#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnt s GLU 2 N 0.00 0.66 0.00 0.00 2.56 -1.26 -5.17 118.70 115.50 1pnt s GLU 2 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 54.97 56.14 1pnt s GLU 2 Cb 0.00 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.30 1pnt s GLU 2 CO 0.00 -0.14 0.00 0.00 -0.56 0.00 0.00 175.26 174.56 1pnt n GLN 3 N 4.31 0.00 -4.35 4.30 10.64 -1.26 -5.18 117.38 125.83 1pnt n GLN 3 Ca -0.19 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.73 1pnt n GLN 3 Cb 0.58 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.88 1pnt n GLN 3 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1pnt s VAL 4 N 1.41 2.73 -0.25 -0.39 0.11 -1.26 -5.13 120.40 117.62 1pnt s VAL 4 Ca 0.00 -2.03 -0.09 0.00 -2.93 0.00 0.00 61.98 56.93 1pnt s VAL 4 Cb 0.00 -2.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 1pnt s VAL 4 CO 0.00 -0.25 0.13 0.28 -3.33 0.00 0.00 175.10 171.93 1pnt s THR 5 N -2.49 4.98 0.36 5.04 -1.32 -1.26 -4.80 115.64 116.15 1pnt s THR 5 Ca 0.34 0.05 0.08 0.00 -1.21 0.00 0.00 61.69 60.94 1pnt s THR 5 Cb -0.02 -3.33 -0.03 0.00 -1.51 0.00 0.00 72.50 67.61 1pnt s THR 5 CO 0.19 0.33 0.24 -0.54 -2.21 0.00 0.00 174.62 172.63 1pnt s LYS 6 N 1.32 2.52 -0.12 7.08 1.02 -0.28 -4.99 119.74 126.30 1pnt s LYS 6 Ca 0.06 -1.47 -0.12 0.00 0.02 0.00 0.00 55.97 54.46 1pnt s LYS 6 Cb -0.15 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1pnt s LYS 6 CO 0.06 0.04 0.35 -1.54 -0.92 0.00 0.00 175.35 173.33 1pnt s SER 7 N -3.96 -0.35 -0.01 2.83 1.04 -1.26 -0.36 113.70 111.64 1pnt s SER 7 Ca 0.41 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.49 1pnt s SER 7 Cb -0.03 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1pnt s SER 7 CO 0.25 -0.15 -0.03 0.54 0.98 0.00 0.00 173.24 174.83 1pnt s VAL 8 N 0.03 0.26 -0.24 5.02 0.11 -0.27 -2.27 120.40 123.05 1pnt s VAL 8 Ca -0.01 -0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1pnt s VAL 8 Cb -0.03 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1pnt s VAL 8 CO 0.01 0.10 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.64 1pnt s LEU 9 N 0.22 3.16 -0.02 2.54 2.96 0.43 -1.88 118.68 126.09 1pnt s LEU 9 Ca -0.02 -0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 53.18 1pnt s LEU 9 Cb -0.05 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1pnt s LEU 9 CO -0.01 -0.07 0.61 -0.36 -1.32 0.00 0.00 176.35 175.21 1pnt s PHE 10 N 1.47 3.66 -0.04 5.38 0.08 0.51 -0.89 117.98 128.15 1pnt s PHE 10 Ca 0.04 1.20 0.03 0.00 0.12 0.00 0.00 56.93 58.33 1pnt s PHE 10 Cb -0.15 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 1pnt s PHE 10 CO -0.02 0.29 -0.13 0.08 -0.10 0.00 0.00 175.22 175.35 1pnt s VAL 11 N 0.04 1.10 0.37 -0.44 1.01 0.86 -1.21 120.40 122.12 1pnt s VAL 11 Ca 0.32 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1pnt s VAL 11 Cb -0.18 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1pnt s VAL 11 CO 0.17 0.33 0.23 0.00 0.00 0.00 0.00 175.10 175.83 1pnt h LEU 13 N 1.96 -0.10 0.00 0.00 5.85 -1.94 0.25 115.31 121.33 1pnt h LEU 13 Ca -0.28 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1pnt h LEU 13 