78 35.11 1i0v n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1i0v h TYR 45 N -2.07 0.20 -0.00 1.20 0.05 -2.00 -1.75 116.97 112.61 1i0v h TYR 45 Ca -0.59 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.17 1i0v h TYR 45 Cb 1.35 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.03 1i0v h TYR 45 CO 0.46 0.30 -0.02 0.93 -1.05 0.00 0.00 178.16 178.78 1i0v h GLU 46 N 0.19 0.00 -0.06 4.88 3.07 -1.94 -3.46 114.58 117.27 1i0v h GLU 46 Ca 0.04 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1i0v h GLU 46 Cb 0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1i0v h GLU 46 CO 0.02 0.02 0.00 0.41 -1.40 0.00 0.00 179.01 178.06 1i0v n GLY 47 N -1.48 0.57 3.75 -3.84 0.00 -0.66 -5.02 105.19 98.52 1i0v n GLY 47 Ca -0.03 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1i0v n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i0v s PHE 48 N -2.06 2.42 -1.16 1.61 0.08 -1.26 -4.92 117.98 112.68 1i0v s PHE 48 Ca 0.00 1.40 -0.10 0.00 0.12 0.00 0.00 56.93 58.35 1i0v s PHE 48 Cb 0.00 -3.73 0.24 0.00 -0.57 0.00 0.00 43.02 38.96 1i0v s PHE 48 CO 0.00 -2.62 1.38 -0.25 -0.10 0.00 0.00 175.22 173.62 1i0v n ASP 49 N -0.85 5.53 -4.78 1.36 8.00 -1.26 -5.02 116.55 119.53 1i0v n ASP 49 Ca 0.09 -3.09 -0.36 0.00 0.71 0.00 0.00 54.79 52.14 1i0v n ASP 49 Cb 0.45 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.10 1i0v n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1i0v s PHE 50 N -0.43 2.94 -1.16 1.24 0.08 -1.26 -4.95 117.98 114.44 1i0v s PHE 50 Ca 0.36 1.57 0.28 0.00 0.12 0.00 0.00 56.93 59.26 1i0v s PHE 50 Cb -0.03 -3.24 1.03 0.00 -0.57 0.00 0.00 43.02 40.21 1i0v s PHE 50 CO -0.01 -1.18 1.76 -1.13 -0.10 0.00 0.00 175.22 174.56 1i0v n SER 51 N -0.66 0.26 -4.61 1.36 3.41 -1.26 -4.84 113.62 107.26 1i0v n SER 51 Ca 0.08 0.01 -0.26 0.00 -0.26 0.00 0.00 58.87 58.45 1i0v n SER 51 Cb 0.50 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 1i0v n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1i0v s VAL 52 N -2.87 3.40 0.56 -3.33 -7.23 -1.26 -5.12 120.40 104.55 1i0v s VAL 52 Ca 0.17 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.51 1i0v s VAL 52 Cb 0.19 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1i0v s VAL 52 CO 0.57 -0.18 1.04 -0.55 -0.31 0.00 0.00 175.10 175.67 1i0v s SER 53 N -3.09 5.99 0.83 4.85 0.15 -1.26 -5.04 113.70 116.14 1i0v s SER 53 Ca 0.27 1.80 -0.11 0.00 0.70 0.00 0.00 55.95 58.62 1i0v s SER 53 Cb -0.08 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 61.83 1i0v s SER 53 CO 0.17 -1.02 1.17 -0.94 1.20 0.00 0.00 173.24 173.82 1i0v s SER 54 N -2.70 3.98 0.71 5.45 1.04 -1.26 -4.69 113.70 116.23 1i0v s SER 54 Ca 0.63 0.31 -0.15 0.00 0.48 0.00 0.00 55.95 57.23 1i0v s SER 54 Cb -0.15 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.36 1i0v s SER 54 CO 0.33 -2.17 1.18 -2.84 0.98 0.00 0.00 173.24 170.73 1i0v s PRO 55 N -5.56 2.30 0.13 4.02 0.02 -1.26 -4.85 135.00 129.80 1i0v s PRO 55 Ca 0.67 1.67 0.08 0.00 0.02 0.00 0.00 61.00 63.44 1i0v s PRO 55 Cb -0.07 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1i0v s PRO 55 CO 0.49 -1.69 -0.12 0.71 -0.33 0.00 0.00 177.00 176.06 1i0v s TYR 56 N -2.07 2.65 0.01 6.54 2.02 -1.26 -3.39 