#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s ILE 22 N 0.00 5.11 -0.03 0.58 1.01 0.16 -4.93 121.20 123.10 1s1h s ILE 22 Ca 0.00 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 1s1h s ILE 22 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1s1h s ILE 22 CO 0.00 -0.53 0.71 -0.13 0.00 0.00 0.00 174.94 174.98 1s1h s ARG 23 N 2.04 4.44 -0.08 2.79 0.52 -1.26 -1.53 118.95 125.87 1s1h s ARG 23 Ca 0.10 0.92 0.02 0.00 -0.52 0.00 0.00 55.73 56.24 1s1h s ARG 23 Cb -0.20 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 1s1h s ARG 23 CO 0.11 0.16 -0.14 0.42 0.02 0.00 0.00 175.30 175.87 1s1h s ILE 24 N 0.46 3.06 -0.15 1.52 1.01 -1.23 -1.08 121.20 124.79 1s1h s ILE 24 Ca 0.37 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1s1h s ILE 24 Cb -0.19 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1s1h s ILE 24 CO 0.19 0.57 -0.21 0.28 0.00 0.00 0.00 174.94 175.77 1s1h s THR 25 N -0.35 2.05 -0.15 2.92 -1.32 -0.39 -4.14 115.64 114.26 1s1h s THR 25 Ca 0.03 -0.96 0.01 0.00 -1.21 0.00 0.00 61.69 59.56 1s1h s THR 25 Cb -0.13 -1.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 1s1h s THR 25 CO 0.02 0.55 -0.17 -0.76 -2.21 0.00 0.00 174.62 172.05 1s1h s LEU 26 N 0.94 2.36 0.06 9.08 1.02 0.20 -2.19 118.68 130.15 1s1h s LEU 26 Ca -0.04 -0.51 0.06 0.00 0.02 0.00 0.00 54.13 53.66 1s1h s LEU 26 Cb -0.15 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 1s1h s LEU 26 CO -0.05 0.08 -0.17 0.28 0.02 0.00 0.00 176.35 176.51 1s1h s THR 27 N 0.82 1.38 0.04 5.49 -1.32 -1.17 0.76 115.64 121.65 1s1h s THR 27 Ca -0.06 -1.22 -0.27 0.00 -1.21 0.00 0.00 61.69 58.93 1s1h s THR 27 Cb -0.15 -1.25 0.09 0.00 -1.51 0.00 0.00 72.50 69.68 1s1h s THR 27 CO -0.01 -0.00 0.86 -0.94 -2.21 0.00 0.00 174.62 172.32 1s1h s SER 28 N -1.42 -0.36 0.09 8.08 1.04 -0.68 -2.67 113.70 117.77 1s1h s SER 28 Ca 0.03 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.27 1s1h s SER 28 Cb -0.09 0.43 -0.18 0.00 0.10 0.00 0.00 66.02 66.28 1s1h s SER 28 CO 0.02 -0.72 1.26 0.00 0.98 0.00 0.00 173.24 174.79 1s1h h THR 29 N 2.00 1.28 -3.11 2.02 1.03 -1.85 -0.60 112.91 113.69 1s1h h THR 29 Ca -0.24 -2.05 -0.62 0.00 -0.01 0.00 0.00 66.41 63.49 1s1h h THR 29 Cb 1.25 2.12 -0.11 0.00 -1.07 0.00 0.00 68.15 70.35 1s1h h THR 29 CO 0.31 0.64 -0.48 -0.75 -0.01 0.00 0.00 175.52 175.23 1s1h s LYS 30 N -3.61 4.00 0.30 0.00 2.47 -1.26 -4.72 119.74 116.92 1s1h s LYS 30 Ca -0.10 -0.19 -0.00 0.00 -1.56 0.00 0.00 55.97 54.12 1s1h s LYS 30 Cb 0.08 -3.36 0.45 0.00 -1.46 0.00 0.00 37.83 33.54 1s1h s LYS 30 CO 0.91 0.42 1.87 -0.39 0.16 0.00 0.00 175.35 178.32 1s1h h VAL 31 N 4.49 1.21 -0.19 4.02 -1.51 -1.99 -2.45 116.25 119.84 1s1h h VAL 31 Ca -0.45 -0.70 -0.21 0.00 -1.23 0.00 0.00 66.70 64.12 1s1h h VAL 31 Cb 1.17 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1s1h h VAL 31 CO 0.71 0.27 -0.70 0.50 -1.23 0.00 0.00 177.57 177.13 1s1h h LYS 32 N 0.81 0.76 -0.26 5.19 1.63 -1.99 -2.49 116.57 120.22 1s1h h LYS 32 Ca 0.19 -0.57 -0.01 0.00 -0.85 0.00 0.00 60.65 59.41 1s1h h LYS 32 Cb 0.21 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1s1h h LYS 32 CO -0.01 1.19 0.13 1.96 -3.45 0.00 0.00 179.45 179.27 1s1h h GLN 33 N 0.54 0.35 0.08 1.90 4.20 -1.85 0.54 115.11 120.88 1s1h h GLN 33 Ca -0.03 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 1s1h h GLN 33 Cb 1.31 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 