#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6rnt h ASP 3 N 4.99 0.00 -3.55 0.00 3.32 -1.29 -3.45 116.42 116.44 6rnt h ASP 3 Ca -0.55 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.27 6rnt h ASP 3 Cb 1.23 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 6rnt h ASP 3 CO 0.58 0.57 -0.60 -0.31 -1.72 0.00 0.00 179.24 177.76 6rnt s TYR 4 N -2.93 -0.14 -0.19 4.55 1.51 -0.69 -4.95 117.35 114.51 6rnt s TYR 4 Ca 0.03 0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.49 6rnt s TYR 4 Cb 0.08 -0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.89 6rnt s TYR 4 CO 0.76 -0.13 -0.14 0.99 -1.11 0.00 0.00 175.55 175.92 6rnt s THR 5 N 0.81 2.55 -0.59 -0.71 2.01 -1.26 -0.53 115.64 117.92 6rnt s THR 5 Ca -0.06 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 6rnt s THR 5 Cb -0.08 -2.11 0.15 0.00 0.01 0.00 0.00 72.50 70.47 6rnt s THR 5 CO -0.04 0.50 0.39 0.00 -0.69 0.00 0.00 174.62 174.78 6rnt n GLY 7 N 3.56 2.86 0.75 0.00 0.00 -1.26 -1.43 105.19 109.67 6rnt n GLY 7 Ca 0.06 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.95 6rnt n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 6rnt n SER 8 N 9.13 2.55 -4.75 1.61 7.64 -1.26 -4.97 113.62 123.57 6rnt n SER 8 Ca 0.00 -1.78 -0.40 0.00 1.01 0.00 0.00 58.87 57.71 6rnt n SER 8 Cb 0.00 0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 6rnt n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 6rnt s ASN 9 N -2.14 7.23 -0.13 6.43 0.01 -0.52 -5.06 114.94 120.77 6rnt s ASN 9 Ca 0.23 1.47 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 6rnt s ASN 9 Cb 0.19 -2.47 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 6rnt s ASN 9 CO 0.40 0.05 -0.14 0.00 -1.51 0.00 0.00 177.10 175.90 6rnt s TYR 11 N 0.35 1.52 0.49 0.00 2.02 0.31 -5.02 117.35 117.02 6rnt s TYR 11 Ca -0.12 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 6rnt s TYR 11 Cb -0.16 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 6rnt s TYR 11 CO 0.06 0.00 0.70 -1.54 -1.57 0.00 0.00 175.55 173.21 6rnt s SER 12 N -0.64 5.53 0.43 2.29 1.04 -1.26 -0.77 113.70 120.33 6rnt s SER 12 Ca 0.06 0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.63 6rnt s SER 12 Cb -0.07 -1.08 0.97 0.00 0.10 0.00 0.00 66.02 65.94 6rnt s SER 12 CO 0.00 -0.92 2.05 0.28 0.98 0.00 0.00 173.24 175.63 6rnt h SER 13 N 0.28 0.37 -0.80 7.02 0.02 -1.98 -1.36 113.55 117.10 6rnt h SER 13 Ca -0.43 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 6rnt h SER 13 Cb 1.28 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 6rnt h SER 13 CO 0.53 0.26 0.35 0.77 -1.14 0.00 0.00 176.83 177.60 6rnt h SER 14 N 0.43 1.09 -0.61 3.07 4.64 -1.99 -0.51 113.55 119.66 6rnt h SER 14 Ca 0.17 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 6rnt h SER 14 Cb 0.13 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 6rnt h SER 14 CO -0.04 0.94 0.28 0.44 -0.87 0.00 0.00 176.83 177.59 6rnt h ASP 15 N 1.16 0.84 0.09 4.97 3.32 -1.65 -0.66 116.42 124.49 6rnt h ASP 15 Ca 0.27 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 6rnt h ASP 15 Cb 0.