#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9rnt h ASP 3 N 5.52 0.26 -3.64 0.00 3.32 -1.10 -3.45 116.42 117.33 9rnt h ASP 3 Ca -0.48 -0.20 -0.24 0.00 0.02 0.00 0.00 57.03 56.13 9rnt h ASP 3 Cb 1.20 -0.08 -0.30 0.00 0.22 0.00 0.00 39.33 40.38 9rnt h ASP 3 CO 0.66 0.97 -0.67 -0.31 -1.72 0.00 0.00 179.24 178.18 9rnt s TYR 4 N -3.31 -0.05 -0.16 4.55 1.51 -0.60 -4.96 117.35 114.32 9rnt s TYR 4 Ca -0.03 0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 9rnt s TYR 4 Cb 0.10 -0.06 0.03 0.00 -0.11 0.00 0.00 41.96 41.92 9rnt s TYR 4 CO 0.82 -0.06 -0.14 0.99 -1.11 0.00 0.00 175.55 176.05 9rnt s THR 5 N 0.46 1.59 -0.36 -0.71 2.01 -1.26 -0.67 115.64 116.71 9rnt s THR 5 Ca -0.04 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.26 9rnt s THR 5 Cb -0.05 -1.53 0.10 0.00 0.01 0.00 0.00 72.50 71.03 9rnt s THR 5 CO -0.02 0.41 0.11 0.00 -0.69 0.00 0.00 174.62 174.43 9rnt n GLY 7 N 4.46 2.67 0.49 0.00 0.00 -1.26 -0.76 105.19 110.79 9rnt n GLY 7 Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.97 9rnt n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 9rnt n SER 8 N 9.72 2.52 -4.78 1.61 3.41 -1.26 -4.97 113.62 119.87 9rnt n SER 8 Ca 0.00 -1.85 -0.39 0.00 -0.26 0.00 0.00 58.87 56.37 9rnt n SER 8 Cb 0.00 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 9rnt n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 9rnt s ASN 9 N -0.94 7.11 -0.14 4.04 0.01 0.06 -5.05 114.94 120.03 9rnt s ASN 9 Ca 0.17 1.32 -0.01 0.00 -0.71 0.00 0.00 52.86 53.63 9rnt s ASN 9 Cb 0.09 -2.40 -0.01 0.00 0.41 0.00 0.00 41.25 39.34 9rnt s ASN 9 CO 0.13 0.16 -0.11 0.00 -1.51 0.00 0.00 177.10 175.76 9rnt s TYR 11 N 0.50 1.80 0.37 0.00 2.02 0.16 -5.03 117.35 117.17 9rnt s TYR 11 Ca -0.08 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.30 9rnt s TYR 11 Cb -0.15 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 9rnt s TYR 11 CO 0.04 0.06 0.53 -1.54 -1.57 0.00 0.00 175.55 173.07 9rnt s SER 12 N -1.03 5.93 0.43 2.29 1.04 -1.26 -0.44 113.70 120.66 9rnt s SER 12 Ca 0.07 -0.06 0.13 0.00 0.48 0.00 0.00 55.95 56.58 9rnt s SER 12 Cb -0.09 -1.31 1.01 0.00 0.10 0.00 0.00 66.02 65.74 9rnt s SER 12 CO 0.01 -0.51 1.99 0.28 0.98 0.00 0.00 173.24 175.99 9rnt h SER 13 N 0.75 0.37 -0.75 7.02 0.02 -1.97 -1.35 113.55 117.65 9rnt h SER 13 Ca -0.46 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 9rnt h SER 13 Cb 1.26 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 9rnt h SER 13 CO 0.54 0.23 0.42 0.77 -1.14 0.00 0.00 176.83 177.65 9rnt h SER 14 N 0.42 0.94 -0.65 3.07 4.64 -1.99 0.78 113.55 120.75 9rnt h SER 14 Ca 0.26 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.51 9rnt h SER 14 Cb 0.46 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 9rnt h SER 14 CO -0.07 0.76 0.41 0.44 -0.87 0.00 0.00 176.83 177.50 9rnt h ASP 15 N 1.04 0.68 -0.19 4.97 3.32 -1.64 -1.73 116.42 122.86 9rnt h ASP 15 Ca 0.27 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 9rnt h ASP 15 Cb 0.03 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.43 9rnt h ASP 15 CO -0.04 0.47 -0.36 0.58 -1.72 0.00 0.00 179.24 178.17 9rnt h VAL 16 N 0.81 1.33 -0.85 -1.35 2.07 -0.93 -1.92 116.25 115.42 9rnt h VAL 16 Ca 0.26 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 9rnt h VAL 16 Cb -0.00 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 9rnt h VAL 16 CO -0.10 0.49 0.45 0.28 0.02 0.00 0.00 177.57 178.71 9rnt