29.04 1s1h h GLN 33 CO 0.14 0.27 -0.90 -0.07 -0.67 0.00 0.00 178.83 177.59 1s1h h LEU 34 N 0.36 0.65 -0.95 1.46 3.38 -1.53 -2.59 115.31 116.08 1s1h h LEU 34 Ca 0.09 -0.84 0.03 0.00 0.09 0.00 0.00 57.88 57.26 1s1h h LEU 34 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1s1h h LEU 34 CO -0.01 1.42 0.62 -0.33 0.09 0.00 0.00 178.44 180.23 1s1h h GLU 35 N -0.03 1.18 0.23 1.13 4.39 -0.68 0.92 114.58 121.71 1s1h h GLU 35 Ca -0.14 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1s1h h GLU 35 Cb 1.63 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1s1h h GLU 35 CO 0.17 0.78 -0.11 -0.91 -1.16 0.00 0.00 179.01 177.79 1s1h h ASN 36 N 1.22 -0.26 0.56 1.42 2.35 -1.09 -2.49 115.58 117.29 1s1h h ASN 36 Ca 0.37 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1s1h h ASN 36 Cb -0.03 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.41 1s1h h ASN 36 CO -0.11 0.07 -0.27 -0.37 -1.65 0.00 0.00 177.43 175.10 1s1h h VAL 37 N -0.61 0.43 0.00 2.81 -1.51 -0.58 -2.19 116.25 114.60 1s1h h VAL 37 Ca -0.03 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 65.26 1s1h h VAL 37 Cb 0.44 0.49 -0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1s1h h VAL 37 CO 0.05 0.02 -0.15 0.77 -1.23 0.00 0.00 177.57 177.04 1s1h h SER 38 N -0.84 0.00 -0.18 4.19 4.64 0.64 -0.54 113.55 121.46 1s1h h SER 38 Ca -0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 1s1h h SER 38 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1s1h h SER 38 CO 0.13 0.15 -0.31 -1.28 -0.87 0.00 0.00 176.83 174.65 1s1h h SER 39 N 0.00 0.70 -0.28 4.97 0.87 -1.00 -2.52 113.55 116.29 1s1h h SER 39 Ca -0.00 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1s1h h SER 39 Cb 0.27 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1s1h h SER 39 CO 0.02 0.96 0.15 -1.13 -0.53 0.00 0.00 176.83 176.30 1s1h h ASN 40 N 0.57 0.35 -0.01 6.23 -0.73 -0.49 -1.92 115.58 119.59 1s1h h ASN 40 Ca 0.07 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1s1h h ASN 40 Cb 0.81 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 1s1h h ASN 40 CO 0.07 0.35 -0.02 0.40 -0.37 0.00 0.00 177.43 177.85 1s1h h ILE 41 N 0.33 1.07 -0.18 2.57 5.03 -1.38 -1.17 117.51 123.78 1s1h h ILE 41 Ca 0.10 -0.26 -0.04 0.00 -0.12 0.00 0.00 64.86 64.53 1s1h h ILE 41 Cb 0.07 1.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.90 1s1h h ILE 41 CO -0.02 0.08 -0.05 0.58 -0.68 0.00 0.00 178.15 178.07 1s1h h VAL 42 N 0.10 1.29 -0.50 1.67 2.07 -0.91 -3.09 116.25 116.88 1s1h h VAL 42 Ca 0.03 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 1s1h h VAL 42 Cb 0.11 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1s1h h VAL 42 CO 0.00 0.31 -0.09 0.50 0.02 0.00 0.00 177.57 178.31 1s1h h LYS 43 N 0.06 0.95 0.29 1.57 1.63 -0.96 -2.96 116.57 117.14 1s1h h LYS 43 Ca 0.04 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1s1h h LYS 43 Cb 0.49 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1s1h h LYS 43 CO 0.02 1.02 -0.14 -0.91 -3.45 0.00 0.00 179.45 175.99 1s1h h ASN 44 N 0.81 -0.33 0.20 4.20 -0.26 -1.32 -2.88 115.58 116.01 1s1h h ASN 44 Ca 0.13 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1s1h h ASN 44 Cb 0.65 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1s1h h ASN 44 CO 0.04 -0.06 -0.05 0.00 -1.06 0.00 0.00 177.43 176.31 1s1h h ALA 45 N 0.04 1.32 -0.30 -0.83 0.00 -1.61 -0.95 119.26 116.91 1s1h h ALA 45 Ca -0.04 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1s1h h ALA 45 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1s1h h ALA 45 CO 0.06 0.06 0.27 0.93 0.00 0.00 0.00 179.25 180.58 1s1h h GLU 46 N 0.00 0.00 -0.09 0.00 4.39 -1.33 -0.84 114.58 116.71 1s1h h GLU 46 Ca -0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1s1h h GLU 46 Cb 0.