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.51 6rnt h ASP 15 CO -0.03 0.73 -0.04 0.58 -1.72 0.00 0.00 179.24 178.76 6rnt h VAL 16 N 0.91 1.09 -0.94 -1.35 2.07 -0.91 -2.24 116.25 114.89 6rnt h VAL 16 Ca 0.22 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.08 6rnt h VAL 16 Cb 0.13 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 6rnt h VAL 16 CO -0.02 0.17 0.61 0.28 0.02 0.00 0.00 177.57 178.63 6rnt h SER 17 N -0.45 0.99 -0.20 0.57 0.02 -0.98 0.10 113.55 113.60 6rnt h SER 17 Ca -0.01 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 6rnt h SER 17 Cb 0.38 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 6rnt h SER 17 CO 0.02 0.66 -0.08 0.74 -1.14 0.00 0.00 176.83 177.03 6rnt h THR 18 N 1.14 1.30 -0.58 -2.27 2.02 -1.07 -1.13 112.91 112.31 6rnt h THR 18 Ca 0.38 -1.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 6rnt h THR 18 Cb 0.08 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 6rnt h THR 18 CO -0.13 0.34 -0.04 0.00 0.37 0.00 0.00 175.52 176.07 6rnt h ALA 19 N 0.71 0.79 -0.55 6.16 0.00 -1.12 -2.87 119.26 122.39 6rnt h ALA 19 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 6rnt h ALA 19 Cb 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 6rnt h ALA 19 CO 0.03 0.66 0.27 0.37 0.00 0.00 0.00 179.25 180.58 6rnt h GLN 20 N 0.95 0.78 -0.64 0.00 4.15 -0.76 -1.19 115.11 118.40 6rnt h GLN 20 Ca 0.16 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.52 6rnt h GLN 20 Cb 0.60 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.10 6rnt h GLN 20 CO 0.04 0.64 0.36 0.00 -1.93 0.00 0.00 178.83 177.93 6rnt h ALA 21 N 1.11 0.84 -0.16 3.38 0.00 -1.05 0.35 119.26 123.73 6rnt h ALA 21 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 6rnt h ALA 21 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 6rnt h ALA 21 CO -0.03 0.05 0.03 0.00 0.00 0.00 0.00 179.25 179.31 6rnt h ALA 22 N 1.32 0.21 -0.56 0.00 0.00 -1.29 -1.98 119.26 116.95 6rnt h ALA 22 Ca 0.28 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 6rnt h ALA 22 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 6rnt h ALA 22 CO -0.16 -0.14 0.08 0.78 0.00 0.00 0.00 179.25 179.81 6rnt h GLY 23 N 0.05 1.01 1.31 0.00 0.00 -0.92 -2.57 103.07 101.96 6rnt h GLY 23 Ca 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 6rnt h GLY 23 CO 0.00 0.64 0.32 -1.82 0.00 0.00 0.00 176.54 175.67 6rnt h TYR 24 N 0.83 0.89 -0.53 5.60 3.20 -0.87 -2.11 116.97 123.97 6rnt h TYR 24 Ca 0.17 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 6rnt h TYR 24 Cb 0.43 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 6rnt h TYR 24 CO 0.03 0.64 0.10 -0.22 -1.64 0.00 0.00 178.16 177.07 6rnt h LYS 25 N 0.90 0.87 -0.79 1.82 1.63 -1.18 -0.51 116.57 119.30 6rnt h LYS 25 Ca 0.22 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 6rnt h LYS 25 Cb 0.08 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 6rnt h LYS 25 CO -0.03 0.85 0.31 -0.07 -3.45 0.00 0.00 179.45 177.06 6rnt h LEU 26 N 0.76 1.10 -0.28 5.20 4.07 -1.09 -1.94 115.31 123.12 6rnt h LEU 26 Ca 0.16 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 57.99 6rnt h LEU 26 Cb 0.39 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 6rnt h LEU 26 CO 0.01 0.97 0.03 -0.74 -1.08 0.00 0.00 178.44 177.63 6rnt h HIS 27 N 1.15 0.05 -0.52 1.13 2.76 -0.94 -0.98 115.15 117.80 6rnt h HIS 27 Ca 0.26 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 6rnt h HIS 27 Cb 0.22 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 6rnt h HIS 27 CO 0.02 -0.00 0.27 0.93 -1.30 0.00 0.00 177.93 177.84 6rnt h GLU 28 N 0.13 0.71 0.00 5.26 5.08 -0.68 -2.49 114.58 122.59 6rnt h GLU 28 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 6rnt h GLU 28 Cb 0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.26 