#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8rnt h ASP 3 N 5.93 0.00 -3.76 0.00 3.32 -1.20 -3.45 116.42 117.25 8rnt h ASP 3 Ca -0.46 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.39 8rnt h ASP 3 Cb 1.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 8rnt h ASP 3 CO 0.69 0.76 -0.57 -0.31 -1.72 0.00 0.00 179.24 178.08 8rnt s TYR 4 N -2.85 -0.14 -0.19 4.55 1.51 -0.60 -4.96 117.35 114.66 8rnt s TYR 4 Ca 0.02 0.35 0.01 0.00 -1.01 0.00 0.00 57.07 56.44 8rnt s TYR 4 Cb 0.09 0.04 0.04 0.00 -0.11 0.00 0.00 41.96 42.02 8rnt s TYR 4 CO 0.78 -0.07 -0.14 0.99 -1.11 0.00 0.00 175.55 176.00 8rnt s THR 5 N 0.11 1.84 -0.47 -0.71 2.01 -1.26 -0.81 115.64 116.36 8rnt s THR 5 Ca -0.00 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 8rnt s THR 5 Cb -0.01 -1.81 0.12 0.00 0.01 0.00 0.00 72.50 70.81 8rnt s THR 5 CO -0.00 0.29 0.25 0.00 -0.69 0.00 0.00 174.62 174.47 8rnt n GLY 7 N 4.12 2.76 0.81 0.00 0.00 -1.26 -0.48 105.19 111.14 8rnt n GLY 7 Ca 0.02 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.88 8rnt n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 8rnt n SER 8 N 9.25 3.30 -4.83 1.61 3.41 -1.26 -4.96 113.62 120.14 8rnt n SER 8 Ca 0.00 -2.19 -0.38 0.00 -0.26 0.00 0.00 58.87 56.04 8rnt n SER 8 Cb 0.00 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 8rnt n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 8rnt s ASN 9 N -1.14 6.92 -0.10 4.04 0.01 0.37 -5.06 114.94 119.98 8rnt s ASN 9 Ca 0.30 1.10 0.02 0.00 -0.71 0.00 0.00 52.86 53.57 8rnt s ASN 9 Cb 0.18 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 8rnt s ASN 9 CO 0.17 0.30 -0.17 0.00 -1.51 0.00 0.00 177.10 175.88 8rnt s TYR 11 N 0.11 1.60 0.34 0.00 2.02 0.01 -5.01 117.35 116.43 8rnt s TYR 11 Ca -0.08 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 8rnt s TYR 11 Cb -0.15 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 8rnt s TYR 11 CO 0.05 0.07 0.48 -1.54 -1.57 0.00 0.00 175.55 173.04 8rnt s SER 12 N -1.17 5.97 0.41 2.29 1.04 -1.26 -0.61 113.70 120.37 8rnt s SER 12 Ca 0.05 -0.17 0.11 0.00 0.48 0.00 0.00 55.95 56.43 8rnt s SER 12 Cb -0.08 -1.24 0.93 0.00 0.10 0.00 0.00 66.02 65.73 8rnt s SER 12 CO 0.02 -0.44 1.96 0.28 0.98 0.00 0.00 173.24 176.03 8rnt h SER 13 N 0.88 0.48 -0.71 7.02 0.02 -1.97 -1.49 113.55 117.77 8rnt h SER 13 Ca -0.46 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 8rnt h SER 13 Cb 1.26 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 8rnt h SER 13 CO 0.53 0.29 0.22 0.77 -1.14 0.00 0.00 176.83 177.50 8rnt h SER 14 N 0.53 1.03 -0.63 3.07 4.64 -1.99 -0.64 113.55 119.56 8rnt h SER 14 Ca 0.31 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 8rnt h SER 14 Cb 0.52 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 8rnt h SER 14 CO -0.10 0.97 0.18 0.44 -0.87 0.00 0.00 176.83 177.45 8rnt h ASP 15 N 1.05 0.96 -0.07 4.97 3.32 -1.68 -2.24 116.42 122.72 8rnt h ASP 15 Ca 0.23 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 8rnt h ASP 15 Cb 0.30 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 8rnt h ASP 15 CO -0.01 0.92 -0.02 0.58 -1.72 0.00 0.00 179.24 178.99 8rnt h VAL 16 N 0.98 1.30 -0.64 -1.35 2.07 -0.81 -2.15 116.25 115.65 8rnt h VAL 16 Ca 0.21 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.85 8rnt h VAL 16 Cb 0.32 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 8rnt h VAL 16 CO -0.00 0.26 0.35 0.28 0.02 0.00 0.00 177.57 