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1s1h h GLU 46 CO 0.01 0.00 -0.72 1.96 -1.16 0.00 0.00 179.01 179.10 1s1h h GLN 47 N 0.00 0.43 -1.86 2.33 1.08 -1.30 -3.41 115.11 112.38 1s1h h GLN 47 Ca 0.14 -0.35 -0.53 0.00 -1.45 0.00 0.00 58.65 56.47 1s1h h GLN 47 Cb 0.69 0.07 -0.37 0.00 -0.05 0.00 0.00 27.48 27.81 1s1h h GLN 47 CO -0.00 0.98 -1.08 0.72 -0.95 0.00 0.00 178.83 178.50 1s1h n HIS 48 N -3.85 -0.50 -3.35 2.96 8.25 -0.33 -5.05 115.22 113.35 1s1h n HIS 48 Ca -0.04 -3.47 0.00 0.00 -0.26 0.00 0.00 57.72 53.94 1s1h n HIS 48 Cb 0.70 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1s1h n HIS 48 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1s1h n ASN 49 N 1.27 0.00 -3.32 0.41 6.94 -1.18 -2.12 115.26 117.26 1s1h n ASN 49 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1s1h n ASN 49 Cb 0.55 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1s1h n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s1h n LEU 50 N 0.00 0.00 -4.52 -4.53 -0.00 -1.15 -4.92 117.00 101.89 1s1h n LEU 50 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 1s1h n LEU 50 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1s1h n LEU 50 CO 0.00 -0.10 -0.27 0.54 -0.00 0.00 0.00 177.39 177.56 1s1h s VAL 51 N 0.00 4.50 0.95 1.47 0.11 -1.26 -4.66 120.40 121.51 1s1h s VAL 51 Ca 0.00 -0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 1s1h s VAL 51 Cb 0.00 -3.08 0.09 0.00 -1.53 0.00 0.00 36.38 31.87 1s1h s VAL 51 CO 0.00 0.38 0.72 1.17 -3.33 0.00 0.00 175.10 174.04 1s1h n LYS 52 N 4.40 -0.44 0.24 1.54 4.81 -1.26 -4.85 118.16 122.60 1s1h n LYS 52 Ca -0.16 -0.08 0.10 0.00 -0.87 0.00 0.00 58.31 57.31 1s1h n LYS 52 Cb 0.52 -2.08 0.58 0.00 0.02 0.00 0.00 35.03 34.07 1s1h n LYS 52 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1s1h h LYS 53 N -1.74 0.00 0.00 1.64 1.63 -1.29 -3.49 116.57 113.32 1s1h h LYS 53 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1s1h h LYS 53 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1s1h h LYS 53 CO 0.37 0.19 0.00 0.41 -3.45 0.00 0.00 179.45 176.98 1s1h n GLY 54 N -0.34 1.48 3.49 5.01 0.00 -1.26 -4.84 105.19 108.72 1s1h n GLY 54 Ca -0.01 -1.49 -0.46 0.00 0.00 0.00 0.00 46.02 44.07 1s1h n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s1h n PRO 55 N 1.89 0.99 -3.18 1.61 -0.04 -1.26 -3.99 135.00 131.02 1s1h n PRO 55 Ca 0.00 0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 1s1h n PRO 55 Cb 0.00 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.79 1s1h n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1s1h s VAL 56 N 8.70 4.67 0.03 0.52 0.11 -1.26 -4.81 120.40 128.36 1s1h s VAL 56 Ca 1.10 1.35 -0.27 0.00 -2.93 0.00 0.00 61.98 61.24 1s1h s VAL 56 Cb -0.72 -3.97 -0.17 0.00 -1.53 0.00 0.00 36.38 29.99 1s1h s VAL 56 CO 0.43 0.52 1.40 0.08 -3.33 0.00 0.00 175.10 174.20 1s1h h ARG 57 N 4.68 -0.43 -4.74 1.54 0.11 -1.91 -2.47 114.38 111.16 1s1h h ARG 57 Ca -0.48 0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1s1h h ARG 57 Cb 1.21 