6rnt h GLU 28 CO -0.19 0.54 0.00 -0.25 -1.00 0.00 0.00 179.01 178.11 6rnt n ASP 29 N -4.39 0.38 -1.52 1.42 8.00 -0.77 -4.90 116.55 114.77 6rnt n ASP 29 Ca 0.04 0.55 -0.10 0.00 0.71 0.00 0.00 54.79 55.99 6rnt n ASP 29 Cb 0.11 -0.64 0.02 0.00 -0.02 0.00 0.00 41.12 40.58 6rnt n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 6rnt n GLY 30 N 1.14 0.12 3.37 0.44 0.00 -0.51 -5.01 105.19 104.73 6rnt n GLY 30 Ca 0.06 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 6rnt n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 6rnt s GLU 31 N -5.05 1.39 0.15 1.61 2.56 -0.49 -5.04 118.70 113.84 6rnt s GLU 31 Ca 0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 54.97 53.41 6rnt s GLU 31 Cb -0.06 -1.11 -0.03 0.00 2.00 0.00 0.00 34.13 34.94 6rnt s GLU 31 CO 0.17 0.13 0.17 0.99 -0.56 0.00 0.00 175.26 176.16 6rnt s THR 32 N -3.00 0.08 0.02 -1.70 2.01 -1.26 -4.33 115.64 107.46 6rnt s THR 32 Ca 0.25 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.58 6rnt s THR 32 Cb 0.01 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 6rnt s THR 32 CO 0.08 -0.37 -0.03 0.68 -0.69 0.00 0.00 174.62 174.30 6rnt s VAL 33 N -4.02 0.11 0.00 3.82 -7.23 0.55 -4.89 120.40 108.74 6rnt s VAL 33 Ca 0.22 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 6rnt s VAL 33 Cb 0.05 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.75 6rnt s VAL 33 CO 0.01 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 6rnt n GLY 34 N 1.72 1.24 0.29 2.32 0.00 -1.26 -1.76 105.19 107.73 6rnt n GLY 34 Ca -0.23 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.14 6rnt n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 6rnt h SER 35 N 0.00 0.29 -0.37 1.61 0.02 -1.97 -1.96 113.55 111.18 6rnt h SER 35 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 6rnt h SER 35 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 6rnt h SER 35 CO 0.00 0.21 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 6rnt n ASN 36 N -4.50 2.13 -3.42 3.07 5.03 -1.26 -5.00 115.26 111.31 6rnt n ASN 36 Ca 0.01 -1.95 -0.16 0.00 0.87 0.00 0.00 54.58 53.35 6rnt n ASN 36 Cb 0.08 -0.25 0.01 0.00 -1.02 0.00 0.00 39.78 38.60 6rnt n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 6rnt n SER 37 N 0.65 -6.26 -4.89 6.41 7.64 -0.74 -4.91 113.62 111.52 6rnt n SER 37 Ca 0.14 -0.42 -0.34 0.00 1.01 0.00 0.00 58.87 59.26 6rnt n SER 37 Cb 0.35 -3.31 -0.05 0.00 -1.01 0.00 0.00 64.21 60.19 6rnt n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 6rnt s TYR 38 N -2.79 3.56 0.54 1.43 2.02 -0.73 -3.86 117.35 117.52 6rnt s TYR 38 Ca 0.07 0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 57.08 6rnt s TYR 38 Cb -0.01 -1.93 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 6rnt s TYR 38 CO 0.83 0.62 1.05 -1.25 -1.57 0.00 0.00 175.55 175.24 6rnt s PRO 39 N -1.85 3.54 0.13 -1.71 0.04 -1.26 -0.33 135.00 133.56 6rnt s PRO 39 Ca 0.28 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 6rnt s PRO 39 Cb -0.13 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 6rnt s PRO 39 CO 0.17 -0.64 0.04 -3.38 0.04 0.00 0.00 177.00 173.23 6rnt s HIS 40 N -2.17 0.90 0.60 0.56 -3.43 -1.06 -4.92 115.29 105.78 6rnt s HIS 40 Ca 0.66 -1.18 -0.20 0.00 -0.80 0.00 0.00 55.06 53.54 6rnt s HIS 40 Cb -0.17 -0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 30.44 6rnt s HIS 40 CO 0.28 -0.45 1.29 1.63 -2.00 0.00 0.00 174.74 175.48 