#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0x h ASP 3 N 7.94 0.53 -3.19 0.00 3.32 -1.87 -3.42 116.42 119.72 1i0x h ASP 3 Ca -0.28 -0.43 -0.52 0.00 0.02 0.00 0.00 57.03 55.82 1i0x h ASP 3 Cb 1.14 -0.15 -0.37 0.00 0.22 0.00 0.00 39.33 40.17 1i0x h ASP 3 CO 0.37 0.85 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.63 1i0x s TYR 4 N -4.51 1.43 -0.37 4.55 2.02 -0.34 -4.95 117.35 115.18 1i0x s TYR 4 Ca -0.13 -0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 55.75 1i0x s TYR 4 Cb 0.07 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1i0x s TYR 4 CO 0.78 -0.51 0.20 0.99 -1.57 0.00 0.00 175.55 175.44 1i0x s THR 5 N 1.73 4.46 -0.39 -0.71 2.01 0.31 -0.98 115.64 122.06 1i0x s THR 5 Ca 0.05 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.04 1i0x s THR 5 Cb -0.13 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 68.94 1i0x s THR 5 CO -0.08 -0.25 0.20 0.00 -0.69 0.00 0.00 174.62 173.79 1i0x n GLY 7 N 4.81 0.70 0.00 0.00 0.00 -1.26 0.38 105.19 109.82 1i0x n GLY 7 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1i0x n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i0x n SER 8 N 9.20 1.00 -4.84 1.61 3.41 -1.26 -5.03 113.62 117.71 1i0x n SER 8 Ca 0.00 -1.04 -0.33 0.00 -0.26 0.00 0.00 58.87 57.24 1i0x n SER 8 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1i0x n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1i0x s ASN 9 N -0.04 6.82 -0.13 4.04 0.02 0.16 -5.08 114.94 120.73 1i0x s ASN 9 Ca 0.00 1.24 0.02 0.00 -1.02 0.00 0.00 52.86 53.09 1i0x s ASN 9 Cb 0.00 -2.35 0.02 0.00 0.02 0.00 0.00 41.25 38.93 1i0x s ASN 9 CO 0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 177.10 176.85 1i0x s TYR 11 N 1.06 2.42 0.72 0.00 2.02 -0.16 -5.00 117.35 118.42 1i0x s TYR 11 Ca -0.04 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1i0x s TYR 11 Cb -0.15 -1.54 0.12 0.00 -0.40 0.00 0.00 41.96 40.00 1i0x s TYR 11 CO -0.04 -0.01 1.00 -1.54 -1.57 0.00 0.00 175.55 173.39 1i0x s SER 12 N -0.59 4.36 0.14 2.29 1.04 -1.26 -1.19 113.70 118.49 1i0x s SER 12 Ca 0.09 -0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 1i0x s SER 12 Cb -0.11 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1i0x s SER 12 CO -0.00 -1.85 1.78 -1.28 0.98 0.00 0.00 173.24 172.87 1i0x h SER 13 N -0.56 0.26 0.73 7.02 0.87 -1.99 -2.39 113.55 117.48 1i0x h SER 13 Ca -0.38 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 1i0x h SER 13 Cb 1.27 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1i0x h SER 13 CO 0.42 0.19 -0.31 0.77 -0.53 0.00 0.00 176.83 177.38 1i0x h SER 14 N 0.34 0.00 0.18 6.23 4.64 -1.98 -1.57 113.55 121.38 1i0x h SER 14 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1i0x h SER 14 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1i0x h SER 14 CO -0.06 0.31 -0.09 0.44 -0.87 0.00 0.00 176.83 176.56 1i0x h ASP 15 N 0.00 -0.20 -0.62 4.97 3.32 -1.82 0.13 116.42 122.20 1i0x h ASP 15 Ca -0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1i0x h ASP 15 Cb 0.75 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1i0x h ASP 15 CO 0.04 0.07 0.40 0.58 -1.72 0.00 0.00 179.24 178.61 1i0x h VAL 16 N -0.49 1.17 -0.52 -1.35 2.07 -1.36 -0.75 116.25 115.01 1i0x h VAL 16 Ca -0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1i0x h VAL 16 Cb 0.37 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1i0x h VAL 16 CO 0.04 