h SER 17 N 0.25 1.08 0.01 0.57 0.02 -0.70 0.64 113.55 115.41 9rnt h SER 17 Ca 0.01 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 9rnt h SER 17 Cb 0.96 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.22 9rnt h SER 17 CO 0.08 0.88 -0.00 0.74 -1.14 0.00 0.00 176.83 177.39 9rnt h THR 18 N 1.19 1.15 -0.49 -2.27 2.02 -1.29 -0.73 112.91 112.49 9rnt h THR 18 Ca 0.30 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 9rnt h THR 18 Cb 0.06 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 9rnt h THR 18 CO -0.04 0.12 0.09 0.00 0.37 0.00 0.00 175.52 176.05 9rnt h ALA 19 N 0.78 0.64 -0.79 6.16 0.00 -0.99 -2.74 119.26 122.33 9rnt h ALA 19 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 9rnt h ALA 19 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 9rnt h ALA 19 CO 0.00 0.36 0.36 0.37 0.00 0.00 0.00 179.25 180.35 9rnt h GLN 20 N 0.67 1.15 -0.93 0.00 4.15 -0.78 -1.57 115.11 117.80 9rnt h GLN 20 Ca 0.15 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 9rnt h GLN 20 Cb 0.37 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 9rnt h GLN 20 CO 0.01 0.91 0.53 0.00 -1.93 0.00 0.00 178.83 178.34 9rnt h ALA 21 N 1.19 1.18 -0.10 3.38 0.00 -0.92 0.17 119.26 124.16 9rnt h ALA 21 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 9rnt h ALA 21 Cb 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 9rnt h ALA 21 CO -0.03 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.91 9rnt h ALA 22 N 1.29 0.13 -0.62 0.00 0.00 -1.18 -1.61 119.26 117.27 9rnt h ALA 22 Ca 0.33 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 9rnt h ALA 22 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 9rnt h ALA 22 CO -0.06 -0.24 0.13 0.78 0.00 0.00 0.00 179.25 179.86 9rnt h GLY 23 N -0.05 1.09 1.22 0.00 0.00 -1.01 -2.74 103.07 101.59 9rnt h GLY 23 Ca 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 9rnt h GLY 23 CO 0.00 0.65 -0.27 -1.82 0.00 0.00 0.00 176.54 175.10 9rnt h TYR 24 N 0.93 1.02 -0.63 5.60 3.20 -0.59 -1.82 116.97 124.68 9rnt h TYR 24 Ca 0.19 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 9rnt h TYR 24 Cb 0.38 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 9rnt h TYR 24 CO 0.03 1.04 0.34 -0.22 -1.64 0.00 0.00 178.16 177.71 9rnt h LYS 25 N 0.75 0.88 -0.49 1.82 3.64 -1.20 -0.41 116.57 121.56 9rnt h LYS 25 Ca 0.09 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 9rnt h LYS 25 Cb 0.83 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 9rnt h LYS 25 CO 0.07 0.67 0.11 -0.07 -2.27 0.00 0.00 179.45 177.96 9rnt h LEU 26 N 0.85 0.69 -0.34 5.20 -0.00 -1.19 -0.60 115.31 119.93 9rnt h LEU 26 Ca 0.22 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 9rnt h LEU 26 Cb 0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 9rnt h LEU 26 CO -0.03 0.69 0.13 -0.74 -0.00 0.00 0.00 178.44 178.48 9rnt h HIS 27 N 0.72 0.52 -0.49 1.13 2.76 -0.38 -1.31 115.15 118.09 9rnt h HIS 27 Ca 0.16 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 9rnt h HIS 27 Cb 0.28 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 9rnt h HIS 27 CO 0.01 0.49 0.10 0.93 -1.30 0.00 0.00 177.93 178.16 9rnt h GLU 28 N 0.40 0.75 0.00 5.26 5.08 -0.73 -2.66 114.58 122.68 9rnt h GLU 28 Ca 0.11 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 9rnt h GLU 28 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 9rnt h GLU 28 CO -0.01 0.70 0.00 -0.25 -1.00 0.00 0.00 179.01 