178.47 8rnt h SER 17 N -0.20 0.51 -0.02 0.57 0.02 -1.02 0.73 113.55 114.13 8rnt h SER 17 Ca 0.02 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 8rnt h SER 17 Cb 0.42 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 8rnt h SER 17 CO 0.01 0.33 0.01 0.74 -1.14 0.00 0.00 176.83 176.77 8rnt h THR 18 N 0.64 1.18 -0.28 -2.27 2.02 -1.40 -1.72 112.91 111.09 8rnt h THR 18 Ca 0.29 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 8rnt h THR 18 Cb 0.19 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 8rnt h THR 18 CO -0.18 0.15 0.10 0.00 0.37 0.00 0.00 175.52 175.95 8rnt h ALA 19 N 0.79 0.37 -0.83 6.16 0.00 -1.12 -2.85 119.26 121.78 8rnt h ALA 19 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.80 8rnt h ALA 19 Cb 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 8rnt h ALA 19 CO 0.00 -0.01 0.54 0.37 0.00 0.00 0.00 179.25 180.15 8rnt h GLN 20 N 0.29 1.05 -0.50 0.00 4.15 -0.81 -1.58 115.11 117.71 8rnt h GLN 20 Ca 0.09 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.49 8rnt h GLN 20 Cb 0.22 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 8rnt h GLN 20 CO -0.00 0.69 0.26 0.00 -1.93 0.00 0.00 178.83 177.85 8rnt h ALA 21 N 1.32 0.64 -0.26 3.38 0.00 -1.17 0.21 119.26 123.39 8rnt h ALA 21 Ca 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 8rnt h ALA 21 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 8rnt h ALA 21 CO -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.07 8rnt h ALA 22 N 1.27 0.35 -0.49 0.00 0.00 -1.26 -1.71 119.26 117.41 8rnt h ALA 22 Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 8rnt h ALA 22 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 8rnt h ALA 22 CO -0.15 0.09 -0.12 0.78 0.00 0.00 0.00 179.25 179.85 8rnt h GLY 23 N 0.24 1.02 1.21 0.00 0.00 -1.02 -2.60 103.07 101.93 8rnt h GLY 23 Ca 0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.47 8rnt h GLY 23 CO 0.01 0.77 -0.01 -1.82 0.00 0.00 0.00 176.54 175.49 8rnt h TYR 24 N 0.80 1.02 -0.76 5.60 3.20 -0.57 -1.73 116.97 124.54 8rnt h TYR 24 Ca 0.12 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 8rnt h TYR 24 Cb 0.68 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 8rnt h TYR 24 CO 0.05 0.92 0.27 -0.22 -1.64 0.00 0.00 178.16 177.55 8rnt h LYS 25 N 0.87 1.17 -0.68 1.82 1.63 -1.22 -0.57 116.57 119.57 8rnt h LYS 25 Ca 0.16 -0.23 -0.06 0.00 -0.85 0.00 0.00 60.65 59.67 8rnt h LYS 25 Cb 0.53 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 8rnt h LYS 25 CO 0.03 0.97 0.20 -0.07 -3.45 0.00 0.00 179.45 177.12 8rnt h LEU 26 N 1.12 0.99 -0.08 5.20 4.07 -1.11 -1.73 115.31 123.78 8rnt h LEU 26 Ca 0.25 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 58.05 8rnt h LEU 26 Cb 0.26 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 8rnt h LEU 26 CO -0.01 0.94 -0.08 -0.74 -1.08 0.00 0.00 178.44 177.46 8rnt h HIS 27 N 1.02 -0.20 -0.74 1.13 2.76 -0.69 -0.78 115.15 117.64 8rnt h HIS 27 Ca 0.22 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.45 8rnt h HIS 27 Cb 0.31 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 8rnt h HIS 27 CO 0.02 -0.13 0.49 0.93 -1.30 0.00 0.00 177.93 177.94 8rnt h GLU 28 N -0.11 0.81 -0.00 5.26 5.08 -0.90 -2.58 114.58 122.14 8rnt h GLU 28 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 8rnt h GLU 28 Cb 0.