6rnt n LYS 41 N -0.11 1.32 -5.17 -0.38 4.76 -1.26 -0.49 118.16 116.83 6rnt n LYS 41 Ca -0.06 0.50 -0.31 0.00 -2.87 0.00 0.00 58.31 55.57 6rnt n LYS 41 Cb 0.63 -2.51 -0.17 0.00 -1.84 0.00 0.00 35.03 31.15 6rnt n LYS 41 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 6rnt s TYR 42 N -1.36 2.36 -0.17 2.13 5.04 0.27 -4.62 117.35 121.01 6rnt s TYR 42 Ca 0.78 -0.81 -0.05 0.00 -2.44 0.00 0.00 57.07 54.55 6rnt s TYR 42 Cb -0.40 -1.57 -0.03 0.00 0.35 0.00 0.00 41.96 40.31 6rnt s TYR 42 CO 0.44 -0.29 -0.01 -0.80 -1.34 0.00 0.00 175.55 173.55 6rnt s ASN 43 N 0.08 4.95 -1.32 4.32 0.01 -1.26 -4.16 114.94 117.56 6rnt s ASN 43 Ca -0.10 -0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 51.90 6rnt s ASN 43 Cb -0.15 -1.82 0.12 0.00 0.41 0.00 0.00 41.25 39.81 6rnt s ASN 43 CO 0.05 0.16 2.37 -3.20 -1.51 0.00 0.00 177.10 174.97 6rnt n ASN 44 N 3.62 7.97 0.27 -1.22 5.15 -1.26 -4.60 115.26 125.19 6rnt n ASN 44 Ca -0.17 -3.14 0.18 0.00 -0.60 0.00 0.00 54.58 50.84 6rnt n ASN 44 Cb 0.52 -1.36 0.76 0.00 -0.53 0.00 0.00 39.78 39.17 6rnt n ASN 44 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 6rnt h TYR 45 N 4.63 0.00 -0.00 1.20 -0.00 -2.00 -1.64 116.97 119.17 6rnt h TYR 45 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.43 6rnt h TYR 45 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 6rnt h TYR 45 CO 1.60 0.00 -0.01 0.39 -0.00 0.00 0.00 178.16 180.14 6rnt n GLU 46 N -2.97 0.61 -2.47 0.10 -0.58 -1.26 -4.93 120.64 109.13 6rnt n GLU 46 Ca 0.00 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.61 6rnt n GLU 46 Cb 0.25 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.63 6rnt n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 6rnt n GLY 47 N 1.21 0.03 3.75 0.62 0.00 -0.62 -4.99 105.19 105.19 6rnt n GLY 47 Ca 0.17 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 6rnt n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 6rnt s PHE 48 N -2.73 2.28 -1.00 1.61 0.08 -1.26 -4.88 117.98 112.08 6rnt s PHE 48 Ca 0.09 1.43 -0.21 0.00 0.12 0.00 0.00 56.93 58.36 6rnt s PHE 48 Cb -0.04 -3.71 0.08 0.00 -0.57 0.00 0.00 43.02 38.78 6rnt s PHE 48 CO 0.12 -2.74 1.34 0.34 -0.10 0.00 0.00 175.22 174.18 6rnt s ASP 49 N -1.17 6.57 -0.13 1.36 2.15 -1.26 -4.96 116.67 119.23 6rnt s ASP 49 Ca 0.75 -1.73 -0.12 0.00 0.43 0.00 0.00 52.55 51.89 6rnt s ASP 49 Cb -0.38 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 39.69 6rnt s ASP 49 CO 0.43 -1.32 0.25 -0.36 -0.17 0.00 0.00 175.17 173.99 6rnt s PHE 50 N 4.07 3.54 -2.08 -5.34 0.08 -1.26 -4.97 117.98 112.02 6rnt s PHE 50 Ca 0.41 0.61 0.16 0.00 0.12 0.00 0.00 56.93 58.23 6rnt s PHE 50 Cb -0.02 -2.20 0.46 0.00 -0.57 0.00 0.00 43.02 40.70 6rnt s PHE 50 CO -0.09 0.46 1.38 -1.13 -0.10 0.00 0.00 175.22 175.73 6rnt n SER 51 N 2.82 2.38 -4.50 1.36 3.41 -1.26 -4.85 113.62 112.98 6rnt n SER 51 Ca -0.15 -1.95 -0.29 0.00 -0.26 0.00 0.00 58.87 56.22 6rnt n SER 51 Cb 0.53 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 6rnt n SER 51 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 6rnt s VAL 52 N -1.46 2.88 0.50 -3.33 0.11 -1.26 -5.14 120.40 112.70 6rnt s VAL 52 Ca 0.31 -1.59 -0.11 0.00 -2.93 0.00 0.00 61.98 57.67 6rnt s VAL 52 Cb 0.17 -2.35 -0.05 0.00 -1.53 0.00 0.00 36.38 32.61 6rnt s VAL 52 CO 0.22 0.03 0.88 -0.94 -3.33 0.00 0.00 175.10 171.97 6rnt s SER 53 N -2.35 6.41 0.95 3.54 1.04 -1.26 -5.03 113.70 117.00 6rnt s SER 53 