0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.36 1s1h h ARG 57 CO 0.65 -0.16 -0.74 1.28 0.10 0.00 0.00 179.97 181.10 1s1h n LEU 58 N -5.19 -4.60 -4.25 0.08 7.99 -1.26 -3.88 117.00 105.88 1s1h n LEU 58 Ca -0.10 2.09 -0.35 0.00 -0.01 0.00 0.00 56.01 57.64 1s1h n LEU 58 Cb 0.25 -2.63 0.07 0.00 -0.11 0.00 0.00 43.42 41.00 1s1h n LEU 58 CO 0.33 -2.76 -0.59 -0.81 -1.51 0.00 0.00 177.39 172.05 1s1h n PRO 59 N 1.95 -0.03 -3.62 3.23 -0.04 -1.26 -4.05 135.00 131.17 1s1h n PRO 59 Ca -0.08 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 63.04 1s1h n PRO 59 Cb 0.12 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 1s1h n PRO 59 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1s1h s THR 60 N -2.10 5.35 -0.09 0.52 2.01 -1.26 -4.57 115.64 115.49 1s1h s THR 60 Ca 0.52 0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.88 1s1h s THR 60 Cb -0.26 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1s1h s THR 60 CO 0.71 0.41 0.03 -1.59 -0.69 0.00 0.00 174.62 173.49 1s1h s LYS 61 N 0.45 3.09 -0.11 4.92 0.00 -1.12 -4.92 119.74 122.05 1s1h s LYS 61 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 55.97 55.70 1s1h s LYS 61 Cb -0.12 -2.88 -0.04 0.00 0.00 0.00 0.00 37.83 34.80 1s1h s LYS 61 CO 0.01 0.71 0.06 0.08 0.00 0.00 0.00 175.35 176.21 1s1h s VAL 62 N -0.88 4.79 -0.10 1.79 1.01 -1.26 -1.59 120.40 124.16 1s1h s VAL 62 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1s1h s VAL 62 Cb -0.11 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1s1h s VAL 62 CO 0.03 0.59 -0.21 -0.76 0.00 0.00 0.00 175.10 174.74 1s1h s LEU 63 N -0.75 2.25 -0.20 3.92 1.02 -1.15 -4.94 118.68 118.82 1s1h s LEU 63 Ca 0.12 -0.49 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 1s1h s LEU 63 Cb -0.12 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.61 1s1h s LEU 63 CO 0.03 0.19 0.01 -0.54 0.02 0.00 0.00 176.35 176.05 1s1h s LYS 64 N 0.20 3.67 -0.07 1.70 3.01 -1.26 -1.37 119.74 125.61 1s1h s LYS 64 Ca -0.13 -0.50 0.02 0.00 -1.01 0.00 0.00 55.97 54.36 1s1h s LYS 64 Cb -0.16 -3.10 0.01 0.00 -1.01 0.00 0.00 37.83 33.57 1s1h s LYS 64 CO 0.07 0.05 -0.13 -1.50 0.51 0.00 0.00 175.35 174.34 1s1h s ILE 65 N 0.92 1.22 -0.28 2.17 2.07 0.20 -4.97 121.20 122.54 1s1h s ILE 65 Ca 0.02 -0.52 -0.05 0.00 -1.41 0.00 0.00 60.65 58.69 1s1h s ILE 65 Cb -0.14 -1.12 0.02 0.00 0.13 0.00 0.00 42.46 41.35 1s1h s ILE 65 CO 0.02 0.38 0.02 -0.44 -1.91 0.00 0.00 174.94 173.01 1s1h s SER 66 N 0.73 4.82 0.36 4.50 0.01 -1.26 -1.63 113.70 121.22 1s1h s SER 66 Ca -0.13 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.29 1s1h s SER 66 Cb -0.16 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1s1h s SER 66 CO 0.03 -0.17 0.53 1.07 0.41 0.00 0.00 173.24 175.10 1s1h n THR 67 N 4.78 0.00 -2.14 1.44 5.66 -1.19 -4.99 114.28 117.84 1s1h n THR 67 Ca -0.15 -1.69 -0.41 0.00 -3.05 0.00 0.00 64.05 58.75 1s1h n THR 67 Cb 0.47 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.32 1s1h n THR 67 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1s1h s ARG 68 N -2.71 4.37 0.09 1.09 0.52 -1.26 -3.11 118.95 117.92 1s1h s ARG 68 Ca 0.28 2.18 -0.23 0.00 -0.52 0.00 0.00 55.73 57.43 1s1h s ARG 68 Cb -0.01 -3.10 -0.15 0.00 0.52 0.00 0.00 34.95 32.20 1s1h s ARG 68 CO 0.20 -0.21 1.72 -0.22 0.02 0.00 0.00 175.30 176.81 1s1h h LYS 69 N 4.00 0.01 -6.46 3.54 3.64 -1.70 -3.43 116.57 116.16 1s1h h LYS 69 Ca -0.48 -0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.48 1s1h h LYS 69 Cb 1.22 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1s1h h LYS 69 CO 0.69 0.03 -0.25 -0.08 -2.27 0.00 0.00 179.45 177.58 1s1h s THR 70 N -6.10 2.95 1.01 1.00 -1.32 -1.26 -5.08 115.64 106.85 1s1h s THR 70 Ca -0.13 -0.99 -0.16 0.00 -1.21 0.00 0.00 61.69 59.20 1s1h s THR 70 Cb 0.06 -2.96 0.20 0.00 -1.51 0.00 0.00 72.50 68.29 1s1h s THR 70 CO 0.66 0.00 1.20 -2.16 -2.21 0.00 0.00 174.62 172.12 1s1h s PRO 71 N -4.38 0.28 -0.17 7.08 0.04 -1.26 -4.86 135.00 131.74 1s1h s PRO 71 Ca 0.55 -0.10 -0.37 0.00 0.04 0.00 0.00 61.00 61.12 1s1h s PRO 71 Cb -0.10 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.53 1s1h s PRO 71 CO 0.33 -2.70 1.81 -1.71 0.04 0.00 0.00 177.00 174.77 1s1h n ASN 72 N -4.04 2.94 0.00 6.66 2.85 -1.26 -4.38 115.26 118.03 1s1h n ASN 72 Ca 0.12 1.02 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 1s1h n ASN 72 Cb 0.59 -1.27 0.00 0.00 1.24 0.00 0.00 39.78 40.35 1s1h n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s1h n GLY 73 N 4.27 -0.50 3.76 8.20 0.00 -1.26 -5.13 105.19 114.53 1s1h n GLY 73 Ca 0.24 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1s1h n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s1h s GLU 74 N 0.00 4.55 -1.02 1.61 2.12 -1.26 -4.22 118.70 120.49 1s1h s GLU 74 Ca 0.00 1.93 -0.07 0.00 0.36 0.00 0.00 54.97 57.19 1s1h s GLU 74 Cb 0.00 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1s1h s GLU 74 CO 0.00 0.09 0.87 0.41 -0.54 0.00 0.00 175.26 176.09 1s1h n GLY 75 N 1.07 -1.16 0.26 -1.50 0.00 -1.26 -4.69 105.19 97.91 1s1h n GLY 75 Ca -0.01 0.56 0.13 0.00 0.00 0.00 0.00 46.02 46.69 1s1h n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s1h h SER 76 N -0.98 0.00 0.29 1.61 0.02 -1.93 -1.38 113.55 111.17 1s1h h SER 76 Ca -0.54 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 1s1h h SER 76 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1s1h h SER 76 CO 0.43 0.13 -0.17 0.11 -1.14 0.00 0.00 176.83 176.19 1s1h h LYS 77 N 0.00 0.00 -7.28 3.45 1.57 -1.95 -3.45 116.57 108.92 1s1h h LYS 77 Ca -0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1s1h h LYS 77 Cb 0.38 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.86 1s1h h LYS 77 CO 0.02 0.17 0.21 -0.08 -0.57 0.00 0.00 179.45 179.20 1s1h s THR 78 N -4.38 2.47 0.00 -0.16 -1.32 -0.52 -5.01 115.64 106.72 1s1h s THR 78 Ca -0.03 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1s1h s THR 78 Cb 0.14 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1s1h s THR 78 CO 0.64 -0.20 0.00 -2.67 -2.21 0.00 0.00 174.62 170.18 1s1h n TRP 79 N -4.12 0.00 0.00 9.09 2.14 -1.26 -4.05 117.44 119.24 1s1h n TRP 79 Ca 0.09 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.66 1s1h n TRP 79 Cb 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 1s1h n TRP 79 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1s1h n GLU 80 N 0.00 0.00 -5.16 -2.67 2.13 -1.18 -3.92 120.64 109.83 1s1h n GLU 80 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1s1h n GLU 80 Cb 0.00 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 1s1h n GLU 80 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1s1h s THR 81 N -2.00 2.31 0.07 6.31 -1.32 -1.26 -3.16 115.64 116.59 1s1h s THR 81 Ca 0.00 -0.98 0.07 0.00 -1.21 0.00 0.00 61.69 59.58 1s1h s THR 81 Cb 0.00 -1.86 -0.03 0.00 -1.51 0.00 0.00 72.50 69.10 