178.45 9rnt n ASP 29 N -4.28 0.00 -2.31 1.42 8.00 -0.27 -4.91 116.55 114.20 9rnt n ASP 29 Ca 0.03 -0.33 -0.18 0.00 0.71 0.00 0.00 54.79 55.03 9rnt n ASP 29 Cb 0.23 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 41.13 9rnt n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 9rnt n GLY 30 N 1.13 -0.31 3.52 0.44 0.00 -0.64 -5.01 105.19 104.33 9rnt n GLY 30 Ca 0.16 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 9rnt n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 9rnt s GLU 31 N -5.28 1.88 0.11 1.61 0.41 -0.59 -5.06 118.70 111.79 9rnt s GLU 31 Ca 0.17 -1.50 -0.02 0.00 -0.41 0.00 0.00 54.97 53.20 9rnt s GLU 31 Cb -0.07 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.27 9rnt s GLU 31 CO 0.21 0.38 0.07 0.95 -0.49 0.00 0.00 175.26 176.38 9rnt s THR 32 N -2.06 0.13 0.08 3.63 -4.23 -1.26 -4.44 115.64 107.49 9rnt s THR 32 Ca 0.27 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 9rnt s THR 32 Cb -0.07 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 9rnt s THR 32 CO 0.15 -0.59 -0.07 0.68 -0.54 0.00 0.00 174.62 174.25 9rnt s VAL 33 N -4.00 0.61 0.00 2.29 -7.23 0.53 -4.89 120.40 107.72 9rnt s VAL 33 Ca 0.18 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 9rnt s VAL 33 Cb 0.07 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.64 9rnt s VAL 33 CO -0.02 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 9rnt n GLY 34 N 0.38 0.15 0.25 2.32 0.00 -1.26 -1.13 105.19 105.90 9rnt n GLY 34 Ca -0.15 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.34 9rnt n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 9rnt h SER 35 N 0.00 0.00 -0.58 1.61 0.02 -1.98 -1.82 113.55 110.80 9rnt h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 9rnt h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 9rnt h SER 35 CO 0.00 0.12 0.00 0.59 -1.14 0.00 0.00 176.83 176.40 9rnt n ASN 36 N -3.99 5.32 -3.54 3.07 4.13 -1.26 -5.00 115.26 113.98 9rnt n ASN 36 Ca -0.02 -2.78 -0.32 0.00 1.68 0.00 0.00 54.58 53.14 9rnt n ASN 36 Cb 0.21 -0.64 0.03 0.00 -1.54 0.00 0.00 39.78 37.83 9rnt n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 9rnt n SER 37 N 0.73 -5.51 -4.87 6.41 7.64 -0.68 -4.93 113.62 112.41 9rnt n SER 37 Ca 0.27 -0.35 -0.32 0.00 1.01 0.00 0.00 58.87 59.48 9rnt n SER 37 Cb 1.08 -1.96 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 9rnt n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 9rnt s TYR 38 N -2.01 3.44 0.60 1.43 2.02 -0.28 -3.92 117.35 118.63 9rnt s TYR 38 Ca 0.26 0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 57.04 9rnt s TYR 38 Cb -0.03 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 9rnt s TYR 38 CO 0.87 0.58 1.05 -1.25 -1.57 0.00 0.00 175.55 175.23 9rnt s PRO 39 N -2.30 3.35 0.19 -1.71 0.04 -1.26 -0.34 135.00 132.96 9rnt s PRO 39 Ca 0.31 1.10 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 9rnt s PRO 39 Cb -0.13 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 9rnt s PRO 39 CO 0.24 -0.78 0.31 -3.38 0.04 0.00 0.00 177.00 173.42 9rnt s HIS 40 N -2.62 0.49 0.46 0.56 -3.43 -1.07 -4.93 115.29 104.75 9rnt s HIS 40 Ca 0.61 -0.83 -0.25 0.00 -0.80 0.00 0.00 55.06 53.79 9rnt s HIS 40 Cb -0.15 -0.07 -0.08 0.00 -1.43 0.00 0.00 32.58 30.86 9rnt s HIS 40 CO 0.40 -0.77 1.43 0.15 -2.00 0.00 0.00 174.74 173.95 9rnt s LYS 41 N -4.00 3.63 -0.16 -0.38 -0.14 -1.26 -0.59 119.74 116.83 9rnt s LYS 41 Ca 0.21 2.42 -0.03 0.00 -1.36 0.00 0.00 55.97 57.21 9rnt s LYS 41 Cb 0.03 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.53 9rnt s LYS 41 CO 0.03 -0.86 -0.06 -0.47 -0.76 0.00 0.00 175.35 173.24 9rnt s TYR 42 N -1.21 2.97 -0.20 3.18 5.04 0.04 -4.64 117.35 122.54 9rnt s TYR 42 Ca 0.62 -0.43 -0.06 0.00 -2.44 0.00 0.00 57.07 54.76 9rnt s TYR 42 Cb -0.44 -1.95 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 9rnt s TYR 42 CO 0.56 -0.13 0.02 -0.80 -1.34 0.00 0.00 175.55 173.87 9rnt s ASN 43 N 0.48 5.11 -0.53 4.32 0.01 -1.26 -4.21 114.94 118.86 9rnt s ASN 43 Ca -0.05 -0.11 -0.05 0.00 -0.71 0.00 0.00 52.86 51.94 9rnt s ASN 43 Cb -0.15 -1.88 -0.06 0.00 0.41 0.00 0.00 41.25 39.58 9rnt s ASN 43 CO 0.03 0.09 3.03 -3.20 -1.51 0.00 0.00 177.10 175.54 9rnt n ASN 44 N 4.06 6.49 0.28 -1.22 5.15 -1.26 -4.63 115.26 124.12 9rnt n ASN 44 Ca -0.17 -2.89 0.15 0.00 -0.60 0.00 0.00 54.58 51.06 9rnt n ASN 44 Cb 0.52 -1.34 0.79 0.00 -0.53 0.00 0.00 39.78 39.22 9rnt n ASN 44 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 9rnt h TYR 45 N 3.40 0.00 0.00 1.20 -0.00 -2.00 -0.97 116.97 118.61 9rnt h TYR 45 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.14 9rnt h TYR 45 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 9rnt h TYR 45 CO 1.63 0.09 0.00 0.39 -0.00 0.00 0.00 178.16 180.27 9rnt n GLU 46 N -3.52 0.02 -2.28 0.10 -0.58 -1.26 -4.93 120.64 108.18 9rnt n GLU 46 Ca -0.02 0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.76 9rnt n GLU 46 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 9rnt n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 9rnt n GLY 47 N 0.90 0.22 3.76 0.62 0.00 -0.37 -4.98 105.19 105.35 9rnt n GLY 47 Ca 0.06 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 9rnt n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 9rnt s PHE 48 N -2.49 2.63 -1.37 1.61 0.08 -1.26 -4.84 117.98 112.34 9rnt s PHE 48 Ca 0.04 1.37 -0.16 0.00 0.12 0.00 0.00 56.93 58.31 9rnt s PHE 48 Cb -0.02 -3.74 0.06 0.00 -0.57 0.00 0.00 43.02 38.76 9rnt s PHE 48 CO 0.05 -2.42 1.96 -3.47 -0.10 0.00 0.00 175.22 171.24 9rnt n ASP 49 N -0.21 4.46 -4.80 1.36 2.03 -1.26 -4.96 116.55 113.18 9rnt n ASP 49 Ca 0.06 -2.89 -0.37 0.00 0.52 0.00 0.00 54.79 52.10 9rnt n ASP 49 Cb 0.44 -1.69 -0.06 0.00 -0.72 0.00 0.00 41.12 39.09 9rnt n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 9rnt s PHE 50 N 3.48 3.72 -2.45 -0.67 0.08 -1.26 -4.96 117.98 115.92 9rnt s PHE 50 Ca 0.50 1.57 0.23 0.00 0.12 0.00 0.00 56.93 59.34 9rnt s PHE 50 Cb 0.09 -2.75 0.65 0.00 -0.57 0.00 0.00 43.02 40.44 9rnt s PHE 50 CO -0.00 0.33 1.51 -1.13 -0.10 0.00 0.00 175.22 175.83 9rnt n SER 51 N 0.84 2.25 -4.56 1.36 3.41 -1.26 -4.88 113.62 110.78 9rnt n SER 51 Ca -0.02 -1.78 -0.30 0.00 -0.26 0.00 0.00 58.87 56.51 9rnt n SER 51 Cb 0.50 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.24 9rnt n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 9rnt s VAL 52 N -1.77 3.28 0.60 -3.33 0.11 -1.26 -5.13 120.40 112.89 9rnt s VAL 52 Ca 0.34 -1.32 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 9rnt s VAL 52 Cb 0.20 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 9rnt s VAL 52 CO 0.29 0.10 0.99 -0.94 -3.33 0.00 0.00 175.10 172.21 9rnt s SER 53 N -2.21 6.21 0.92 3.54 1.04 -1.26 -5.03 113.70 116.91 9rnt s SER 53 Ca 0.21 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.82 9rnt s SER 53 Cb -0.11 -2.41 0.18 