0.17 0.33 -1.28 0.02 0.00 0.00 177.57 176.84 1i0x h SER 17 N 0.84 0.61 -0.63 0.57 0.87 -1.18 0.24 113.55 114.86 1i0x h SER 17 Ca 0.23 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1i0x h SER 17 Cb -0.07 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 1i0x h SER 17 CO -0.05 0.47 0.16 0.74 -0.53 0.00 0.00 176.83 177.62 1i0x h THR 18 N 0.70 1.25 -0.07 2.23 2.02 -0.36 -0.22 112.91 118.47 1i0x h THR 18 Ca 0.19 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1i0x h THR 18 Cb -0.04 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1i0x h THR 18 CO -0.04 0.35 -0.04 0.00 0.37 0.00 0.00 175.52 176.16 1i0x h ALA 19 N 1.05 0.10 -0.55 6.16 0.00 -0.85 -2.66 119.26 122.52 1i0x h ALA 19 Ca 0.20 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1i0x h ALA 19 Cb 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1i0x h ALA 19 CO 0.00 -0.13 0.28 0.37 0.00 0.00 0.00 179.25 179.77 1i0x h GLN 20 N -0.24 0.52 -0.83 0.00 4.15 -0.46 -0.97 115.11 117.29 1i0x h GLN 20 Ca 0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1i0x h GLN 20 Cb 0.51 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1i0x h GLN 20 CO 0.01 0.35 0.50 0.00 -1.93 0.00 0.00 178.83 177.76 1i0x h ALA 21 N 1.30 1.33 -0.00 3.38 0.00 -1.04 0.15 119.26 124.37 1i0x h ALA 21 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i0x h ALA 21 Cb 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1i0x h ALA 21 CO -0.17 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1i0x h ALA 22 N 1.41 0.01 -0.60 0.00 0.00 -1.00 -2.23 119.26 116.85 1i0x h ALA 22 Ca 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i0x h ALA 22 Cb -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1i0x h ALA 22 CO -0.06 -0.36 0.19 0.78 0.00 0.00 0.00 179.25 179.81 1i0x h GLY 23 N -0.26 1.00 1.02 0.00 0.00 -0.92 -2.70 103.07 101.22 1i0x h GLY 23 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1i0x h GLY 23 CO 0.00 0.55 0.60 -1.82 0.00 0.00 0.00 176.54 175.87 1i0x h TYR 24 N 0.86 1.26 -0.25 5.60 3.20 -0.68 -1.21 116.97 125.75 1i0x h TYR 24 Ca 0.20 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1i0x h TYR 24 Cb 0.28 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1i0x h TYR 24 CO 0.02 0.82 0.09 -0.22 -1.64 0.00 0.00 178.16 177.24 1i0x h LYS 25 N 1.33 0.37 -0.90 1.82 1.63 -1.20 -0.45 116.57 119.17 1i0x h LYS 25 Ca 0.35 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1i0x h LYS 25 Cb -0.08 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 1i0x h LYS 25 CO -0.07 0.42 0.55 -0.07 -3.45 0.00 0.00 179.45 176.83 1i0x h LEU 26 N 0.24 1.07 -0.47 5.20 3.38 -1.20 -1.37 115.31 122.16 1i0x h LEU 26 Ca 0.08 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1i0x h LEU 26 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1i0x h LEU 26 CO -0.01 0.81 0.27 -0.74 0.09 0.00 0.00 178.44 178.86 1i0x h HIS 27 N 1.23 0.50 -0.97 1.13 2.76 -0.78 0.92 115.15 119.95 1i0x h HIS 27 Ca 0.32 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1i0x h HIS 27 Cb -0.07 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.68 1i0x h HIS 27 CO 0.00 0.28 0.64 0.93 -1.30 0.00 0.00 177.93 178.49 1i0x h GLU 28 N 0.54 1.24 -0.15 5.26 5.08 -0.28 -2.17 114.58 124.10 1i0x h GLU 28 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1i0x h GLU 28 Cb 0.03 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1i0x h