Ca 0.20 1.24 -0.12 0.00 0.48 0.00 0.00 55.95 57.75 6rnt s SER 53 Cb -0.10 -2.38 0.18 0.00 0.10 0.00 0.00 66.02 63.82 6rnt s SER 53 CO 0.11 -0.60 1.07 -1.54 0.98 0.00 0.00 173.24 173.27 6rnt n SER 54 N -1.96 0.25 -4.60 7.02 3.41 -1.26 -4.63 113.62 111.84 6rnt n SER 54 Ca 0.04 -1.49 -0.35 0.00 -0.26 0.00 0.00 58.87 56.81 6rnt n SER 54 Cb 0.54 -0.81 0.10 0.00 -0.26 0.00 0.00 64.21 63.78 6rnt n SER 54 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 6rnt n PRO 55 N -3.24 0.36 -4.39 4.33 -0.02 -1.26 -4.81 135.00 125.96 6rnt n PRO 55 Ca 0.14 0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 61.53 6rnt n PRO 55 Cb 0.49 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 6rnt n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 6rnt s TYR 56 N -1.94 2.38 0.03 6.00 2.02 -1.26 -2.67 117.35 121.92 6rnt s TYR 56 Ca 0.71 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 6rnt s TYR 56 Cb -0.32 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 6rnt s TYR 56 CO 0.52 0.51 -0.07 0.71 -1.57 0.00 0.00 175.55 175.66 6rnt s TYR 57 N -1.72 0.62 0.13 2.71 1.51 0.70 -0.56 117.35 120.74 6rnt s TYR 57 Ca 0.22 -0.35 0.11 0.00 -1.01 0.00 0.00 57.07 56.04 6rnt s TYR 57 Cb -0.08 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 6rnt s TYR 57 CO 0.11 -0.05 -0.26 -1.83 -1.11 0.00 0.00 175.55 172.42 6rnt s GLU 58 N -1.04 1.46 -0.08 -0.62 -1.05 0.36 -0.52 118.70 117.21 6rnt s GLU 58 Ca -0.05 -1.33 -0.05 0.00 -0.15 0.00 0.00 54.97 53.39 6rnt s GLU 58 Cb -0.07 -1.93 0.03 0.00 -0.44 0.00 0.00 34.13 31.72 6rnt s GLU 58 CO 0.00 0.45 0.18 -0.46 0.95 0.00 0.00 175.26 176.39 6rnt s TRP 59 N -1.09 -0.22 0.45 4.83 -0.11 -0.47 -2.56 118.94 119.78 6rnt s TRP 59 Ca 0.15 0.55 -0.24 0.00 1.22 0.00 0.00 56.10 57.77 6rnt s TRP 59 Cb -0.10 0.01 -0.08 0.00 -1.50 0.00 0.00 33.47 31.80 6rnt s TRP 59 CO 0.07 -0.15 1.33 -2.14 -4.62 0.00 0.00 176.95 171.43 6rnt s PRO 60 N 0.77 3.69 -0.13 5.86 0.02 -1.26 -0.91 135.00 143.03 6rnt s PRO 60 Ca -0.06 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.15 6rnt s PRO 60 Cb -0.07 -2.57 -0.01 0.00 0.02 0.00 0.00 34.50 31.86 6rnt s PRO 60 CO -0.04 -0.73 -0.14 -1.50 -0.33 0.00 0.00 177.00 174.25 6rnt s ILE 61 N -1.30 2.89 -0.16 2.83 2.07 -1.03 -4.58 121.20 121.92 6rnt s ILE 61 Ca 0.62 -0.71 -0.09 0.00 -1.41 0.00 0.00 60.65 59.06 6rnt s ILE 61 Cb -0.39 -2.21 -0.05 0.00 0.13 0.00 0.00 42.46 39.95 6rnt s ILE 61 CO 0.48 0.52 0.13 -0.76 -1.91 0.00 0.00 174.94 173.41 6rnt s LEU 62 N 0.47 4.28 0.59 8.50 1.43 -1.26 -4.40 118.68 128.30 6rnt s LEU 62 Ca -0.10 0.34 0.31 0.00 -1.03 0.00 0.00 54.13 53.65 6rnt s LEU 62 Cb -0.16 -2.08 1.86 0.00 0.03 0.00 0.00 46.19 45.85 6rnt s LEU 62 CO 0.05 0.28 2.25 0.77 0.23 0.00 0.00 176.35 179.94 6rnt h SER 63 N 5.90 0.00 0.76 2.29 4.64 -1.96 -2.10 113.55 123.09 6rnt h SER 63 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 6rnt h SER 63 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 6rnt h SER 63 CO 0.68 0.01 -0.05 0.77 -0.87 0.00 0.00 176.83 177.37 6rnt h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.97 -3.47 113.55 117.72 6rnt h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 6rnt h SER 64 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 6rnt h SER 64 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 6rnt n GLY 65 N -0.22 0.65 3.83 -0.77 0.00 -0.79 -5.06 105.19 102.83 6rnt n GLY 65 