0.00 0.10 0.00 0.00 66.02 63.77 9rnt s SER 53 CO 0.13 -0.83 1.27 -0.94 0.98 0.00 0.00 173.24 173.85 9rnt s SER 54 N -4.17 3.43 0.75 7.02 1.04 -1.26 -4.67 113.70 115.83 9rnt s SER 54 Ca 0.54 0.28 -0.15 0.00 0.48 0.00 0.00 55.95 57.10 9rnt s SER 54 Cb -0.11 -0.42 0.05 0.00 0.10 0.00 0.00 66.02 65.64 9rnt s SER 54 CO 0.52 -2.53 1.23 -2.84 0.98 0.00 0.00 173.24 170.60 9rnt s PRO 55 N -5.78 2.00 0.20 4.02 0.02 -1.26 -4.81 135.00 129.40 9rnt s PRO 55 Ca 0.72 1.83 0.11 0.00 0.02 0.00 0.00 61.00 63.67 9rnt s PRO 55 Cb -0.05 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 9rnt s PRO 55 CO 0.52 -1.96 -0.22 0.71 -0.33 0.00 0.00 177.00 175.72 9rnt s TYR 56 N -1.93 2.35 0.01 6.54 2.02 -1.26 -2.23 117.35 122.85 9rnt s TYR 56 Ca 0.76 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 9rnt s TYR 56 Cb -0.31 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 9rnt s TYR 56 CO 0.46 0.52 -0.04 0.71 -1.57 0.00 0.00 175.55 175.63 9rnt s TYR 57 N -1.73 0.34 0.00 2.71 2.02 0.43 -0.78 117.35 120.35 9rnt s TYR 57 Ca 0.22 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 9rnt s TYR 57 Cb -0.08 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 9rnt s TYR 57 CO 0.11 -0.03 0.03 -1.83 -1.57 0.00 0.00 175.55 172.26 9rnt s GLU 58 N -0.38 2.87 -0.08 -0.62 -1.05 0.24 -1.31 118.70 118.36 9rnt s GLU 58 Ca -0.02 -0.58 -0.07 0.00 -0.15 0.00 0.00 54.97 54.15 9rnt s GLU 58 Cb -0.03 -2.73 0.02 0.00 -0.44 0.00 0.00 34.13 30.95 9rnt s GLU 58 CO -0.00 0.63 0.21 -0.46 0.95 0.00 0.00 175.26 176.59 9rnt s TRP 59 N -1.14 -0.24 0.38 4.83 -0.11 -0.32 -2.60 118.94 119.74 9rnt s TRP 59 Ca 0.21 0.58 -0.26 0.00 1.22 0.00 0.00 56.10 57.85 9rnt s TRP 59 Cb -0.12 0.08 -0.09 0.00 -1.50 0.00 0.00 33.47 31.85 9rnt s TRP 59 CO 0.12 -0.11 1.16 -2.14 -4.62 0.00 0.00 176.95 171.35 9rnt s PRO 60 N 0.13 4.17 -0.13 5.86 0.02 -1.26 -1.12 135.00 142.67 9rnt s PRO 60 Ca -0.00 1.82 0.02 0.00 0.02 0.00 0.00 61.00 62.86 9rnt s PRO 60 Cb -0.02 -2.76 -0.00 0.00 0.02 0.00 0.00 34.50 31.74 9rnt s PRO 60 CO 0.00 -0.22 -0.18 -1.50 -0.33 0.00 0.00 177.00 174.78 9rnt s ILE 61 N -1.39 2.54 -0.13 2.83 2.07 -0.82 -4.54 121.20 121.76 9rnt s ILE 61 Ca 0.55 -0.84 -0.07 0.00 -1.41 0.00 0.00 60.65 58.88 9rnt s ILE 61 Cb -0.30 -2.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.21 9rnt s ILE 61 CO 0.39 0.54 0.13 -0.76 -1.91 0.00 0.00 174.94 173.32 9rnt s LEU 62 N 0.49 4.31 0.54 8.50 1.43 -1.26 -4.34 118.68 128.35 9rnt s LEU 62 Ca -0.12 0.41 0.20 0.00 -1.03 0.00 0.00 54.13 53.59 9rnt s LEU 62 Cb -0.16 -2.06 1.42 0.00 0.03 0.00 0.00 46.19 45.42 9rnt s LEU 62 CO 0.05 0.37 2.17 0.77 0.23 0.00 0.00 176.35 179.94 9rnt h SER 63 N 5.28 0.00 0.73 2.29 4.64 -1.95 -0.90 113.55 123.65 9rnt h SER 63 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 9rnt h SER 63 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 9rnt h SER 63 CO 0.61 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.34 9rnt h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.97 -3.46 113.55 117.72 9rnt h SER 64 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 9rnt h SER 64 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 9rnt h SER 64 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 9rnt n GLY 65 N -0.16 1.33 3.81 -0.77 0.00 -0.34 -5.06 105.19 104.01 9rnt n GLY 65 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 9rnt