GLU 28 CO -0.10 0.82 0.00 -0.25 -1.00 0.00 0.00 179.01 178.49 1i0x n ASP 29 N -4.43 1.23 -2.14 1.42 8.00 -0.60 -4.91 116.55 115.12 1i0x n ASP 29 Ca 0.12 -1.71 -0.18 0.00 0.71 0.00 0.00 54.79 53.73 1i0x n ASP 29 Cb 0.04 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1i0x n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i0x n GLY 30 N 1.01 -0.36 3.72 0.44 0.00 -0.34 -5.00 105.19 104.66 1i0x n GLY 30 Ca 0.14 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1i0x n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i0x s GLU 31 N -5.01 2.67 0.05 1.61 2.02 0.17 -5.02 118.70 115.18 1i0x s GLU 31 Ca 0.05 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 1i0x s GLU 31 Cb -0.02 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 1i0x s GLU 31 CO 0.06 0.54 0.02 0.95 0.02 0.00 0.00 175.26 176.85 1i0x s THR 32 N -1.40 0.18 0.03 3.63 -4.23 -1.26 -4.29 115.64 108.30 1i0x s THR 32 Ca 0.27 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1i0x s THR 32 Cb -0.12 -1.21 -0.02 0.00 1.34 0.00 0.00 72.50 72.50 1i0x s THR 32 CO 0.20 -0.82 0.04 0.68 -0.54 0.00 0.00 174.62 174.18 1i0x s VAL 33 N -3.34 0.14 0.00 2.29 -7.23 0.47 -4.88 120.40 107.85 1i0x s VAL 33 Ca 0.01 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1i0x s VAL 33 Cb 0.03 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1i0x s VAL 33 CO -0.08 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 1i0x n GLY 34 N 0.98 0.25 0.32 2.32 0.00 -1.25 -0.93 105.19 106.88 1i0x n GLY 34 Ca -0.20 -1.67 0.19 0.00 0.00 0.00 0.00 46.02 44.33 1i0x n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1i0x h SER 35 N 0.00 0.00 -0.54 1.61 4.64 -1.87 -1.07 113.55 116.32 1i0x h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i0x h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i0x h SER 35 CO 0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 1i0x n ASN 36 N -3.47 4.51 -3.60 4.97 5.15 -1.26 -5.00 115.26 116.56 1i0x n ASN 36 Ca -0.02 -2.54 -0.27 0.00 -0.60 0.00 0.00 54.58 51.14 1i0x n ASN 36 Cb 0.14 -0.54 0.04 0.00 -0.53 0.00 0.00 39.78 38.89 1i0x n ASN 36 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1i0x n SER 37 N 0.73 -5.63 -4.82 1.20 7.64 -0.41 -4.86 113.62 107.46 1i0x n SER 37 Ca 0.24 -0.92 -0.36 0.00 1.01 0.00 0.00 58.87 58.83 1i0x n SER 37 Cb 0.87 -3.59 -0.06 0.00 -1.01 0.00 0.00 64.21 60.42 1i0x n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1i0x s TYR 38 N -3.39 3.68 0.46 1.43 2.02 -0.11 -3.71 117.35 117.73 1i0x s TYR 38 Ca 0.41 1.27 -0.14 0.00 -0.37 0.00 0.00 57.07 58.24 1i0x s TYR 38 Cb -0.14 -2.52 -0.07 0.00 -0.40 0.00 0.00 41.96 38.83 1i0x s TYR 38 CO 0.84 0.42 0.89 -1.25 -1.57 0.00 0.00 175.55 174.89 1i0x s PRO 39 N -1.77 3.90 0.10 -1.71 0.04 -1.26 -0.39 135.00 133.90 1i0x s PRO 39 Ca 0.38 0.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 1i0x s PRO 39 Cb -0.17 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1i0x s PRO 39 CO 0.20 -0.15 0.12 -3.38 0.04 0.00 0.00 177.00 173.83 1i0x s HIS 40 N -2.48 0.42 0.26 0.56 -3.43 -1.16 -4.90 115.29 104.56 1i0x s HIS 40 Ca 0.56 -0.86 -0.30 0.00 -0.80 0.00 0.00 55.06 53.65 1i0x s HIS 40 Cb -0.10 -0.23 -0.14 0.00 -1.43 0.00 0.00 32.58 30.69 1i0x s HIS 40 CO 0.30 -0.52 1.25 0.36 -2.00 0.00 0.00 174.74 174.12 1i0x n LYS 41 N -0.04 1.74 -3.93 -0.38 0.00 -1.26 -1.21 118.16 113.08 1i0x n LYS 41 Ca -0.12 