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.26 8rnt h GLU 28 CO -0.14 0.54 -0.05 -0.25 -1.00 0.00 0.00 179.01 178.11 8rnt n ASP 29 N -4.47 0.21 -2.24 1.42 8.00 -0.67 -4.90 116.55 113.91 8rnt n ASP 29 Ca 0.10 -0.43 -0.16 0.00 0.71 0.00 0.00 54.79 55.01 8rnt n ASP 29 Cb 0.17 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 8rnt n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 8rnt n GLY 30 N 1.25 -0.20 3.44 0.44 0.00 -0.58 -5.00 105.19 104.54 8rnt n GLY 30 Ca 0.15 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 8rnt n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 8rnt s GLU 31 N -5.35 1.59 0.09 1.61 2.56 -0.41 -5.05 118.70 113.75 8rnt s GLU 31 Ca 0.21 -1.67 0.00 0.00 0.00 0.00 0.00 54.97 53.51 8rnt s GLU 31 Cb -0.09 -1.73 -0.04 0.00 2.00 0.00 0.00 34.13 34.26 8rnt s GLU 31 CO 0.26 0.34 -0.03 0.95 -0.56 0.00 0.00 175.26 176.22 8rnt s THR 32 N -2.27 0.40 0.06 -1.70 -4.23 -1.26 -4.36 115.64 102.28 8rnt s THR 32 Ca 0.26 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 8rnt s THR 32 Cb -0.06 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 8rnt s THR 32 CO 0.13 -0.83 -0.08 0.68 -0.54 0.00 0.00 174.62 173.98 8rnt s VAL 33 N -3.82 0.62 0.00 2.29 -7.23 0.59 -4.87 120.40 107.98 8rnt s VAL 33 Ca 0.13 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 8rnt s VAL 33 Cb 0.07 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 36.02 8rnt s VAL 33 CO -0.05 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 8rnt n GLY 34 N 0.95 0.34 0.26 2.32 0.00 -1.26 -1.21 105.19 106.59 8rnt n GLY 34 Ca -0.19 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.14 8rnt n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 8rnt h SER 35 N 0.00 0.33 -0.58 1.61 0.02 -1.97 -1.91 113.55 111.05 8rnt h SER 35 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 8rnt h SER 35 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 8rnt h SER 35 CO 0.00 0.40 0.00 0.59 -1.14 0.00 0.00 176.83 176.68 8rnt n ASN 36 N -4.33 4.61 -3.43 3.07 4.13 -1.26 -5.02 115.26 113.03 8rnt n ASN 36 Ca 0.00 -2.50 -0.29 0.00 1.68 0.00 0.00 54.58 53.47 8rnt n ASN 36 Cb 0.21 -0.58 0.02 0.00 -1.54 0.00 0.00 39.78 37.90 8rnt n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 8rnt n SER 37 N 0.93 -5.91 -4.77 6.41 7.64 -0.72 -4.94 113.62 112.27 8rnt n SER 37 Ca 0.24 -0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.60 8rnt n SER 37 Cb 0.89 -2.48 -0.07 0.00 -1.01 0.00 0.00 64.21 61.54 8rnt n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 8rnt s TYR 38 N -2.03 3.25 0.59 1.43 2.02 -0.35 -3.93 117.35 118.33 8rnt s TYR 38 Ca 0.27 0.17 -0.15 0.00 -0.37 0.00 0.00 57.07 56.99 8rnt s TYR 38 Cb -0.04 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 8rnt s TYR 38 CO 0.86 0.54 1.04 -1.25 -1.57 0.00 0.00 175.55 175.16 8rnt s PRO 39 N -1.82 3.42 0.17 -1.71 0.04 -1.26 -0.30 135.00 133.54 8rnt s PRO 39 Ca 0.23 1.06 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 8rnt s PRO 39 Cb -0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 8rnt s PRO 39 CO 0.15 -0.71 0.29 -3.38 0.04 0.00 0.00 177.00 173.38 8rnt s HIS 40 N -2.66 0.41 0.45 0.56 -3.43 -1.11 -4.91 115.29 104.60 8rnt s HIS 40 Ca 0.61 -0.77 -0.25 0.00 -0.80 0.00 0.00 55.06 53.85 8rnt s HIS 40 Cb -0.14 -0.06 -0.09 0.00 -1.43 0.00 0.00 32.58 30.87 8rnt s HIS 40 CO 0.40 -0.73 1.38 1.63 -2.00 0.00 0.00 174.74 175.42 8rnt n LYS 41 N -0.22 2.13 -4.78 -0.38 4.76 -1.26 -1.05 118.16 117.36 8rnt n LYS 41 Ca -0.07 0.76 -0.33 0.00 -2.87 0.00 0.00 58.31 55.80 8rnt n LYS 41 Cb 0.63 -2.55 -0.15 0.00 -1.84 0.00 0.00 35.03 31.12 8rnt n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 8rnt s TYR 42 N -1.20 2.78 -0.16 2.13 5.04 -0.15 -4.63 117.35 121.16 8rnt s TYR 42 Ca 0.62 -0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 54.46 8rnt s TYR 42 Cb -0.46 -1.84 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 8rnt s TYR 42 CO 0.57 -0.28 -0.03 -0.80 -1.34 0.00 0.00 175.55 173.67 8rnt s ASN 43 N 0.43 4.81 -1.28 4.32 0.01 -1.26 -4.14 114.94 117.83 8rnt s ASN 43 Ca -0.11 -0.13 -0.08 0.00 -0.71 0.00 0.00 52.86 51.83 8rnt s ASN 43 Cb -0.16 -1.79 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 8rnt s ASN 43 CO 0.05 0.16 2.82 -3.20 -1.51 0.00 0.00 177.10 175.42 8rnt n ASN 44 N 3.60 8.02 0.26 -1.22 5.15 -1.26 -4.60 115.26 125.22 8rnt n ASN 44 Ca -0.17 -2.80 0.16 0.00 -0.60 0.00 0.00 54.58 51.17 8rnt n ASN 44 Cb 0.52 -1.46 0.61 0.00 -0.53 0.00 0.00 39.78 38.93 8rnt n ASN 44 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 8rnt h TYR 45 N 4.52 0.00 0.00 1.20 -0.00 -2.00 -1.71 116.97 118.98 8rnt h TYR 45 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.45 8rnt h TYR 45 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.17 8rnt h TYR 45 CO 1.75 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 180.30 8rnt n GLU 46 N -3.03 0.03 -2.58 0.10 -0.58 -1.26 -4.95 120.64 108.38 8rnt n GLU 46 Ca 0.01 0.04 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 8rnt n GLU 46 Cb 0.33 -1.54 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 8rnt n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 8rnt n GLY 47 N 1.39 0.24 3.76 0.62 0.00 -0.64 -5.00 105.19 105.56 8rnt n GLY 47 Ca 0.07 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 8rnt n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 8rnt s PHE 48 N -2.80 2.53 -1.30 1.61 0.08 -1.26 -4.88 117.98 111.96 8rnt s PHE 48 Ca 0.12 1.44 -0.17 0.00 0.12 0.00 0.00 56.93 58.45 8rnt s PHE 48 Cb -0.06 -3.62 0.08 0.00 -0.57 0.00 0.00 43.02 38.86 8rnt s PHE 48 CO 0.15 -2.31 1.75 -3.47 -0.10 0.00 0.00 175.22 171.24 8rnt n ASP 49 N -0.81 4.87 -4.81 1.36 2.03 -1.26 -4.94 116.55 112.98 8rnt n ASP 49 Ca 0.09 -2.92 -0.38 0.00 0.52 0.00 0.00 54.79 52.09 8rnt n ASP 49 Cb 0.46 -1.70 -0.06 0.00 -0.72 0.00 0.00 41.12 39.10 8rnt n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 8rnt s PHE 50 N 3.60 3.73 -2.16 -0.67 0.08 -1.26 -4.96 117.98 116.33 8rnt s PHE 50 Ca 0.51 1.09 0.17 0.00 0.12 0.00 0.00 56.93 58.82 8rnt s PHE 50 Cb 0.04 -2.40 0.55 0.00 -0.57 0.00 0.00 43.02 40.64 8rnt s PHE 50 CO 0.05 0.56 1.42 -1.13 -0.10 0.00 0.00 175.22 176.02 8rnt n SER 51 N 2.03 1.98 -4.49 1.36 3.41 -1.26 -4.86 113.62 111.80 8rnt n SER 51 Ca -0.12 -1.86 -0.30 0.00 -0.26 0.00 0.00 58.87 56.33 8rnt n SER 51 Cb 0.52 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 8rnt n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 8rnt s VAL 52 N -1.63 2.90 0.56 -3.33 0.11 -1.26 -5.13 120.40 112.62 8rnt s VAL 52 Ca 0.30 -1.32 -0.09 0.00 -2.93 0.00 0.00 61.98 57.93 8rnt s VAL 52 Cb 0.16 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 8rnt s VAL 52 CO 0.23 0.21 0.94 -0.94 -3.33 0.00 0.00 175.10 172.20 8rnt s SER 53 N -1.83 6.28 0.91 3.54 1.04 -1.26 -5.03 113.70 117.35 8rnt s SER 53 Ca 0.17 1.25 -0.15 0.00 0.48 0.00 0.00 55.95 57.71 8rnt s SER 53 Cb -0.11 -2.39 0.16 