n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 9rnt s ASP 66 N -2.22 6.06 0.29 1.61 1.01 -1.26 -4.99 116.67 117.17 9rnt s ASP 66 Ca 0.00 1.76 -0.23 0.00 0.71 0.00 0.00 52.55 54.78 9rnt s ASP 66 Cb 0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 9rnt s ASP 66 CO 0.00 -0.98 0.86 -0.69 0.21 0.00 0.00 175.17 174.57 9rnt s VAL 67 N -2.47 4.36 0.23 -1.27 1.01 -1.26 -4.29 120.40 116.72 9rnt s VAL 67 Ca 0.63 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.89 9rnt s VAL 67 Cb -0.14 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 9rnt s VAL 67 CO 0.34 0.14 1.50 -0.47 0.00 0.00 0.00 175.10 176.61 9rnt s TYR 68 N -1.61 2.99 -0.00 5.22 5.04 -1.26 -4.87 117.35 122.85 9rnt s TYR 68 Ca 0.48 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.99 9rnt s TYR 68 Cb -0.17 -3.89 0.01 0.00 0.35 0.00 0.00 41.96 38.26 9rnt s TYR 68 CO 0.22 -3.02 0.68 -1.13 -1.34 0.00 0.00 175.55 170.96 9rnt n SER 69 N 2.81 0.39 0.00 4.32 3.41 -1.26 -5.06 113.62 118.23 9rnt n SER 69 Ca 0.09 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 9rnt n SER 69 Cb 0.39 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 9rnt n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 9rnt n GLY 70 N -0.13 1.75 5.64 5.00 0.00 -1.26 -4.67 105.19 111.52 9rnt n GLY 70 Ca 0.01 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.01 9rnt n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9rnt n GLY 71 N -1.61 -1.82 3.73 -0.02 0.00 -1.26 -4.81 105.19 99.40 9rnt n GLY 71 Ca 0.00 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 9rnt n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 9rnt s SER 72 N -4.00 6.90 0.00 1.61 0.15 -1.26 -4.75 113.70 112.34 9rnt s SER 72 Ca 0.00 2.34 0.27 0.00 0.70 0.00 0.00 55.95 59.26 9rnt s SER 72 Cb 0.00 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.60 9rnt s SER 72 CO 0.00 -0.55 1.66 -0.81 1.20 0.00 0.00 173.24 174.74 9rnt n PRO 73 N 3.10 0.44 -0.10 5.44 -0.04 -1.26 -5.04 135.00 137.54 9rnt n PRO 73 Ca 0.08 -0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.35 9rnt n PRO 73 Cb 0.43 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 9rnt n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 9rnt n GLY 74 N 1.39 -1.77 0.41 0.55 0.00 -1.26 -4.43 105.19 100.08 9rnt n GLY 74 Ca 0.10 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.89 9rnt n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9rnt n ALA 75 N -0.27 2.70 -2.79 4.61 0.00 -1.26 -5.01 120.51 118.48 9rnt n ALA 75 Ca 0.00 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.58 9rnt n ALA 75 Cb 0.04 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 9rnt n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 9rnt s ASP 76 N -1.31 5.71 0.01 0.00 1.01 -1.26 -1.20 116.67 119.63 9rnt s ASP 76 Ca 0.13 0.12 -0.03 0.00 0.71 0.00 0.00 52.55 53.47 9rnt s ASP 76 Cb 0.10 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.40 9rnt s ASP 76 CO 0.23 0.23 0.05 -0.13 0.21 0.00 0.00 175.17 175.77 9rnt s ARG 77 N -1.99 0.36 -0.04 8.23 1.81 0.64 -1.95 118.95 126.00 9rnt s ARG 77 Ca 0.26 -0.44 -0.07 0.00 -1.72 0.00 0.00 55.73 53.75 9rnt s ARG 77 Cb -0.12 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 9rnt s ARG 77 CO 0.18 -0.07 0.23 0.54 -0.68 0.00 0.00 175.30 175.49 9rnt s VAL 78 N -1.26 5.36 -0.11 3.52 0.11 -0.28 -0.80 120.40 126.94 9rnt s VAL 78 Ca -0.14 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.16 