1s1h s THR 81 CO 0.00 0.57 -0.20 -0.31 -2.21 0.00 0.00 174.62 172.47 1s1h s TYR 82 N -0.22 1.69 -0.14 9.09 2.02 -0.65 -4.98 117.35 124.16 1s1h s TYR 82 Ca -0.01 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1s1h s TYR 82 Cb -0.13 -0.96 0.04 0.00 -0.40 0.00 0.00 41.96 40.51 1s1h s TYR 82 CO 0.03 0.14 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.13 1s1h s GLU 83 N -1.59 1.04 -0.24 -0.62 -6.30 -1.25 -0.63 118.70 109.11 1s1h s GLU 83 Ca 0.05 -0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.25 1s1h s GLU 83 Cb -0.09 -1.67 0.07 0.00 0.00 0.00 0.00 34.13 32.43 1s1h s GLU 83 CO 0.03 -0.42 -0.02 1.41 0.02 0.00 0.00 175.26 176.29 1s1h s MET 84 N 1.79 1.33 0.02 4.30 1.75 -0.47 -4.92 119.30 123.09 1s1h s MET 84 Ca 0.02 -0.93 -0.26 0.00 -1.25 0.00 0.00 55.69 53.28 1s1h s MET 84 Cb -0.14 -2.47 -0.05 0.00 2.84 0.00 0.00 34.83 35.01 1s1h s MET 84 CO -0.07 -0.66 0.80 -0.98 -0.65 0.00 0.00 175.02 173.46 1s1h s ARG 85 N 1.49 4.51 -0.01 4.11 1.70 -1.26 -2.94 118.95 126.54 1s1h s ARG 85 Ca -0.02 1.12 0.07 0.00 -0.47 0.00 0.00 55.73 56.42 1s1h s ARG 85 Cb -0.18 -3.40 -0.02 0.00 -0.57 0.00 0.00 34.95 30.78 1s1h s ARG 85 CO -0.08 0.17 -0.23 0.42 -1.08 0.00 0.00 175.30 174.50 1s1h s ILE 86 N 0.33 1.80 0.14 4.99 -1.09 -0.62 -4.72 121.20 122.02 1s1h s ILE 86 Ca 0.41 -1.00 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 1s1h s ILE 86 Cb -0.20 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 1s1h s ILE 86 CO 0.23 0.48 0.12 -1.00 -1.23 0.00 0.00 174.94 173.55 1s1h s HIS 87 N -0.56 3.16 0.17 3.97 3.76 -0.23 -2.80 115.29 122.75 1s1h s HIS 87 Ca 0.09 0.01 0.05 0.00 -0.15 0.00 0.00 55.06 55.06 1s1h s HIS 87 Cb -0.09 -1.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 1s1h s HIS 87 CO -0.01 0.52 -0.10 0.21 -0.85 0.00 0.00 174.74 174.51 1s1h s LYS 88 N -2.92 1.17 -0.28 1.40 2.47 -1.26 -1.69 119.74 118.64 1s1h s LYS 88 Ca 0.30 -1.52 -0.09 0.00 -1.56 0.00 0.00 55.97 53.10 1s1h s LYS 88 Cb -0.11 -0.77 0.12 0.00 -1.46 0.00 0.00 37.83 35.62 1s1h s LYS 88 CO 0.23 0.09 0.61 1.03 0.16 0.00 0.00 175.35 177.46 1s1h s ARG 89 N -3.73 0.53 -0.15 4.03 1.81 0.23 -4.50 118.95 117.17 1s1h s ARG 89 Ca 0.20 1.37 -0.15 0.00 -1.72 0.00 0.00 55.73 55.42 1s1h s ARG 89 Cb 0.02 0.77 -0.12 0.00 -0.45 0.00 0.00 34.95 35.17 1s1h s ARG 89 CO 0.03 -0.22 0.21 1.88 -0.68 0.00 0.00 175.30 176.52 1s1h h TYR 90 N 8.03 0.00 -5.62 -0.53 0.05 -1.60 0.56 116.97 117.86 1s1h h TYR 90 Ca -0.18 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.29 1s1h h TYR 90 Cb 1.10 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.86 1s1h h TYR 90 CO 0.18 0.65 -0.97 -0.89 -1.05 0.00 0.00 178.16 176.08 1s1h n ILE 91 N -4.61 -3.02 -2.39 -2.88 5.41 -1.26 -3.57 119.36 107.04 1s1h n ILE 91 Ca -0.13 0.06 -0.34 0.00 1.00 0.00 0.00 62.75 63.34 1s1h n ILE 91 Cb 0.37 -2.76 -0.02 0.00 -0.71 0.00 0.00 39.64 36.52 1s1h n ILE 91 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1s1h s ASP 92 N -1.15 6.12 -0.29 4.38 1.01 -1.26 -4.55 116.67 120.93 1s1h s ASP 92 Ca 0.31 1.95 -0.01 0.00 0.71 0.00 0.00 52.55 55.51 1s1h s ASP 92 Cb -0.03 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.43 1s1h s ASP 92 CO 0.70 -0.94 0.07 -0.22 0.21 0.00 0.00 175.17 174.99 1s1h s LEU 93 N -3.75 2.34 0.69 1.23 2.96 -0.58 -0.90 118.68 120.66 1s1h s LEU 93 Ca 0.67 -1.53 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1s1h