117.35 121.85 1i0v s TYR 56 Ca 0.72 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 57.25 1i0v s TYR 56 Cb -0.27 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1i0v s TYR 56 CO 0.44 0.44 -0.09 0.71 -1.57 0.00 0.00 175.55 175.48 1i0v s TYR 57 N -1.32 0.79 0.05 2.71 2.02 0.25 -0.74 117.35 121.11 1i0v s TYR 57 Ca 0.21 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.71 1i0v s TYR 57 Cb -0.10 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 1i0v s TYR 57 CO 0.13 -0.02 -0.09 -1.83 -1.57 0.00 0.00 175.55 172.17 1i0v s GLU 58 N -0.69 2.34 -0.07 -0.62 -1.05 -0.08 -1.45 118.70 117.08 1i0v s GLU 58 Ca -0.00 -0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 53.90 1i0v s GLU 58 Cb -0.05 -2.39 0.02 0.00 -0.44 0.00 0.00 34.13 31.27 1i0v s GLU 58 CO 0.00 0.56 0.19 -0.46 0.95 0.00 0.00 175.26 176.50 1i0v s TRP 59 N -1.07 -0.22 0.42 4.83 -0.11 -0.61 -2.72 118.94 119.46 1i0v s TRP 59 Ca 0.19 0.53 -0.25 0.00 1.22 0.00 0.00 56.10 57.79 1i0v s TRP 59 Cb -0.11 0.05 -0.08 0.00 -1.50 0.00 0.00 33.47 31.82 1i0v s TRP 59 CO 0.10 -0.13 1.24 -2.14 -4.62 0.00 0.00 176.95 171.40 1i0v s PRO 60 N 0.41 3.91 -0.10 5.86 0.02 -1.26 -0.44 135.00 143.40 1i0v s PRO 60 Ca -0.03 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.02 1i0v s PRO 60 Cb -0.04 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.84 1i0v s PRO 60 CO -0.02 -0.49 -0.23 -1.50 -0.33 0.00 0.00 177.00 174.44 1i0v s ILE 61 N -1.36 1.94 -0.08 2.83 2.07 -0.98 -4.56 121.20 121.06 1i0v s ILE 61 Ca 0.59 -0.95 -0.03 0.00 -1.41 0.00 0.00 60.65 58.85 1i0v s ILE 61 Cb -0.34 -1.69 -0.03 0.00 0.13 0.00 0.00 42.46 40.53 1i0v s ILE 61 CO 0.43 0.53 0.03 -0.76 -1.91 0.00 0.00 174.94 173.27 1i0v s LEU 62 N 0.37 3.76 0.14 8.50 1.43 -1.26 -4.42 118.68 127.19 1i0v s LEU 62 Ca -0.18 0.20 0.18 0.00 -1.03 0.00 0.00 54.13 53.30 1i0v s LEU 62 Cb -0.18 -1.91 0.78 0.00 0.03 0.00 0.00 46.19 44.92 1i0v s LEU 62 CO 0.08 0.37 1.57 -1.54 0.23 0.00 0.00 176.35 177.06 1i0v n SER 63 N 1.99 0.34 0.21 2.29 3.41 -1.26 -1.98 113.62 118.62 1i0v n SER 63 Ca -0.18 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.16 1i0v n SER 63 Cb 0.54 -0.66 0.42 0.00 -0.26 0.00 0.00 64.21 64.25 1i0v n SER 63 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i0v h SER 64 N 0.00 0.00 0.00 4.04 4.64 -1.99 -3.47 113.55 116.77 1i0v h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i0v h SER 64 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1i0v h SER 64 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1i0v n GLY 65 N 0.64 1.22 3.89 -0.77 0.00 -0.84 -5.05 105.19 104.28 1i0v n GLY 65 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1i0v n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i0v s ASP 66 N -2.42 6.36 0.19 1.61 1.01 -1.26 -5.01 116.67 117.15 1i0v s ASP 66 Ca 0.00 1.07 -0.28 0.00 0.71 0.00 0.00 52.55 54.05 1i0v s ASP 66 Cb 0.00 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 1i0v s ASP 66 CO 0.00 -0.55 0.89 -0.69 0.21 0.00 0.00 175.17 175.03 1i0v s VAL 67 N -2.66 4.25 0.21 -1.27 1.01 -1.26 -4.29 120.40 116.38 1i0v s VAL 67 Ca 0.50 1.96 -0.32 0.00 0.00 0.00 0.00 61.98 64.11 1i0v s VAL 67 Cb -0.10 