0.61 -0.34 0.00 -0.00 0.00 0.00 58.31 58.47 1i0x n LYS 41 Cb 0.62 -2.16 -0.14 0.00 -0.00 0.00 0.00 35.03 33.36 1i0x n LYS 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1i0x s TYR 42 N -0.53 3.38 -1.20 5.58 5.04 0.18 -4.69 117.35 125.11 1i0x s TYR 42 Ca 0.64 -2.19 0.22 0.00 -2.44 0.00 0.00 57.07 53.30 1i0x s TYR 42 Cb -0.68 -2.36 1.03 0.00 0.35 0.00 0.00 41.96 40.30 1i0x s TYR 42 CO 0.55 -0.86 1.72 0.09 -1.34 0.00 0.00 175.55 175.71 1i0x n ASN 43 N 4.53 0.00 -3.19 4.32 3.02 -1.26 -4.05 115.26 118.64 1i0x n ASN 43 Ca -0.09 0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 1i0x n ASN 43 Cb 0.43 -0.40 0.08 0.00 -0.61 0.00 0.00 39.78 39.27 1i0x n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i0x n ASN 44 N -1.40 -3.43 0.20 6.41 5.15 -1.26 -4.91 115.26 116.03 1i0x n ASN 44 Ca 0.08 -0.60 0.06 0.00 -0.60 0.00 0.00 54.58 53.52 1i0x n ASN 44 Cb 0.22 -4.77 0.44 0.00 -0.53 0.00 0.00 39.78 35.14 1i0x n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1i0x h TYR 45 N -1.49 0.00 0.00 1.20 0.05 -2.01 -2.13 116.97 112.59 1i0x h TYR 45 Ca -0.55 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1i0x h TYR 45 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 1i0x h TYR 45 CO 0.36 0.31 0.00 0.39 -1.05 0.00 0.00 178.16 178.17 1i0x n GLU 46 N -3.86 0.07 -3.05 4.88 4.71 -1.26 -4.87 120.64 117.25 1i0x n GLU 46 Ca -0.01 0.38 -0.19 0.00 -0.01 0.00 0.00 57.16 57.32 1i0x n GLU 46 Cb 0.39 -1.66 0.04 0.00 -1.01 0.00 0.00 31.44 29.20 1i0x n GLU 46 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1i0x n GLY 47 N -0.36 -0.30 3.70 0.62 0.00 -0.80 -4.96 105.19 103.08 1i0x n GLY 47 Ca 0.02 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1i0x n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i0x s PHE 48 N -3.13 1.84 -1.42 1.61 0.08 -1.26 -4.88 117.98 110.82 1i0x s PHE 48 Ca 0.33 1.66 -0.12 0.00 0.12 0.00 0.00 56.93 58.92 1i0x s PHE 48 Cb -0.14 -3.49 0.07 0.00 -0.57 0.00 0.00 43.02 38.89 1i0x s PHE 48 CO 0.40 -2.82 2.22 -3.47 -0.10 0.00 0.00 175.22 171.45 1i0x n ASP 49 N -3.20 4.98 -4.72 1.36 -0.08 -1.26 -4.97 116.55 108.67 1i0x n ASP 49 Ca 0.13 -2.91 -0.42 0.00 -1.51 0.00 0.00 54.79 50.09 1i0x n ASP 49 Cb 0.50 -1.58 -0.03 0.00 2.34 0.00 0.00 41.12 42.35 1i0x n ASP 49 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1i0x s PHE 50 N 2.03 3.69 -2.35 -0.67 0.08 -1.26 -4.94 117.98 114.57 1i0x s PHE 50 Ca 0.48 1.70 0.24 0.00 0.12 0.00 0.00 56.93 59.47 1i0x s PHE 50 Cb 0.13 -3.12 0.33 0.00 -0.57 0.00 0.00 43.02 39.79 1i0x s PHE 50 CO -0.06 -0.04 1.31 -1.13 -0.10 0.00 0.00 175.22 175.20 1i0x n SER 51 N 3.49 2.08 -4.70 1.36 3.41 -1.26 -4.92 113.62 113.08 1i0x n SER 51 Ca 0.05 -1.56 -0.25 0.00 -0.26 0.00 0.00 58.87 56.86 1i0x n SER 51 Cb 0.50 0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 1i0x n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1i0x s VAL 52 N -2.27 3.85 0.63 -3.33 -7.23 -1.26 -5.11 120.40 105.68 1i0x s VAL 52 Ca 0.25 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.74 1i0x s VAL 52 Cb 0.19 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1i0x s VAL 52 CO 0.45 -0.23 1.10 -0.44 -0.31 0.00 0.00 175.10 175.67 1i0x s SER 53 N -3.33 5.33 0.89 4.85 0.01 -1.26 -5.05 113.70 115.14 1i0x s SER 53 Ca 0.30 1.97 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 1i0x s SER 53 Cb -0.08 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.76 