s LEU 93 Cb -0.18 -0.92 0.05 0.00 0.50 0.00 0.00 46.19 45.64 1s1h s LEU 93 CO 0.25 -0.38 1.01 -0.70 -1.32 0.00 0.00 176.35 175.21 1s1h s GLU 94 N 1.57 2.38 -0.59 1.98 2.12 -1.26 0.39 118.70 125.30 1s1h s GLU 94 Ca 0.07 -0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.10 1s1h s GLU 94 Cb -0.17 -2.16 0.03 0.00 0.26 0.00 0.00 34.13 32.08 1s1h s GLU 94 CO -0.20 -1.14 0.64 0.00 -0.54 0.00 0.00 175.26 174.02 1s1h n ALA 95 N -2.89 -2.62 -1.82 6.30 0.00 -1.26 -3.49 120.51 114.73 1s1h n ALA 95 Ca 0.07 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1s1h n ALA 95 Cb 0.60 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 1s1h n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s1h s PRO 96 N -3.22 3.76 0.00 0.00 0.04 -1.26 -2.91 135.00 131.41 1s1h s PRO 96 Ca 0.20 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1s1h s PRO 96 Cb -0.03 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1s1h s PRO 96 CO 0.84 -0.43 0.00 1.55 0.04 0.00 0.00 177.00 179.00 1s1h n VAL 97 N -1.94 0.00 -0.00 -0.36 3.14 -1.25 -4.96 118.33 112.96 1s1h n VAL 97 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1s1h n VAL 97 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1s1h n VAL 97 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s1h n GLN 98 N 0.00 0.48 -0.19 1.45 3.00 -1.23 -3.36 117.38 117.54 1s1h n GLN 98 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1s1h n GLN 98 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 30.24 29.02 1s1h n GLN 98 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1s1h h ILE 99 N 1.19 1.26 -0.84 5.09 2.04 -1.78 -2.87 117.51 121.60 1s1h h ILE 99 Ca 0.00 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.71 1s1h h ILE 99 Cb 0.48 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1s1h h ILE 99 CO 0.00 0.43 0.55 -0.37 0.00 0.00 0.00 178.15 178.76 1s1h h VAL 100 N 0.93 1.13 -0.14 1.67 -1.51 -1.86 -0.62 116.25 115.85 1s1h h VAL 100 Ca 0.16 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 1s1h h VAL 100 Cb 0.60 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.76 1s1h h VAL 100 CO 0.04 0.19 -0.00 0.50 -1.23 0.00 0.00 177.57 177.07 1s1h h LYS 101 N 1.04 0.24 -0.15 5.19 1.63 -1.80 0.91 116.57 123.63 1s1h h LYS 101 Ca 0.34 -0.08 -0.10 0.00 -0.85 0.00 0.00 60.65 59.96 1s1h h LYS 101 Cb 0.04 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1s1h h LYS 101 CO -0.10 0.48 -0.36 -0.09 -3.45 0.00 0.00 179.45 175.93 1s1h h ARG 102 N -0.02 0.30 -0.04 1.90 9.65 -1.40 -3.06 114.38 121.72 1s1h h ARG 102 Ca 0.04 -0.13 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1s1h h ARG 102 Cb 0.37 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1s1h h ARG 102 CO 0.01 0.63 -0.34 0.82 2.80 0.00 0.00 179.97 183.88 1s1h h ILE 103 N 0.26 1.46 0.27 1.20 1.08 -1.07 -3.34 117.51 117.37 1s1h h ILE 103 Ca 0.03 -1.85 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 1s1h h ILE 103 Cb 0.76 2.