Cb 1.25 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1pnt h LEU 13 CO 0.43 0.20 -1.39 0.61 -0.34 0.00 0.00 178.44 177.96 1pnt n GLY 14 N -0.34 -0.75 3.03 3.75 0.00 -1.26 -0.71 105.19 108.91 1pnt n GLY 14 Ca -0.08 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1pnt n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pnt n ASN 15 N -1.81 -5.71 0.00 1.61 4.05 -1.26 -4.72 115.26 107.42 1pnt n ASN 15 Ca -0.00 -0.28 0.00 0.00 0.45 0.00 0.00 54.58 54.75 1pnt n ASN 15 Cb 0.38 -4.63 0.00 0.00 1.23 0.00 0.00 39.78 36.76 1pnt n ASN 15 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1pnt n ILE 16 N -4.38 0.00 -0.03 -1.44 -5.35 -1.26 -4.47 119.36 102.42 1pnt n ILE 16 Ca -0.11 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1pnt n ILE 16 Cb 0.61 -0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 37.59 1pnt n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pnt h ARG 18 N -0.56 -0.06 0.00 0.00 3.08 -1.96 -3.32 114.38 111.56 1pnt h ARG 18 Ca -0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1pnt h ARG 18 Cb 0.62 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1pnt h ARG 18 CO -0.02 0.47 -0.56 0.66 -1.07 0.00 0.00 179.97 179.45 1pnt h SER 19 N -0.95 0.00 0.11 7.04 4.64 -1.90 -0.85 113.55 121.63 1pnt h SER 19 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1pnt h SER 19 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1pnt h SER 19 CO 0.01 0.56 -0.26 -0.65 -0.87 0.00 0.00 176.83 175.62 1pnt h PRO 20 N 0.00 0.26 -0.02 4.77 0.11 -1.86 0.23 132.00 135.49 1pnt h PRO 20 Ca -0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1pnt h PRO 20 Cb 0.99 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1pnt h PRO 20 CO 0.07 0.51 -0.01 0.82 -0.21 0.00 0.00 178.00 179.18 1pnt h ILE 21 N 0.23 1.35 -0.12 4.15 2.04 -1.49 -2.14 117.51 121.54 1pnt h ILE 21 Ca 0.04 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1pnt h ILE 21 Cb 0.59 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1pnt h ILE 21 CO 0.04 0.28 0.02 0.00 0.00 0.00 0.00 178.15 178.49 1pnt h ALA 22 N 0.57 0.12 -0.54 1.87 0.00 -0.81 -0.79 119.26 119.69 1pnt h ALA 22 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1pnt h ALA 22 Cb 0.47 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1pnt h ALA 22 CO 0.00 -0.44 0.17 1.49 0.00 0.00 0.00 179.25 180.48 1pnt h GLU 23 N 0.07 0.33 -0.42 0.00 4.81 -0.59 0.76 114.58 119.53 1pnt h GLU 23 Ca 0.06 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1pnt h GLU 23 Cb 0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1pnt h GLU 23 CO -0.08 0.22 -0.30 0.00 -0.73 0.00 0.00 179.01 178.12 1pnt h ALA 24 N 1.38 0.60 -0.18 2.92 0.00 -1.00 0.41 119.26 123.39 1pnt h ALA 24 Ca 0.27 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pnt h ALA 24 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pnt h ALA 24 CO -0.29 0.65 0.11 0.28 0.00 0.00 0.00 179.25 179.99 1pnt h VAL 25 N 0.78 1.08 -0.77 0.00 2.07 -0.96 -2.31 116.25 116.13 1pnt h VAL 25 Ca 0.08 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1pnt h VAL 25 Cb 0.88 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1pnt