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 6rnt n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 6rnt s ASP 66 N -2.55 6.57 0.12 1.61 1.01 -1.26 -5.01 116.67 117.16 6rnt s ASP 66 Ca 0.00 1.67 -0.24 0.00 0.71 0.00 0.00 52.55 54.69 6rnt s ASP 66 Cb 0.00 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.33 6rnt s ASP 66 CO 0.00 -0.62 0.74 -0.69 0.21 0.00 0.00 175.17 174.81 6rnt s VAL 67 N -2.42 4.53 0.22 -1.27 1.01 -1.26 -4.34 120.40 116.86 6rnt s VAL 67 Ca 0.61 1.60 -0.31 0.00 0.00 0.00 0.00 61.98 63.88 6rnt s VAL 67 Cb -0.11 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 6rnt s VAL 67 CO 0.26 0.49 1.58 -0.47 0.00 0.00 0.00 175.10 176.96 6rnt s TYR 68 N -0.85 2.96 -0.03 5.22 5.04 -1.26 -4.91 117.35 123.52 6rnt s TYR 68 Ca 0.35 0.68 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 6rnt s TYR 68 Cb -0.22 -3.98 0.08 0.00 0.35 0.00 0.00 41.96 38.19 6rnt s TYR 68 CO 0.24 -3.48 0.93 -1.13 -1.34 0.00 0.00 175.55 170.76 6rnt n SER 69 N 3.27 0.99 0.00 4.32 3.41 -1.26 -5.08 113.62 119.27 6rnt n SER 69 Ca 0.12 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 6rnt n SER 69 Cb 0.38 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 6rnt n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 6rnt n GLY 70 N -0.47 1.86 1.99 5.00 0.00 -1.26 -4.74 105.19 107.56 6rnt n GLY 70 Ca 0.04 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.85 6rnt n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6rnt n GLY 71 N -1.03 -2.52 3.71 -0.02 0.00 -1.26 -4.80 105.19 99.26 6rnt n GLY 71 Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 6rnt n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 6rnt s SER 72 N -2.45 6.52 0.00 1.61 0.15 -1.26 -4.77 113.70 113.50 6rnt s SER 72 Ca 0.00 2.66 0.28 0.00 0.70 0.00 0.00 55.95 59.60 6rnt s SER 72 Cb 0.00 -2.58 1.11 0.00 -1.71 0.00 0.00 66.02 62.84 6rnt s SER 72 CO 0.00 -0.91 1.81 -0.81 1.20 0.00 0.00 173.24 174.53 6rnt n PRO 73 N 4.75 0.29 0.00 5.44 -0.04 -1.26 -5.03 135.00 139.15 6rnt n PRO 73 Ca 0.16 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 6rnt n PRO 73 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 6rnt n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 6rnt n GLY 74 N 1.40 -1.02 0.26 0.55 0.00 -1.26 -4.38 105.19 100.74 6rnt n GLY 74 Ca 0.10 -1.15 0.07 0.00 0.00 0.00 0.00 46.02 45.04 6rnt n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6rnt n ALA 75 N 0.78 3.30 -2.88 4.61 0.00 -1.26 -5.01 120.51 120.04 6rnt n ALA 75 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.62 6rnt n ALA 75 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 6rnt n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 6rnt s ASP 76 N -1.93 6.39 0.02 0.00 1.01 -1.26 -0.89 116.67 120.00 6rnt s ASP 76 Ca 0.11 0.35 -0.04 0.00 0.71 0.00 0.00 52.55 53.67 6rnt s ASP 76 Cb 0.12 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 42.04 6rnt s ASP 76 CO 0.43 0.21 0.07 -0.13 0.21 0.00 0.00 175.17 175.95 6rnt s ARG 77 N -2.22 0.45 -0.05 8.23 1.81 0.57 -2.46 118.95 125.29 6rnt s ARG 77 Ca 0.32 -0.57 -0.02 0.00 -1.72 0.00 0.00 55.73 53.74 6rnt s ARG 77 Cb -0.13 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 6rnt s ARG 77 CO 0.23 -0.10 0.05 0.08 -0.68 0.00 0.00 175.30 174.88 6rnt s VAL 78 N -1.73 4.62 -0.13 3.52 1.01 -0.09 -1.16 120.40 126.45 6rnt s VAL 78 Ca -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.59 