0.00 0.10 0.00 0.00 66.02 63.78 8rnt s SER 53 CO 0.08 -0.74 1.26 -0.94 0.98 0.00 0.00 173.24 173.89 8rnt s SER 54 N -4.05 3.58 0.64 7.02 1.04 -1.26 -4.65 113.70 116.02 8rnt s SER 54 Ca 0.53 0.47 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 8rnt s SER 54 Cb -0.11 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.31 8rnt s SER 54 CO 0.49 -2.46 1.30 -2.84 0.98 0.00 0.00 173.24 170.70 8rnt s PRO 55 N -5.76 2.61 0.23 4.02 0.02 -1.26 -4.82 135.00 130.04 8rnt s PRO 55 Ca 0.69 2.07 0.11 0.00 0.02 0.00 0.00 61.00 63.90 8rnt s PRO 55 Cb -0.07 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 8rnt s PRO 55 CO 0.52 -1.56 -0.20 0.71 -0.33 0.00 0.00 177.00 176.13 8rnt s TYR 56 N -1.39 2.34 -0.01 6.54 2.02 -1.26 -2.43 117.35 123.17 8rnt s TYR 56 Ca 0.82 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 57.21 8rnt s TYR 56 Cb -0.38 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.08 8rnt s TYR 56 CO 0.40 0.59 -0.07 0.71 -1.57 0.00 0.00 175.55 175.60 8rnt s TYR 57 N -2.01 0.68 0.03 2.71 2.02 0.12 -0.97 117.35 119.93 8rnt s TYR 57 Ca 0.25 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 8rnt s TYR 57 Cb -0.07 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 8rnt s TYR 57 CO 0.13 -0.02 0.01 -1.83 -1.57 0.00 0.00 175.55 172.27 8rnt s GLU 58 N -0.13 2.74 -0.09 -0.62 -1.05 -0.21 -1.18 118.70 118.17 8rnt s GLU 58 Ca 0.02 -0.68 -0.07 0.00 -0.15 0.00 0.00 54.97 54.10 8rnt s GLU 58 Cb -0.03 -2.65 0.03 0.00 -0.44 0.00 0.00 34.13 31.04 8rnt s GLU 58 CO -0.00 0.60 0.23 -0.46 0.95 0.00 0.00 175.26 176.57 8rnt s TRP 59 N -1.19 -0.26 0.36 4.83 -0.11 -0.63 -2.77 118.94 119.16 8rnt s TRP 59 Ca 0.22 0.64 -0.27 0.00 1.22 0.00 0.00 56.10 57.91 8rnt s TRP 59 Cb -0.12 0.07 -0.09 0.00 -1.50 0.00 0.00 33.47 31.83 8rnt s TRP 59 CO 0.14 -0.15 1.26 -2.14 -4.62 0.00 0.00 176.95 171.43 8rnt s PRO 60 N 0.46 4.24 -0.12 5.86 0.02 -1.26 -0.74 135.00 143.45 8rnt s PRO 60 Ca -0.03 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.09 8rnt s PRO 60 Cb -0.04 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 8rnt s PRO 60 CO -0.02 -0.24 -0.18 -1.50 -0.33 0.00 0.00 177.00 174.73 8rnt s ILE 61 N -1.22 2.60 -0.02 2.83 2.07 -0.98 -4.54 121.20 121.93 8rnt s ILE 61 Ca 0.52 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 58.91 8rnt s ILE 61 Cb -0.37 -2.06 -0.04 0.00 0.13 0.00 0.00 42.46 40.13 8rnt s ILE 61 CO 0.48 0.54 0.14 -0.76 -1.91 0.00 0.00 174.94 173.42 8rnt s LEU 62 N 0.41 4.17 0.50 8.50 1.43 -1.26 -4.43 118.68 128.01 8rnt s LEU 62 Ca -0.13 0.28 0.16 0.00 -1.03 0.00 0.00 54.13 53.40 8rnt s LEU 62 Cb -0.17 -2.41 1.21 0.00 0.03 0.00 0.00 46.19 44.85 8rnt s LEU 62 CO 0.06 0.28 2.11 0.77 0.23 0.00 0.00 176.35 179.80 8rnt h SER 63 N 4.07 0.00 0.54 2.29 4.64 -1.95 -1.58 113.55 121.55 8rnt h SER 63 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 8rnt h SER 63 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 8rnt h SER 63 CO 0.65 0.05 -0.06 0.77 -0.87 0.00 0.00 176.83 177.37 8rnt h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.97 -3.47 113.55 117.72 8rnt h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 8rnt h SER 64 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 8rnt h SER 64 CO 0.01 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 8rnt n GLY 65 N -0.47 0.88 3.82 -0.77 0.00 -0.60 -5.06 105.19 103.00 8rnt n GLY 65 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 