1i0x s SER 53 CO 0.21 -1.48 1.24 -0.94 0.41 0.00 0.00 173.24 172.67 1i0x s SER 54 N -2.56 3.65 0.63 2.44 1.04 -1.26 -4.76 113.70 112.89 1i0x s SER 54 Ca 0.67 0.33 -0.14 0.00 0.48 0.00 0.00 55.95 57.29 1i0x s SER 54 Cb -0.20 -0.54 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 1i0x s SER 54 CO 0.39 -2.39 1.06 -2.16 0.98 0.00 0.00 173.24 171.11 1i0x s PRO 55 N -5.71 3.18 0.16 4.02 0.04 -1.26 -4.80 135.00 130.63 1i0x s PRO 55 Ca 0.70 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.91 1i0x s PRO 55 Cb -0.06 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1i0x s PRO 55 CO 0.51 -0.91 -0.05 0.71 0.04 0.00 0.00 177.00 177.29 1i0x s TYR 56 N -2.70 2.76 -0.02 0.56 2.02 -1.26 -3.75 117.35 114.97 1i0x s TYR 56 Ca 0.61 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1i0x s TYR 56 Cb -0.15 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1i0x s TYR 56 CO 0.44 0.50 -0.06 0.71 -1.57 0.00 0.00 175.55 175.57 1i0x s TYR 57 N -1.62 0.64 -0.02 2.71 2.02 0.14 0.48 117.35 121.71 1i0x s TYR 57 Ca 0.25 -0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1i0x s TYR 57 Cb -0.10 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 1i0x s TYR 57 CO 0.17 -0.08 0.19 -1.83 -1.57 0.00 0.00 175.55 172.42 1i0x s GLU 58 N 0.29 3.45 -0.09 -0.62 -1.05 -0.35 -1.79 118.70 118.55 1i0x s GLU 58 Ca -0.03 -0.28 -0.05 0.00 -0.15 0.00 0.00 54.97 54.45 1i0x s GLU 58 Cb -0.08 -3.10 0.04 0.00 -0.44 0.00 0.00 34.13 30.55 1i0x s GLU 58 CO -0.00 0.68 0.21 -0.46 0.95 0.00 0.00 175.26 176.64 1i0x s TRP 59 N -1.30 -0.27 0.31 4.83 -0.11 -0.49 -3.00 118.94 118.90 1i0x s TRP 59 Ca 0.26 0.66 -0.29 0.00 1.22 0.00 0.00 56.10 57.96 1i0x s TRP 59 Cb -0.13 0.02 -0.10 0.00 -1.50 0.00 0.00 33.47 31.77 1i0x s TRP 59 CO 0.17 -0.19 1.40 -2.14 -4.62 0.00 0.00 176.95 171.58 1i0x s PRO 60 N 0.98 4.27 -0.17 5.86 0.02 -1.26 -0.44 135.00 144.25 1i0x s PRO 60 Ca -0.07 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1i0x s PRO 60 Cb -0.09 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1i0x s PRO 60 CO -0.06 -0.36 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.56 1i0x s ILE 61 N -0.68 2.24 -0.08 2.83 2.07 -0.97 -4.56 121.20 122.06 1i0x s ILE 61 Ca 0.54 -0.90 -0.19 0.00 -1.41 0.00 0.00 60.65 58.69 1i0x s ILE 61 Cb -0.42 -1.93 -0.05 0.00 0.13 0.00 0.00 42.46 40.19 1i0x s ILE 61 CO 0.51 0.53 0.52 -0.76 -1.91 0.00 0.00 174.94 173.84 1i0x s LEU 62 N 1.08 4.33 0.37 8.50 1.43 -1.26 -4.54 118.68 128.59 1i0x s LEU 62 Ca -0.00 0.95 0.09 0.00 -1.03 0.00 0.00 54.13 54.13 1i0x s LEU 62 Cb -0.14 -2.78 0.82 0.00 0.03 0.00 0.00 46.19 44.12 1i0x s LEU 62 CO -0.07 0.04 1.91 0.77 0.23 0.00 0.00 176.35 179.24 1i0x h SER 63 N 6.30 0.62 -0.20 2.29 4.64 -1.94 -1.84 113.55 123.42 1i0x h SER 63 Ca -0.43 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1i0x h SER 63 Cb 1.19 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1i0x h SER 63 CO 0.73 0.36 0.10 0.77 -0.87 0.00 0.00 176.83 177.91 1i0x h SER 64 N 0.68 0.14 0.00 4.97 4.64 -1.99 -3.47 113.55 118.51 1i0x h SER 64 Ca 0.38 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1i0x h SER 64 Cb 0.54 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1i0x h SER 64 CO -0.15 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1i0x n GLY 65 N -1.16 1.43 3.78 -0.77 0.00 -0.69 -5.12 105.19 102.66 1i0x n GLY 65 