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 1s1h h ILE 103 CO 0.06 0.52 -0.29 0.74 -0.69 0.00 0.00 178.15 178.49 1s1h h THR 104 N -0.25 0.38 0.00 -0.27 2.02 -0.70 -2.88 112.91 111.21 1s1h h THR 104 Ca -0.03 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.96 1s1h h THR 104 Cb 1.04 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1s1h h THR 104 CO 0.07 0.00 -0.86 1.56 0.37 0.00 0.00 175.52 176.66 1s1h h GLN 105 N -0.61 0.12 0.00 6.66 4.20 -1.79 -3.39 115.11 120.31 1s1h h GLN 105 Ca -0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1s1h h GLN 105 Cb 0.56 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1s1h h GLN 105 CO -0.07 0.91 -0.07 0.97 -0.67 0.00 0.00 178.83 179.90 1s1h h ILE 106 N 0.07 0.60 -3.04 2.54 6.09 -1.63 -3.47 117.51 118.67 1s1h h ILE 106 Ca -0.03 -0.28 -0.47 0.00 -1.37 0.00 0.00 64.86 62.71 1s1h h ILE 106 Cb 1.49 1.17 0.22 0.00 0.47 0.00 0.00 36.82 40.18 1s1h h ILE 106 CO 0.12 0.06 -0.47 0.35 -3.07 0.00 0.00 178.15 175.15 1s1h n THR 107 N -3.81 0.00 0.00 2.19 -2.24 -1.25 -5.03 114.28 104.13 1s1h n THR 107 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1s1h n THR 107 Cb 0.16 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1s1h n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1h n ILE 108 N -4.48 0.00 -1.52 2.28 0.13 -1.26 -5.12 119.36 109.39 1s1h n ILE 108 Ca 0.04 0.00 -0.49 0.00 -1.10 0.00 0.00 62.75 61.20 1s1h n ILE 108 Cb 0.57 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.33 1s1h n ILE 108 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1s1h n GLU 109 N 0.00 0.76 -2.48 9.51 -0.58 -1.26 -5.00 120.64 121.59 1s1h n GLU 109 Ca 0.00 0.27 -0.24 0.00 -0.42 0.00 0.00 57.16 56.77 1s1h n GLU 109 Cb 0.00 -1.60 0.04 0.00 -0.57 0.00 0.00 31.44 29.31 1s1h n GLU 109 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1s1h s PRO 110 N -0.77 2.60 0.00 3.49 0.02 -1.26 -4.26 135.00 134.82 1s1h s PRO 110 Ca 0.69 -0.36 0.00 0.00 0.02 0.00 0.00 61.00 61.35 1s1h s PRO 110 Cb -0.89 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1s1h s PRO 110 CO 0.56 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1s1h n GLY 111 N -2.56 0.58 3.31 0.52 0.00 -1.26 -5.02 105.19 100.75 1s1h n GLY 111 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1s1h n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1h s VAL 112 N -2.28 1.97 -0.22 1.61 1.01 -1.26 -4.17 120.40 117.05 1s1h s VAL 112 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1s1h s VAL 112 Cb 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.75 1s1h s VAL 112 CO 0.00 0.32 -0.05 -0.62 0.00 0.00 0.00 175.10 174.76 1s1h s ASP 113 N -1.18 3.62 -0.05 3.32 2.15 -1.09 -5.06 116.67 118.38 1s1h s ASP 113 Ca 0.10 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 52.05 1s1h s ASP 113 Cb -0.10 -1.09 -0.02 0.00 -0.30 0.00 0.00 42.92 41.41 1s1h s ASP 113 CO 0.02 -0.23 -0.16 0.54 -0.17 0.00 0.00 175.17 175.16 1s1h s VAL 114 N 1.47 2.88 0.04 1.11 0.11 -1.26 -3.02 120.40 121.72 1s1h s VAL 114 Ca -0.04 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 1s1h s VAL 114 Cb -0.18 -2.12 -0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1s1h s VAL 114 CO -0.07 0.58 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.48 1s1h s GLU 115 N -0.59 0.68 0.18 1.54 2.56 -0.93 -5.02 118.70 117.12 1s1h s GLU 115 Ca 0.08 -0.69 0.11 0.00 0.00 0.00 0.00 54.97 54.47 1s1h s GLU 115 Cb -0.11 -0.59 -0.04 0.00 2.00 0.00 0.00 34.13 35.38 1s1h s GLU 115 CO 0.01 0.14 -0.23 0.08 -0.56 0.00 0.00 175.26 174.69 1s1h s VAL 116 N -0.99 2.23 -2.00 3.70 1.01 -1.26 -1.26 120.40 121.82 1s1h s VAL 116 Ca -0.03 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.02 1s1h s VAL 116 Cb -0.08 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.37 1s1h s VAL 116 CO 0.01 -0.13 0.72 1.33 0.00 0.00 0.00 175.10 177.03