8rnt n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 8rnt s ASP 66 N -2.52 6.27 0.19 1.61 1.01 -1.26 -4.99 116.67 116.99 8rnt s ASP 66 Ca 0.00 1.69 -0.24 0.00 0.71 0.00 0.00 52.55 54.72 8rnt s ASP 66 Cb 0.00 -2.52 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 8rnt s ASP 66 CO 0.00 -0.83 0.77 -0.69 0.21 0.00 0.00 175.17 174.63 8rnt s VAL 67 N -2.51 4.42 0.22 -1.27 1.01 -1.26 -4.21 120.40 116.80 8rnt s VAL 67 Ca 0.61 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.87 8rnt s VAL 67 Cb -0.13 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 8rnt s VAL 67 CO 0.33 0.41 1.58 -0.47 0.00 0.00 0.00 175.10 176.95 8rnt s TYR 68 N -1.28 2.94 -0.00 5.22 5.04 -1.26 -4.89 117.35 123.12 8rnt s TYR 68 Ca 0.38 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 8rnt s TYR 68 Cb -0.21 -3.98 0.01 0.00 0.35 0.00 0.00 41.96 38.12 8rnt s TYR 68 CO 0.24 -3.48 0.78 -1.13 -1.34 0.00 0.00 175.55 170.63 8rnt n SER 69 N 3.17 1.09 0.00 4.32 3.41 -1.26 -5.07 113.62 119.28 8rnt n SER 69 Ca 0.11 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 8rnt n SER 69 Cb 0.38 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 8rnt n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 8rnt n GLY 70 N -0.29 1.36 2.62 5.00 0.00 -1.26 -4.68 105.19 107.94 8rnt n GLY 70 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 8rnt n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 8rnt n GLY 71 N -1.13 -2.40 3.70 -0.02 0.00 -1.26 -4.81 105.19 99.28 8rnt n GLY 71 Ca 0.00 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 8rnt n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 8rnt s SER 72 N -2.90 6.75 0.00 1.61 0.15 -1.26 -4.76 113.70 113.29 8rnt s SER 72 Ca 0.00 2.34 0.28 0.00 0.70 0.00 0.00 55.95 59.27 8rnt s SER 72 Cb 0.00 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.81 8rnt s SER 72 CO 0.00 -0.74 1.78 -0.81 1.20 0.00 0.00 173.24 174.67 8rnt n PRO 73 N 4.69 0.31 0.00 5.44 -0.04 -1.26 -5.03 135.00 139.11 8rnt n PRO 73 Ca 0.13 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 8rnt n PRO 73 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 8rnt n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 8rnt n GLY 74 N 1.40 -1.47 0.24 0.55 0.00 -1.26 -4.41 105.19 100.23 8rnt n GLY 74 Ca 0.10 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.97 8rnt n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8rnt n ALA 75 N 0.26 3.59 -2.88 4.61 0.00 -1.26 -5.00 120.51 119.82 8rnt n ALA 75 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 8rnt n ALA 75 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 8rnt n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 8rnt s ASP 76 N -2.21 6.24 0.01 0.00 1.01 -1.26 -1.13 116.67 119.34 8rnt s ASP 76 Ca 0.11 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.68 8rnt s ASP 76 Cb 0.13 -1.93 -0.01 0.00 1.01 0.00 0.00 42.92 42.12 8rnt s ASP 76 CO 0.52 0.26 -0.02 -0.13 0.21 0.00 0.00 175.17 176.02 8rnt s ARG 77 N -1.91 0.22 0.05 8.23 1.81 0.14 -2.32 118.95 125.17 8rnt s ARG 77 Ca 0.27 -0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 53.80 8rnt s ARG 77 Cb -0.12 0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 34.40 8rnt s ARG 77 CO 0.18 -0.03 0.28 0.14 -0.68 0.00 0.00 175.30 175.19 8rnt s VAL 78 N -1.03 5.29 -0.12 3.52 -7.23 0.08 -0.93 120.40 119.98 8rnt s VAL 78 Ca -0.11 