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1i0x n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i0x s ASP 66 N -1.42 4.95 -0.01 1.61 1.01 -1.26 -4.96 116.67 116.58 1i0x s ASP 66 Ca 0.00 1.85 -0.25 0.00 0.71 0.00 0.00 52.55 54.86 1i0x s ASP 66 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1i0x s ASP 66 CO 0.00 -1.74 0.76 -0.69 0.21 0.00 0.00 175.17 173.71 1i0x s VAL 67 N -2.70 4.89 0.21 -1.27 1.01 -1.26 -4.31 120.40 116.97 1i0x s VAL 67 Ca 0.63 1.59 -0.32 0.00 0.00 0.00 0.00 61.98 63.87 1i0x s VAL 67 Cb -0.18 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 31.96 1i0x s VAL 67 CO 0.49 0.29 1.42 0.00 0.00 0.00 0.00 175.10 177.30 1i0x n TYR 68 N 3.37 2.06 -2.42 5.22 9.36 -1.26 -4.91 117.16 128.58 1i0x n TYR 68 Ca -0.01 0.43 -0.02 0.00 3.32 0.00 0.00 57.90 61.62 1i0x n TYR 68 Cb 0.51 -2.45 0.06 0.00 -0.63 0.00 0.00 39.34 36.82 1i0x n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1i0x n SER 69 N 2.44 1.99 0.00 2.98 3.41 -1.26 -4.98 113.62 118.21 1i0x n SER 69 Ca 0.14 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 1i0x n SER 69 Cb 0.29 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1i0x n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i0x n GLY 70 N -0.35 0.69 0.00 5.00 0.00 -1.26 -4.77 105.19 104.50 1i0x n GLY 70 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1i0x n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i0x n GLY 71 N -2.00 1.02 3.64 -0.02 0.00 -1.26 -3.88 105.19 102.69 1i0x n GLY 71 Ca 0.00 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1i0x n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i0x s SER 72 N -1.00 6.91 0.41 1.61 0.15 -1.26 -4.79 113.70 115.72 1i0x s SER 72 Ca 0.00 1.11 0.28 0.00 0.70 0.00 0.00 55.95 58.04 1i0x s SER 72 Cb 0.00 -2.54 1.00 0.00 -1.71 0.00 0.00 66.02 62.77 1i0x s SER 72 CO 0.00 -0.89 1.82 1.55 1.20 0.00 0.00 173.24 176.92 1i0x h PRO 73 N 8.20 0.00 0.00 5.44 0.13 -1.99 -3.50 132.00 140.28 1i0x h PRO 73 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1i0x h PRO 73 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i0x h PRO 73 CO 1.03 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 1i0x n GLY 74 N 0.39 -1.38 0.03 1.56 0.00 -1.26 -4.41 105.19 100.12 1i0x n GLY 74 Ca 0.02 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.94 1i0x n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0x n ALA 75 N 0.37 3.31 -2.46 4.61 0.00 -1.26 -4.98 120.51 120.10 1i0x n ALA 75 Ca 0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1i0x n ALA 75 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1i0x n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i0x s ASP 76 N -4.13 6.73 -0.00 0.00 1.01 -1.26 -1.28 116.67 117.74 1i0x s ASP 76 Ca 0.01 0.93 -0.03 0.00 0.71 0.00 0.00 52.55 54.17 1i0x s ASP 76 Cb 0.14 -2.23 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 1i0x s ASP 76 CO 0.83 0.13 0.06 -0.13 0.21 0.00 0.00 175.17 176.28 1i0x s ARG 77 N -1.95 0.32 0.01 8.23 1.81 0.40 -2.30 118.95 125.46 1i0x s ARG 77 Ca 0.36 -0.34 -0.00 0.00 -1.72 0.00 0.00 55.73 54.03 1i0x s ARG 77 Cb -0.14 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 1i0x s ARG 77 CO 0.19 -0.06 0.09 0.14 -0.68 0.00 0.00 175.30 174.98 1i0x s VAL 78 N -1.03 4.79 -0.14 3.52 -7.23 0.41 -1.02 120.40 119.71 1i0x s VAL 78 Ca -0.11 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1i0x