9rnt s VAL 78 Cb -0.08 -3.52 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 9rnt s VAL 78 CO 0.00 0.48 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.35 9rnt s VAL 79 N -1.18 2.39 0.22 2.04 1.01 -0.03 -1.18 120.40 123.66 9rnt s VAL 79 Ca 0.23 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.34 9rnt s VAL 79 Cb -0.13 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 9rnt s VAL 79 CO 0.12 0.55 -0.01 0.72 0.00 0.00 0.00 175.10 176.48 9rnt s PHE 80 N 0.37 1.51 0.41 5.22 -0.12 -0.43 -0.41 117.98 124.54 9rnt s PHE 80 Ca -0.16 -0.93 0.05 0.00 -0.05 0.00 0.00 56.93 55.84 9rnt s PHE 80 Cb -0.17 -0.87 0.05 0.00 -0.63 0.00 0.00 43.02 41.40 9rnt s PHE 80 CO 0.07 -0.05 0.40 0.27 -0.05 0.00 0.00 175.22 175.86 9rnt n ASN 81 N -0.39 2.07 0.30 1.98 6.94 -0.33 -0.43 115.26 125.40 9rnt n ASN 81 Ca -0.05 -2.32 0.15 0.00 -0.02 0.00 0.00 54.58 52.34 9rnt n ASN 81 Cb 0.64 -0.12 0.92 0.00 -2.36 0.00 0.00 39.78 38.85 9rnt n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 9rnt h GLU 82 N 0.00 0.00 -0.64 -3.83 4.57 -1.72 -0.23 114.58 112.73 9rnt h GLU 82 Ca -0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 9rnt h GLU 82 Cb 0.94 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 9rnt h GLU 82 CO 0.37 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.29 9rnt n ASN 83 N -3.85 4.06 -3.28 1.04 3.02 -1.26 -4.92 115.26 110.07 9rnt n ASN 83 Ca -0.03 -2.47 -0.23 0.00 -0.03 0.00 0.00 54.58 51.83 9rnt n ASN 83 Cb 0.08 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 38.76 9rnt n ASN 83 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 9rnt n ASN 84 N 0.70 -6.15 -4.66 6.41 4.05 -0.10 -4.99 115.26 110.52 9rnt n ASN 84 Ca 0.20 -0.44 -0.34 0.00 0.45 0.00 0.00 54.58 54.45 9rnt n ASN 84 Cb 0.80 -4.84 -0.10 0.00 1.23 0.00 0.00 39.78 36.88 9rnt n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 9rnt s GLN 85 N -6.06 2.91 0.12 1.20 -0.21 -1.26 -4.90 119.66 111.46 9rnt s GLN 85 Ca 0.47 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 55.09 9rnt s GLN 85 Cb -0.21 -2.73 -0.06 0.00 1.00 0.00 0.00 33.01 31.00 9rnt s GLN 85 CO 0.59 0.69 1.11 -1.17 -2.12 0.00 0.00 175.29 174.38 9rnt s LEU 86 N -0.95 4.44 -0.23 2.90 2.96 -1.26 -1.19 118.68 125.36 9rnt s LEU 86 Ca 0.14 2.01 0.01 0.00 -0.22 0.00 0.00 54.13 56.06 9rnt s LEU 86 Cb -0.11 -3.59 -0.19 0.00 0.50 0.00 0.00 46.19 42.80 9rnt s LEU 86 CO 0.03 -0.28 -0.11 0.00 -1.32 0.00 0.00 176.35 174.67 9rnt n ALA 87 N 2.98 1.33 0.00 5.97 0.00 0.46 -4.86 120.51 126.39 9rnt n ALA 87 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.47 9rnt n ALA 87 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.70 9rnt n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9rnt n GLY 88 N 2.20 -0.89 3.09 0.00 0.00 -1.09 -4.69 105.19 103.80 9rnt n GLY 88 Ca -0.43 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 9rnt n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 9rnt s VAL 89 N -2.00 1.77 0.27 1.61 1.01 -1.26 -0.85 120.40 120.95 9rnt s VAL 89 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 9rnt s VAL 89 Cb 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 9rnt s VAL 89 CO 0.00 0.49 0.05 0.27 0.00 0.00 0.00 175.10 175.91 9rnt s ILE 90 N 1.14 0.92 0.07 2.22 -4.36 0.02 -1.07 121.20 120.14 9rnt s ILE 90 Ca -0.01 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.20 9rnt s ILE 90 Cb -0.14 