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 8rnt s VAL 78 Cb -0.07 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.28 8rnt s VAL 78 CO -0.01 0.23 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.11 8rnt s VAL 79 N -1.44 2.26 0.26 1.32 1.01 0.17 -1.61 120.40 122.37 8rnt s VAL 79 Ca 0.33 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.42 8rnt s VAL 79 Cb -0.13 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 8rnt s VAL 79 CO 0.21 0.55 -0.03 0.72 0.00 0.00 0.00 175.10 176.54 8rnt s PHE 80 N 0.51 1.77 0.26 5.22 -0.12 -0.32 -0.41 117.98 124.88 8rnt s PHE 80 Ca -0.14 -0.80 0.03 0.00 -0.05 0.00 0.00 56.93 55.97 8rnt s PHE 80 Cb -0.17 -1.02 0.03 0.00 -0.63 0.00 0.00 43.02 41.23 8rnt s PHE 80 CO 0.05 0.13 0.24 0.27 -0.05 0.00 0.00 175.22 175.86 8rnt n ASN 81 N -0.51 1.59 0.29 1.98 6.94 -0.63 0.14 115.26 125.06 8rnt n ASN 81 Ca -0.05 -1.84 0.15 0.00 -0.02 0.00 0.00 54.58 52.82 8rnt n ASN 81 Cb 0.64 -0.07 0.86 0.00 -2.36 0.00 0.00 39.78 38.84 8rnt n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 8rnt h GLU 82 N 0.00 0.00 -0.66 -3.83 4.57 -1.74 -0.96 114.58 111.96 8rnt h GLU 82 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 8rnt h GLU 82 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 8rnt h GLU 82 CO 0.23 0.06 0.00 0.09 -1.18 0.00 0.00 179.01 178.21 8rnt n ASN 83 N -3.61 3.97 -3.34 1.04 4.13 -1.26 -4.92 115.26 111.26 8rnt n ASN 83 Ca -0.02 -2.49 -0.23 0.00 1.68 0.00 0.00 54.58 53.52 8rnt n ASN 83 Cb 0.17 -0.56 0.07 0.00 -1.54 0.00 0.00 39.78 37.91 8rnt n ASN 83 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 8rnt n ASN 84 N 0.60 -6.19 -4.69 6.41 4.05 -0.37 -5.00 115.26 110.07 8rnt n ASN 84 Ca 0.19 -0.46 -0.34 0.00 0.45 0.00 0.00 54.58 54.42 8rnt n ASN 84 Cb 0.80 -4.86 -0.09 0.00 1.23 0.00 0.00 39.78 36.86 8rnt n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 8rnt s GLN 85 N -6.12 2.95 0.09 1.20 -0.21 -1.26 -4.89 119.66 111.41 8rnt s GLN 85 Ca 0.50 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 55.12 8rnt s GLN 85 Cb -0.22 -2.78 -0.06 0.00 1.00 0.00 0.00 33.01 30.96 8rnt s GLN 85 CO 0.62 0.68 1.17 -1.17 -2.12 0.00 0.00 175.29 174.47 8rnt s LEU 86 N -1.12 4.40 -0.24 2.90 2.96 -1.26 -1.61 118.68 124.70 8rnt s LEU 86 Ca 0.16 2.02 -0.16 0.00 -0.22 0.00 0.00 54.13 55.93 8rnt s LEU 86 Cb -0.11 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.83 8rnt s LEU 86 CO 0.05 -0.41 -0.09 0.00 -1.32 0.00 0.00 176.35 174.59 8rnt n ALA 87 N 3.56 1.03 0.00 5.97 0.00 0.45 -4.84 120.51 126.67 8rnt n ALA 87 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.68 8rnt n ALA 87 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.72 8rnt n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8rnt n GLY 88 N 1.41 -1.29 3.10 0.00 0.00 -1.08 -4.72 105.19 102.62 8rnt n GLY 88 Ca -0.44 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 8rnt n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8rnt s VAL 89 N -2.06 1.89 0.30 1.61 1.01 -1.26 -0.65 120.40 121.24 8rnt s VAL 89 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.16 8rnt s VAL 89 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 8rnt s VAL 89 CO 0.00 0.51 0.07 0.27 0.00 0.00 0.00 175.10 175.95 8rnt s ILE 90 N 1.21 1.00 0.03 2.22 -4.36 -0.10 -1.60 121.20 119.60 8rnt s ILE 90 Ca 0.01 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.22 8rnt s ILE 90 Cb -0.14 