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 1i0v s VAL 67 CO 0.41 0.47 1.67 0.00 0.00 0.00 0.00 175.10 177.65 1i0v n TYR 68 N 1.77 2.63 -0.50 5.22 9.36 -1.26 -4.91 117.16 129.47 1i0v n TYR 68 Ca -0.02 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1i0v n TYR 68 Cb 0.48 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.56 1i0v n TYR 68 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1i0v n SER 69 N 3.62 0.80 0.00 2.98 7.64 -1.26 -5.07 113.62 122.32 1i0v n SER 69 Ca 0.15 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1i0v n SER 69 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1i0v n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i0v n GLY 70 N -0.15 1.37 0.00 0.23 0.00 -1.26 -4.70 105.19 100.68 1i0v n GLY 70 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1i0v n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i0v n GLY 71 N 0.00 1.40 3.69 -0.02 0.00 -1.26 -4.09 105.19 104.92 1i0v n GLY 71 Ca 0.00 -1.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 1i0v n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i0v n SER 72 N 0.00 3.61 -0.11 1.61 2.88 -1.26 -4.82 113.62 115.53 1i0v n SER 72 Ca 0.00 1.04 0.14 0.00 -1.33 0.00 0.00 58.87 58.73 1i0v n SER 72 Cb 0.00 -1.49 0.65 0.00 -0.75 0.00 0.00 64.21 62.61 1i0v n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1i0v n PRO 73 N 4.43 0.71 0.00 -1.46 -0.04 -1.26 -5.04 135.00 132.33 1i0v n PRO 73 Ca 0.17 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1i0v n PRO 73 Cb 0.33 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1i0v n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i0v n GLY 74 N 1.26 -1.40 0.11 0.55 0.00 -1.26 -4.37 105.19 100.07 1i0v n GLY 74 Ca 0.15 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 45.03 1i0v n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0v n ALA 75 N 0.57 4.48 -2.88 4.61 0.00 -1.26 -4.99 120.51 121.04 1i0v n ALA 75 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 53.44 52.51 1i0v n ALA 75 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1i0v n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i0v s ASP 76 N -2.87 6.21 0.00 0.00 1.01 -1.26 -0.95 116.67 118.81 1i0v s ASP 76 Ca 0.10 0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.59 1i0v s ASP 76 Cb 0.16 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 1i0v s ASP 76 CO 0.80 0.23 0.07 -0.13 0.21 0.00 0.00 175.17 176.35 1i0v s ARG 77 N -2.10 0.35 -0.10 8.23 1.81 0.22 -2.32 118.95 125.04 1i0v s ARG 77 Ca 0.29 -0.39 -0.03 0.00 -1.72 0.00 0.00 55.73 53.88 1i0v s ARG 77 Cb -0.13 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 1i0v s ARG 77 CO 0.21 -0.07 0.04 0.54 -0.68 0.00 0.00 175.30 175.33 1i0v s VAL 78 N -1.17 4.62 -0.15 3.52 0.11 0.41 -1.04 120.40 126.70 1i0v s VAL 78 Ca -0.13 -0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1i0v s VAL 78 Cb -0.07 -2.97 -0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1i0v s VAL 78 CO 0.00 0.60 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.55 1i0v s VAL 79 N -0.85 2.88 0.19 2.04 1.01 0.33 -1.57 120.40 124.43 1i0v s VAL 79 Ca 0.13 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1i0v s VAL 79 Cb -0.12 