s VAL 78 Cb -0.07 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.67 1i0x s VAL 78 CO 0.00 0.31 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.23 1i0x s VAL 79 N -1.25 1.78 0.26 1.32 1.01 0.06 -1.40 120.40 122.19 1i0x s VAL 79 Ca 0.25 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1i0x s VAL 79 Cb -0.12 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1i0x s VAL 79 CO 0.16 0.50 0.00 0.72 0.00 0.00 0.00 175.10 176.48 1i0x s PHE 80 N 1.06 1.71 0.19 5.22 -0.12 -0.74 0.86 117.98 126.17 1i0x s PHE 80 Ca -0.03 -0.90 0.01 0.00 -0.05 0.00 0.00 56.93 55.96 1i0x s PHE 80 Cb -0.14 -1.02 0.01 0.00 -0.63 0.00 0.00 43.02 41.23 1i0x s PHE 80 CO -0.05 0.01 0.08 0.27 -0.05 0.00 0.00 175.22 175.49 1i0x n ASN 81 N -0.51 2.00 0.26 1.98 0.23 -0.90 -0.68 115.26 117.65 1i0x n ASN 81 Ca -0.04 -1.73 0.18 0.00 -0.53 0.00 0.00 54.58 52.46 1i0x n ASN 81 Cb 0.64 0.05 0.87 0.00 -2.08 0.00 0.00 39.78 39.26 1i0x n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1i0x h GLU 82 N 0.00 0.00 -0.01 -3.83 4.39 -1.86 -0.26 114.58 113.01 1i0x h GLU 82 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1i0x h GLU 82 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1i0x h GLU 82 CO 0.22 0.00 -0.08 0.09 -1.16 0.00 0.00 179.01 178.08 1i0x n ASN 83 N -2.82 1.25 -2.31 1.42 5.03 -1.26 -4.91 115.26 111.67 1i0x n ASN 83 Ca -0.01 -1.26 -0.16 0.00 0.87 0.00 0.00 54.58 54.01 1i0x n ASN 83 Cb 0.15 0.03 0.03 0.00 -1.02 0.00 0.00 39.78 38.97 1i0x n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1i0x n ASN 84 N -0.16 -4.92 -4.80 6.41 5.15 -0.11 -5.00 115.26 111.84 1i0x n ASN 84 Ca 0.17 -0.23 -0.38 0.00 -0.60 0.00 0.00 54.58 53.54 1i0x n ASN 84 Cb 0.34 -3.74 -0.06 0.00 -0.53 0.00 0.00 39.78 35.79 1i0x n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1i0x s GLN 85 N -5.45 4.00 -0.21 1.20 -0.21 -1.26 -4.86 119.66 112.89 1i0x s GLN 85 Ca 0.25 0.32 -0.29 0.00 0.02 0.00 0.00 55.36 55.65 1i0x s GLN 85 Cb -0.11 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.60 1i0x s GLN 85 CO 0.30 0.53 1.39 -1.17 -2.12 0.00 0.00 175.29 174.23 1i0x s LEU 86 N -0.53 4.04 0.05 2.90 2.96 -1.26 -2.11 118.68 124.73 1i0x s LEU 86 Ca 0.22 1.58 0.04 0.00 -0.22 0.00 0.00 54.13 55.75 1i0x s LEU 86 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1i0x s LEU 86 CO 0.10 -0.98 1.03 0.00 -1.32 0.00 0.00 176.35 175.19 1i0x h ALA 87 N 9.20 0.38 0.00 5.97 0.00 0.14 -3.47 119.26 131.48 1i0x h ALA 87 Ca -0.29 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1i0x h ALA 87 Cb 1.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i0x h ALA 87 CO 0.99 1.26 0.00 0.41 0.00 0.00 0.00 179.25 181.91 1i0x n GLY 88 N 1.49 -0.32 2.97 0.00 0.00 -1.12 -4.72 105.19 103.49 1i0x n GLY 88 Ca -0.08 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 1i0x n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i0x s VAL 89 N -2.00 1.42 0.41 1.61 1.01 -1.26 -0.76 120.40 120.83 1i0x s VAL 89 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1i0x s VAL 89 Cb 0.00 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1i0x s VAL 89 CO 0.00 0.30 0.01 0.27 0.00 0.00 0.00 175.10 175.68 1i0x s ILE 90 N 1.52 2.00 0.02 2.22 -4.36 -0.19 -0.34 121.20 122.07 1i0x s ILE 90 Ca 0.02 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.22 1i0x s ILE 90 Cb -0.14 -3.00 0.04 0.00 1.25 0.00 0.00 42.46 40.61 