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.01 9rnt s ILE 90 CO -0.06 -0.11 0.39 0.28 0.24 0.00 0.00 174.94 175.67 9rnt s THR 91 N -3.49 0.06 -0.74 8.37 -1.32 -0.01 -0.26 115.64 118.25 9rnt s THR 91 Ca 0.34 -0.53 0.25 0.00 -1.21 0.00 0.00 61.69 60.54 9rnt s THR 91 Cb 0.07 -1.02 0.11 0.00 -1.51 0.00 0.00 72.50 70.16 9rnt s THR 91 CO 0.13 -0.29 1.49 1.41 -2.21 0.00 0.00 174.62 175.14 9rnt n HIS 92 N 0.31 0.53 -1.98 9.09 8.25 -0.34 -0.82 115.22 130.26 9rnt n HIS 92 Ca -0.18 0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 9rnt n HIS 92 Cb 0.61 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 9rnt n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 9rnt s THR 93 N -3.12 2.89 0.00 1.59 2.01 -1.26 -1.96 115.64 115.79 9rnt s THR 93 Ca 0.08 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.65 9rnt s THR 93 Cb 0.14 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.29 9rnt s THR 93 CO 0.67 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 9rnt n GLY 94 N 3.78 0.55 3.19 4.40 0.00 -1.26 -4.75 105.19 111.11 9rnt n GLY 94 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 9rnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9rnt s ALA 95 N -2.09 1.29 0.32 4.61 0.00 -0.83 -4.95 121.76 120.11 9rnt s ALA 95 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 9rnt s ALA 95 Cb 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 9rnt s ALA 95 CO 0.00 0.17 0.82 -1.54 0.00 0.00 0.00 175.76 175.21 9rnt s SER 96 N -1.89 6.98 1.05 0.00 1.04 -1.26 -4.80 113.70 114.82 9rnt s SER 96 Ca 0.01 1.51 0.00 0.00 0.48 0.00 0.00 55.95 57.94 9rnt s SER 96 Cb -0.09 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.57 9rnt s SER 96 CO 0.03 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.70 9rnt n GLY 97 N 0.00 3.12 1.15 7.32 0.00 -1.26 -1.20 105.19 114.32 9rnt n GLY 97 Ca 0.03 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.07 9rnt n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 9rnt n ASN 98 N 3.14 3.35 -4.57 1.61 0.23 -1.26 -4.95 115.26 112.82 9rnt n ASN 98 Ca 0.00 -2.31 -0.29 0.00 -0.53 0.00 0.00 54.58 51.45 9rnt n ASN 98 Cb 0.00 -0.47 0.15 0.00 -2.08 0.00 0.00 39.78 37.37 9rnt n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 9rnt s ASN 99 N -0.75 3.32 0.14 0.53 -0.87 -0.34 -5.04 114.94 111.93 9rnt s ASN 99 Ca 0.34 0.75 0.02 0.00 -1.57 0.00 0.00 52.86 52.40 9rnt s ASN 99 Cb 0.22 -1.17 -0.04 0.00 -0.02 0.00 0.00 41.25 40.24 9rnt s ASN 99 CO 0.16 -2.65 -0.02 -0.36 -2.57 0.00 0.00 177.10 171.66 9rnt s PHE 100 N -3.43 1.08 0.21 2.20 0.08 -1.26 -4.46 117.98 112.40 9rnt s PHE 100 Ca 0.66 -0.98 0.05 0.00 0.12 0.00 0.00 56.93 56.78 9rnt s PHE 100 Cb -0.11 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 9rnt s PHE 100 CO 0.53 -0.19 -0.06 0.14 -0.10 0.00 0.00 175.22 175.54 9rnt s VAL 101 N -3.65 1.22 0.29 -0.44 -7.23 0.00 -4.96 120.40 105.63 9rnt s VAL 101 Ca 0.19 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 9rnt s VAL 101 Cb 0.06 -2.17 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 9rnt s VAL 101 CO 0.00 -0.48 0.65 -1.61 -0.31 0.00 0.00 175.10 173.35 9rnt s GLU 102 N -3.79 3.88 0.54 4.82 2.02 -1.26 -0.83 118.70 124.09 9rnt s GLU 102 Ca 0.24 0.45 -0.17 0.00 0.02 0.00 0.00 54.97 55.51 9rnt s GLU 102 Cb 0.04 -2.53 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 9rnt s GLU 102 CO 0.06 0.22 1.02 0.00 0.02 0.00 0.00 175.26 176.58