6rnt s VAL 78 Cb -0.07 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 6rnt s VAL 78 CO -0.01 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 174.70 6rnt s VAL 79 N -1.05 2.47 0.25 2.92 1.01 -0.16 -1.37 120.40 124.46 6rnt s VAL 79 Ca 0.18 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.32 6rnt s VAL 79 Cb -0.12 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 6rnt s VAL 79 CO 0.08 0.54 0.05 0.72 0.00 0.00 0.00 175.10 176.49 6rnt s PHE 80 N 0.52 1.55 0.24 5.22 -0.12 0.33 -0.18 117.98 125.53 6rnt s PHE 80 Ca -0.12 -1.06 0.03 0.00 -0.05 0.00 0.00 56.93 55.73 6rnt s PHE 80 Cb -0.16 -0.92 0.03 0.00 -0.63 0.00 0.00 43.02 41.33 6rnt s PHE 80 CO 0.05 -0.20 0.22 0.27 -0.05 0.00 0.00 175.22 175.51 6rnt n ASN 81 N -0.45 1.49 0.29 1.98 6.94 -0.60 -0.21 115.26 124.70 6rnt n ASN 81 Ca -0.03 -1.76 0.15 0.00 -0.02 0.00 0.00 54.58 52.93 6rnt n ASN 81 Cb 0.65 -0.07 0.87 0.00 -2.36 0.00 0.00 39.78 38.88 6rnt n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 6rnt h GLU 82 N 0.00 0.00 -0.65 -3.83 4.57 -1.77 -1.78 114.58 111.12 6rnt h GLU 82 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 6rnt h GLU 82 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 6rnt h GLU 82 CO 0.21 0.05 0.00 0.09 -1.18 0.00 0.00 179.01 178.18 6rnt n ASN 83 N -3.59 4.75 -3.59 1.04 4.13 -1.26 -4.93 115.26 111.81 6rnt n ASN 83 Ca -0.02 -2.69 -0.25 0.00 1.68 0.00 0.00 54.58 53.30 6rnt n ASN 83 Cb 0.16 -0.63 0.06 0.00 -1.54 0.00 0.00 39.78 37.83 6rnt n ASN 83 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 6rnt n ASN 84 N 0.60 -5.87 -4.71 6.41 4.05 -0.67 -4.98 115.26 110.10 6rnt n ASN 84 Ca 0.23 -0.56 -0.35 0.00 0.45 0.00 0.00 54.58 54.35 6rnt n ASN 84 Cb 0.98 -4.65 -0.09 0.00 1.23 0.00 0.00 39.78 37.25 6rnt n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 6rnt s GLN 85 N -6.30 3.05 0.03 1.20 -0.21 -1.26 -4.89 119.66 111.27 6rnt s GLN 85 Ca 0.56 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.27 6rnt s GLN 85 Cb -0.26 -2.84 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 6rnt s GLN 85 CO 0.69 0.71 1.27 -1.17 -2.12 0.00 0.00 175.29 174.67 6rnt s LEU 86 N -0.89 4.34 -0.25 2.90 2.96 -1.26 -1.56 118.68 124.92 6rnt s LEU 86 Ca 0.13 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 6rnt s LEU 86 Cb -0.11 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.83 6rnt s LEU 86 CO 0.02 -0.58 -0.17 0.00 -1.32 0.00 0.00 176.35 174.31 6rnt n ALA 87 N 4.53 1.37 0.00 5.97 0.00 0.74 -4.86 120.51 128.26 6rnt n ALA 87 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.50 6rnt n ALA 87 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.75 6rnt n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 6rnt n GLY 88 N 2.19 -1.69 2.99 0.00 0.00 -1.02 -4.67 105.19 103.00 6rnt n GLY 88 Ca -0.45 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 6rnt n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6rnt s VAL 89 N -2.24 1.46 0.37 1.61 1.01 -1.26 -0.99 120.40 120.35 6rnt s VAL 89 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 6rnt s VAL 89 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 6rnt s VAL 89 CO 0.00 0.39 0.07 0.27 0.00 0.00 0.00 175.10 175.83 6rnt s ILE 90 N 1.52 1.08 0.02 2.22 -4.36 -0.31 -1.43 121.20 119.94 6rnt s ILE 90 Ca 0.04 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.26 6rnt s ILE 90 Cb -0.13 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 