h VAL 25 CO 0.08 0.07 0.37 0.15 0.02 0.00 0.00 177.57 178.26 1pnt h PHE 26 N 0.21 1.11 -0.55 1.57 3.57 -0.59 -1.21 116.94 121.05 1pnt h PHE 26 Ca 0.06 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1pnt h PHE 26 Cb 0.02 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 1pnt h PHE 26 CO -0.05 0.81 0.32 0.00 -2.23 0.00 0.00 178.31 177.16 1pnt h ARG 27 N 1.08 0.75 -0.33 1.11 3.08 -0.74 -1.93 114.38 117.41 1pnt h ARG 27 Ca 0.26 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 1pnt h ARG 27 Cb 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1pnt h ARG 27 CO -0.03 0.54 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.90 1pnt h LYS 28 N 0.76 0.68 -0.15 0.04 1.63 -0.82 0.27 116.57 118.98 1pnt h LYS 28 Ca 0.20 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1pnt h LYS 28 Cb -0.01 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1pnt h LYS 28 CO -0.04 0.89 0.04 -0.07 -3.45 0.00 0.00 179.45 176.83 1pnt h LEU 29 N 0.59 0.22 -0.70 5.20 3.38 -0.60 0.21 115.31 123.60 1pnt h LEU 29 Ca 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1pnt h LEU 29 Cb 0.79 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1pnt h LEU 29 CO 0.06 0.37 0.20 0.58 0.09 0.00 0.00 178.44 179.74 1pnt h VAL 30 N 0.06 1.26 -0.62 1.22 2.07 -1.34 -1.82 116.25 117.08 1pnt h VAL 30 Ca 0.05 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1pnt h VAL 30 Cb 0.23 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1pnt h VAL 30 CO -0.00 0.36 0.20 0.74 0.02 0.00 0.00 177.57 178.89 1pnt h THR 31 N 1.04 1.25 0.00 2.57 2.02 -0.63 -1.12 112.91 118.04 1pnt h THR 31 Ca 0.22 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1pnt h THR 31 Cb 0.34 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1pnt h THR 31 CO -0.00 0.32 -0.17 0.44 0.37 0.00 0.00 175.52 176.48 1pnt h ASP 32 N 0.89 0.00 -0.56 4.18 3.32 -0.60 -2.53 116.42 121.12 1pnt h ASP 32 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1pnt h ASP 32 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1pnt h ASP 32 CO -0.01 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 1pnt n GLN 33 N -3.69 4.28 -2.38 3.56 6.02 -0.71 -4.94 117.38 119.51 1pnt n GLN 33 Ca -0.02 -3.03 -0.16 0.00 -0.01 0.00 0.00 57.00 53.79 1pnt n GLN 33 Cb 0.28 -2.09 -0.01 0.00 1.02 0.00 0.00 30.24 29.45 1pnt n GLN 33 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pnt n ASN 34 N 0.64 -4.63 -0.35 1.08 3.02 -0.91 -4.84 115.26 109.28 1pnt n ASN 34 Ca 0.26 0.13 0.05 0.00 -0.03 0.00 0.00 54.58 55.00 1pnt n ASN 34 Cb 1.06 -3.91 0.12 0.00 -0.61 0.00 0.00 39.78 36.43 1pnt n ASN 34 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1pnt n ILE 35 N -3.54 1.47 -0.31 2.41 -5.35 -0.47 -4.72 119.36 108.83 1pnt n ILE 35 Ca -0.18 -1.48 0.13 0.00 -0.27 0.00 0.00 62.75 60.94 1pnt n ILE 35 Cb 0.63 0.17 0.35 0.00 -1.74 0.00 0.00 39.64 39.06 1pnt n ILE 35 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1pnt h SER 36 N 0.84 0.71 0.00 7.28 0.02 -1.87 0.55 113.55 121.08 1pnt h SER 36 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pnt h SER 36 Cb 0.86 