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1i0v s VAL 79 CO 0.03 0.51 -0.02 0.72 0.00 0.00 0.00 175.10 176.33 1i0v s PHE 80 N 0.75 1.34 0.10 5.22 -0.12 -0.53 -0.18 117.98 124.56 1i0v s PHE 80 Ca -0.06 -0.93 0.01 0.00 -0.05 0.00 0.00 56.93 55.91 1i0v s PHE 80 Cb -0.15 -0.75 0.01 0.00 -0.63 0.00 0.00 43.02 41.50 1i0v s PHE 80 CO 0.01 -0.09 0.08 0.27 -0.05 0.00 0.00 175.22 175.44 1i0v n ASN 81 N -0.29 1.31 0.21 1.98 0.23 -0.58 -0.58 115.26 117.53 1i0v n ASN 81 Ca -0.07 -1.35 0.11 0.00 -0.53 0.00 0.00 54.58 52.74 1i0v n ASN 81 Cb 0.63 -0.01 0.66 0.00 -2.08 0.00 0.00 39.78 38.98 1i0v n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1i0v h GLU 82 N 0.00 0.00 -0.45 -3.83 4.39 -1.83 -1.24 114.58 111.62 1i0v h GLU 82 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1i0v h GLU 82 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1i0v h GLU 82 CO 0.10 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.04 1i0v n ASN 83 N -4.47 2.35 -2.71 1.42 3.02 -1.26 -4.90 115.26 108.71 1i0v n ASN 83 Ca -0.00 -2.05 -0.19 0.00 -0.03 0.00 0.00 54.58 52.30 1i0v n ASN 83 Cb 0.20 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1i0v n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i0v n ASN 84 N 0.67 -5.51 -4.86 6.41 4.05 -0.47 -5.00 115.26 110.56 1i0v n ASN 84 Ca 0.14 -0.30 -0.37 0.00 0.45 0.00 0.00 54.58 54.50 1i0v n ASN 84 Cb 0.39 -4.29 -0.06 0.00 1.23 0.00 0.00 39.78 37.05 1i0v n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1i0v s GLN 85 N -5.67 3.58 -0.07 1.20 -0.21 -1.26 -4.87 119.66 112.36 1i0v s GLN 85 Ca 0.32 -0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.31 1i0v s GLN 85 Cb -0.14 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1i0v s GLN 85 CO 0.39 0.71 1.26 -1.17 -2.12 0.00 0.00 175.29 174.36 1i0v s LEU 86 N -0.86 4.27 -0.16 2.90 2.96 -1.26 -1.53 118.68 125.00 1i0v s LEU 86 Ca 0.15 1.85 -0.08 0.00 -0.22 0.00 0.00 54.13 55.84 1i0v s LEU 86 Cb -0.12 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 1i0v s LEU 86 CO 0.04 -0.65 0.22 0.00 -1.32 0.00 0.00 176.35 174.64 1i0v n ALA 87 N 5.55 0.97 0.00 5.97 0.00 0.75 -4.82 120.51 128.93 1i0v n ALA 87 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1i0v n ALA 87 Cb 0.45 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1i0v n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i0v n GLY 88 N 1.92 -0.58 3.08 0.00 0.00 -1.08 -4.65 105.19 103.88 1i0v n GLY 88 Ca -0.35 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1i0v n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i0v s VAL 89 N -2.00 1.68 0.30 1.61 1.01 -1.26 -0.51 120.40 121.22 1i0v s VAL 89 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1i0v s VAL 89 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1i0v s VAL 89 CO 0.00 0.48 -0.01 0.27 0.00 0.00 0.00 175.10 175.84 1i0v s ILE 90 N 1.07 1.45 0.01 2.22 -4.36 -0.21 -1.09 121.20 120.28 1i0v s ILE 90 Ca -0.04 -2.06 -0.16 0.00 -0.26 0.00 0.00 60.65 58.13 1i0v s ILE 90 Cb -0.14 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.00 1i0v s ILE 90 CO -0.04 -0.18 0.36 0.28 0.24 0.00 0.00 174.94 175.59 1i0v s THR 91 N -3.13 0.06 -0.51 8.37 -1.32 -0.03 -0.61 