40.96 6rnt s ILE 90 CO -0.10 0.00 0.37 0.28 0.24 0.00 0.00 174.94 175.73 6rnt s THR 91 N -3.21 0.06 -0.54 8.37 -1.32 0.29 -0.32 115.64 118.97 6rnt s THR 91 Ca 0.31 -0.49 0.24 0.00 -1.21 0.00 0.00 61.69 60.54 6rnt s THR 91 Cb 0.07 -0.84 0.30 0.00 -1.51 0.00 0.00 72.50 70.52 6rnt s THR 91 CO 0.14 -0.27 1.64 0.45 -2.21 0.00 0.00 174.62 174.37 6rnt h HIS 92 N 3.35 0.00 -2.60 9.09 3.86 -1.21 -0.55 115.15 127.10 6rnt h HIS 92 Ca -0.30 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.38 6rnt h HIS 92 Cb 1.19 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.71 6rnt h HIS 92 CO 0.46 0.00 1.05 2.41 0.86 0.00 0.00 177.93 182.71 6rnt n THR 93 N -2.76 0.13 -1.03 2.45 -1.04 -1.26 -1.64 114.28 109.13 6rnt n THR 93 Ca 0.04 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 6rnt n THR 93 Cb 0.49 -2.04 -0.00 0.00 -1.82 0.00 0.00 70.33 66.96 6rnt n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 6rnt n GLY 94 N 4.06 0.48 3.26 3.41 0.00 -1.26 -4.73 105.19 110.42 6rnt n GLY 94 Ca 0.17 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 6rnt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6rnt s ALA 95 N -1.91 1.79 0.38 4.61 0.00 -0.65 -4.94 121.76 121.05 6rnt s ALA 95 Ca 0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.63 6rnt s ALA 95 Cb 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.68 6rnt s ALA 95 CO 0.00 0.40 1.09 -1.54 0.00 0.00 0.00 175.76 175.71 6rnt s SER 96 N -1.20 6.76 1.33 0.00 1.04 -1.26 -4.74 113.70 115.63 6rnt s SER 96 Ca 0.08 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.65 6rnt s SER 96 Cb -0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 6rnt s SER 96 CO 0.02 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.35 6rnt n GLY 97 N 0.54 3.32 1.80 7.32 0.00 -1.26 -1.44 105.19 115.47 6rnt n GLY 97 Ca 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.12 6rnt n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 6rnt n ASN 98 N 4.09 5.43 -4.11 1.61 0.23 -1.26 -4.97 115.26 116.28 6rnt n ASN 98 Ca 0.00 -2.76 -0.29 0.00 -0.53 0.00 0.00 54.58 51.00 6rnt n ASN 98 Cb 0.00 -0.65 0.19 0.00 -2.08 0.00 0.00 39.78 37.24 6rnt n ASN 98 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 6rnt s ASN 99 N -0.82 3.08 0.18 0.53 0.01 -0.52 -5.02 114.94 112.38 6rnt s ASN 99 Ca 0.54 0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.88 6rnt s ASN 99 Cb 0.39 -0.21 -0.05 0.00 0.41 0.00 0.00 41.25 41.80 6rnt s ASN 99 CO 0.19 -2.74 0.04 -0.36 -1.51 0.00 0.00 177.10 172.72 6rnt s PHE 100 N -3.87 1.19 0.17 2.20 0.08 -1.26 -4.37 117.98 112.12 6rnt s PHE 100 Ca 0.74 -1.13 0.04 0.00 0.12 0.00 0.00 56.93 56.71 6rnt s PHE 100 Cb -0.03 -0.67 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 6rnt s PHE 100 CO 0.53 -0.34 -0.06 0.14 -0.10 0.00 0.00 175.22 175.38 6rnt s VAL 101 N -3.81 1.06 0.36 -0.44 -7.23 -0.21 -4.95 120.40 105.19 6rnt s VAL 101 Ca 0.28 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 6rnt s VAL 101 Cb 0.07 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 6rnt s VAL 101 CO 0.06 -0.61 0.72 -1.61 -0.31 0.00 0.00 175.10 173.34 6rnt s GLU 102 N -3.80 3.80 0.54 4.82 2.02 -1.26 -0.55 118.70 124.27 6rnt s GLU 102 Ca 0.20 0.43 -0.17 0.00 0.02 0.00 0.00 54.97 55.46 6rnt s GLU 102 Cb 0.04 -2.45 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 6rnt s GLU 102 CO 0.03 0.06 1.02 0.00 0.02 0.00 0.00 175.26 176.39