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 40.87 8rnt s ILE 90 CO -0.09 -0.01 0.41 0.28 0.24 0.00 0.00 174.94 175.77 8rnt s THR 91 N -3.43 0.05 -0.38 8.37 -1.32 0.19 0.24 115.64 119.37 8rnt s THR 91 Ca 0.37 -0.44 0.23 0.00 -1.21 0.00 0.00 61.69 60.64 8rnt s THR 91 Cb 0.08 -0.90 0.23 0.00 -1.51 0.00 0.00 72.50 70.40 8rnt s THR 91 CO 0.15 -0.24 1.43 0.45 -2.21 0.00 0.00 174.62 174.19 8rnt h HIS 92 N 3.16 0.00 -2.56 9.09 3.86 -1.35 0.13 115.15 127.49 8rnt h HIS 92 Ca -0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 8rnt h HIS 92 Cb 1.20 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.70 8rnt h HIS 92 CO 0.43 0.00 1.10 0.99 0.86 0.00 0.00 177.93 181.31 8rnt s THR 93 N -3.26 2.73 -0.22 2.45 2.01 -1.26 -1.76 115.64 116.33 8rnt s THR 93 Ca 0.05 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.21 8rnt s THR 93 Cb 0.07 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.47 8rnt s THR 93 CO 0.71 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.25 8rnt n GLY 94 N 4.21 0.55 3.17 4.40 0.00 -1.26 -4.74 105.19 111.53 8rnt n GLY 94 Ca 0.17 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 8rnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8rnt s ALA 95 N -2.00 1.34 0.38 4.61 0.00 -0.72 -4.94 121.76 120.43 8rnt s ALA 95 Ca 0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 8rnt s ALA 95 Cb 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 8rnt s ALA 95 CO 0.00 0.27 1.04 -1.54 0.00 0.00 0.00 175.76 175.53 8rnt s SER 96 N -1.13 6.87 0.63 0.00 1.04 -1.26 -4.77 113.70 115.09 8rnt s SER 96 Ca 0.03 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.49 8rnt s SER 96 Cb -0.08 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.45 8rnt s SER 96 CO 0.01 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.43 8rnt n GLY 97 N 0.42 2.89 0.96 7.32 0.00 -1.26 -1.20 105.19 114.32 8rnt n GLY 97 Ca 0.04 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.11 8rnt n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 8rnt n ASN 98 N 2.35 2.76 -4.33 1.61 3.02 -1.26 -4.95 115.26 114.46 8rnt n ASN 98 Ca 0.00 -2.20 -0.30 0.00 -0.03 0.00 0.00 54.58 52.06 8rnt n ASN 98 Cb 0.00 -0.40 0.17 0.00 -0.61 0.00 0.00 39.78 38.94 8rnt n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 8rnt s ASN 99 N -0.79 2.98 0.21 6.41 0.01 -0.34 -5.04 114.94 118.39 8rnt s ASN 99 Ca 0.29 0.56 0.00 0.00 -0.71 0.00 0.00 52.86 53.00 8rnt s ASN 99 Cb 0.18 -0.83 -0.05 0.00 0.41 0.00 0.00 41.25 40.97 8rnt s ASN 99 CO 0.15 -2.84 0.09 -0.36 -1.51 0.00 0.00 177.10 172.63 8rnt s PHE 100 N -3.54 1.29 0.16 2.20 0.08 -1.26 -4.47 117.98 112.44 8rnt s PHE 100 Ca 0.69 -1.23 0.03 0.00 0.12 0.00 0.00 56.93 56.54 8rnt s PHE 100 Cb -0.08 -0.71 -0.05 0.00 -0.57 0.00 0.00 43.02 41.61 8rnt s PHE 100 CO 0.53 -0.44 -0.03 0.14 -0.10 0.00 0.00 175.22 175.32 8rnt s VAL 101 N -3.91 0.82 0.28 -0.44 -7.23 0.44 -4.95 120.40 105.41 8rnt s VAL 101 Ca 0.35 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 8rnt s VAL 101 Cb 0.07 -2.03 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 8rnt s VAL 101 CO 0.10 -0.57 0.64 -1.61 -0.31 0.00 0.00 175.10 173.35 8rnt s GLU 102 N -3.86 3.87 0.52 4.82 2.02 -1.26 -0.63 118.70 124.18 8rnt s GLU 102 Ca 0.21 0.43 -0.18 0.00 0.02 0.00 0.00 54.97 55.45 8rnt s GLU 102 Cb 0.05 -2.54 -0.07 0.00 0.10 0.00 0.00 34.13 31.67 8rnt s GLU 102 CO 0.03 0.23 1.03 0.00 0.02 0.00 0.00 175.26 176.57