115.64 118.47 1i0v s THR 91 Ca 0.32 -0.48 0.24 0.00 -1.21 0.00 0.00 61.69 60.56 1i0v s THR 91 Cb 0.06 -0.79 0.25 0.00 -1.51 0.00 0.00 72.50 70.52 1i0v s THR 91 CO 0.13 -0.27 1.55 0.45 -2.21 0.00 0.00 174.62 174.27 1i0v h HIS 92 N 3.48 0.00 -2.75 9.09 3.86 -1.24 -1.05 115.15 126.54 1i0v h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 1i0v h HIS 92 Cb 1.18 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.70 1i0v h HIS 92 CO 0.47 0.00 0.94 0.99 0.86 0.00 0.00 177.93 181.19 1i0v s THR 93 N -3.20 2.60 0.00 2.45 2.01 -1.26 -1.75 115.64 116.49 1i0v s THR 93 Ca 0.07 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1i0v s THR 93 Cb 0.08 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1i0v s THR 93 CO 0.67 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1i0v n GLY 94 N 3.87 0.68 3.36 4.40 0.00 -1.26 -4.77 105.19 111.47 1i0v n GLY 94 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1i0v n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0v s ALA 95 N -2.62 2.31 0.33 4.61 0.00 -0.72 -4.97 121.76 120.69 1i0v s ALA 95 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 51.96 50.36 1i0v s ALA 95 Cb 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 1i0v s ALA 95 CO 0.00 0.54 1.19 -1.54 0.00 0.00 0.00 175.76 175.95 1i0v s SER 96 N -1.47 6.91 0.99 0.00 1.04 -1.26 -4.73 113.70 115.18 1i0v s SER 96 Ca 0.13 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.99 1i0v s SER 96 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1i0v s SER 96 CO 0.03 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1i0v n GLY 97 N 0.91 3.15 1.73 7.32 0.00 -1.26 -1.24 105.19 115.79 1i0v n GLY 97 Ca 0.01 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1i0v n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i0v n ASN 98 N 4.00 5.19 -4.80 1.61 0.23 -1.26 -4.97 115.26 115.27 1i0v n ASN 98 Ca 0.00 -2.71 -0.29 0.00 -0.53 0.00 0.00 54.58 51.05 1i0v n ASN 98 Cb 0.00 -0.64 0.12 0.00 -2.08 0.00 0.00 39.78 37.18 1i0v n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1i0v s ASN 99 N -0.80 3.82 0.14 0.53 0.01 -0.37 -5.02 114.94 113.25 1i0v s ASN 99 Ca 0.51 1.03 0.07 0.00 -0.71 0.00 0.00 52.86 53.77 1i0v s ASN 99 Cb 0.37 -1.64 -0.04 0.00 0.41 0.00 0.00 41.25 40.35 1i0v s ASN 99 CO 0.19 -2.36 -0.17 -0.36 -1.51 0.00 0.00 177.10 172.89 1i0v s PHE 100 N -3.27 1.65 0.10 2.20 0.08 -1.26 -4.36 117.98 113.13 1i0v s PHE 100 Ca 0.63 -0.49 0.03 0.00 0.12 0.00 0.00 56.93 57.22 1i0v s PHE 100 Cb -0.14 -0.85 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1i0v s PHE 100 CO 0.53 0.24 -0.09 0.14 -0.10 0.00 0.00 175.22 175.95 1i0v s VAL 101 N -1.93 0.87 0.40 -0.44 -7.23 -0.40 -4.95 120.40 106.73 1i0v s VAL 101 Ca 0.12 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 1i0v s VAL 101 Cb -0.06 -1.53 -0.11 0.00 0.56 0.00 0.00 36.38 35.25 1i0v s VAL 101 CO 0.05 -0.70 0.96 -0.70 -0.31 0.00 0.00 175.10 174.39 1i0v s GLU 102 N -3.29 4.30 0.42 4.82 2.12 -1.26 -0.85 118.70 124.96 1i0v s GLU 102 Ca 0.09 1.20 -0.21 0.00 0.36 0.00 0.00 54.97 56.41 1i0v s GLU 102 Cb 0.01 -2.34 -0.11 0.00 0.26 0.00 0.00 34.13 31.94 1i0v s GLU 102 CO -0.02 0.03 0.94 0.00 -0.54 0.00 0.00 175.26 175.67