1i0x s ILE 90 CO -0.09 -0.00 0.42 0.28 0.24 0.00 0.00 174.94 175.78 1i0x s THR 91 N -2.71 0.05 -0.27 8.37 -1.32 0.43 -0.45 115.64 119.73 1i0x s THR 91 Ca 0.35 -0.41 0.20 0.00 -1.21 0.00 0.00 61.69 60.62 1i0x s THR 91 Cb 0.10 -0.87 0.13 0.00 -1.51 0.00 0.00 72.50 70.36 1i0x s THR 91 CO 0.18 -0.23 1.36 0.45 -2.21 0.00 0.00 174.62 174.18 1i0x h HIS 92 N 3.24 0.00 -2.72 9.09 3.86 -1.40 -0.50 115.15 126.73 1i0x h HIS 92 Ca -0.30 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.37 1i0x h HIS 92 Cb 1.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.67 1i0x h HIS 92 CO 0.44 0.23 0.98 0.99 0.86 0.00 0.00 177.93 181.43 1i0x s THR 93 N -3.12 3.18 0.00 2.45 2.01 -1.26 -1.44 115.64 117.46 1i0x s THR 93 Ca 0.04 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1i0x s THR 93 Cb 0.07 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1i0x s THR 93 CO 0.73 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 1i0x n GLY 94 N 3.95 0.34 3.66 4.40 0.00 -1.26 -4.63 105.19 111.65 1i0x n GLY 94 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1i0x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i0x s ALA 95 N -2.11 3.20 0.15 4.61 0.00 -0.52 -4.96 121.76 122.12 1i0x s ALA 95 Ca 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.40 1i0x s ALA 95 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1i0x s ALA 95 CO 0.00 0.31 0.30 -1.54 0.00 0.00 0.00 175.76 174.83 1i0x s SER 96 N -3.53 6.36 0.93 0.00 1.04 -1.26 -4.86 113.70 112.37 1i0x s SER 96 Ca 0.31 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1i0x s SER 96 Cb -0.07 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1i0x s SER 96 CO 0.20 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1i0x n GLY 97 N -0.44 2.78 2.17 7.32 0.00 -1.26 -1.97 105.19 113.79 1i0x n GLY 97 Ca -0.06 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1i0x n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i0x n ASN 98 N 0.56 4.17 -4.91 1.61 5.15 -1.26 -4.97 115.26 115.61 1i0x n ASN 98 Ca 0.00 -3.53 -0.22 0.00 -0.60 0.00 0.00 54.58 50.22 1i0x n ASN 98 Cb 0.00 -0.84 0.06 0.00 -0.53 0.00 0.00 39.78 38.47 1i0x n ASN 98 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1i0x s ASN 99 N -1.21 5.02 0.26 1.20 0.01 -0.83 -5.09 114.94 114.30 1i0x s ASN 99 Ca 0.54 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.79 1i0x s ASN 99 Cb 0.45 -0.79 -0.05 0.00 0.41 0.00 0.00 41.25 41.27 1i0x s ASN 99 CO 0.09 -1.36 -0.06 -0.36 -1.51 0.00 0.00 177.10 173.90 1i0x s PHE 100 N -2.93 1.85 0.05 2.20 0.08 -1.26 -4.43 117.98 113.54 1i0x s PHE 100 Ca 0.59 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.94 1i0x s PHE 100 Cb -0.10 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 1i0x s PHE 100 CO 0.41 0.24 -0.06 0.14 -0.10 0.00 0.00 175.22 175.85 1i0x s VAL 101 N -3.07 0.42 0.22 -0.44 -7.23 -0.20 -4.90 120.40 105.19 1i0x s VAL 101 Ca 0.28 -1.28 -0.26 0.00 -1.81 0.00 0.00 61.98 58.91 1i0x s VAL 101 Cb 0.03 -0.82 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 1i0x s VAL 101 CO 0.10 -0.58 0.84 -1.83 -0.31 0.00 0.00 175.10 173.33 1i0x s GLU 102 N -2.24 4.63 0.28 4.82 1.03 -1.26 -0.43 118.70 125.53 1i0x s GLU 102 Ca -0.06 1.25 -0.29 0.00 0.03 0.00 0.00 54.97 55.91 1i0x s GLU 102 Cb -0.05 -3.17 -0.09 0.00 -0.80 0.00 0.00 34.13 30.02 1i0x s GLU 102 CO -0.02 0.50 1.05 0.00 -1.33 0.00 0.00 175.26 175.45