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1pnt h SER 36 CO 0.04 0.32 0.01 0.47 -1.14 0.00 0.00 176.83 176.53 1pnt n ASP 37 N -4.63 0.46 -0.58 3.07 8.00 -1.26 -1.32 116.55 120.29 1pnt n ASP 37 Ca 0.20 0.71 0.05 0.00 0.71 0.00 0.00 54.79 56.46 1pnt n ASP 37 Cb 0.52 -0.76 0.15 0.00 -0.02 0.00 0.00 41.12 41.01 1pnt n ASP 37 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pnt n ASN 38 N -2.12 2.93 -4.16 -2.24 3.02 0.18 -4.97 115.26 107.91 1pnt n ASN 38 Ca -0.01 -2.17 -0.25 0.00 -0.03 0.00 0.00 54.58 52.12 1pnt n ASN 38 Cb 0.04 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 38.80 1pnt n ASN 38 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1pnt s TRP 39 N -1.30 1.59 -0.21 3.10 0.52 -0.43 -1.12 118.94 121.09 1pnt s TRP 39 Ca 0.23 -0.34 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 1pnt s TRP 39 Cb 0.14 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.40 1pnt s TRP 39 CO 0.12 -0.06 -0.02 0.08 0.02 0.00 0.00 176.95 177.09 1pnt s VAL 40 N -0.29 3.64 0.06 4.03 1.01 0.51 -4.95 120.40 124.41 1pnt s VAL 40 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1pnt s VAL 40 Cb -0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1pnt s VAL 40 CO 0.00 0.42 -0.23 -0.63 0.00 0.00 0.00 175.10 174.67 1pnt s ILE 41 N 1.26 1.84 0.17 2.22 1.01 -1.26 -1.11 121.20 125.33 1pnt s ILE 41 Ca 0.03 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 1pnt s ILE 41 Cb -0.14 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.78 1pnt s ILE 41 CO -0.00 0.21 0.81 -0.62 0.00 0.00 0.00 174.94 175.33 1pnt s ASP 42 N -1.33 -0.31 0.03 3.58 2.15 -0.79 -4.98 116.67 115.02 1pnt s ASP 42 Ca 0.09 -0.33 0.01 0.00 0.43 0.00 0.00 52.55 52.75 1pnt s ASP 42 Cb -0.09 0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1pnt s ASP 42 CO 0.02 -1.01 -0.04 -0.94 -0.17 0.00 0.00 175.17 173.03 1pnt s SER 43 N -2.82 0.44 0.31 -0.34 1.04 -1.26 -0.37 113.70 110.70 1pnt s SER 43 Ca 0.09 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 1pnt s SER 43 Cb -0.03 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1pnt s SER 43 CO -0.01 -0.23 0.51 -0.83 0.98 0.00 0.00 173.24 173.65 1pnt s GLY 44 N -1.35 0.96 0.13 7.32 0.00 -0.35 -4.68 107.32 109.35 1pnt s GLY 44 Ca -0.12 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 43.52 1pnt s GLY 44 CO -0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 173.10 172.15 1pnt s ALA 45 N -3.38 2.70 0.06 3.20 0.00 -0.24 -2.02 121.76 122.07 1pnt s ALA 45 Ca 0.26 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 1pnt s ALA 45 Cb -0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 23.12 22.26 1pnt s ALA 45 CO 0.14 0.57 1.19 0.28 0.00 0.00 0.00 175.76 177.95 1pnt h VAL 46 N 3.45 1.32 -3.57 0.00 2.07 -0.04 0.16 116.25 119.64 1pnt h VAL 46 Ca -0.49 -2.13 -0.50 0.00 0.82 0.00 0.00 66.70 64.39 1pnt h VAL 46 Cb 1.17 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1pnt h VAL 46 CO 0.47 0.65 0.03 -0.55 0.02 0.00 0.00 177.57 178.20 1pnt s SER 47 N -7.10 6.55 0.00 0.57 0.15 0.11 -4.72 113.70 109.26 1pnt s SER 47 Ca -0.11 1.04 0.22 0.00 0.70 0.00 0.00 55.95 57.80 1pnt s SER 47 Cb 0.06 -2.28 0.14 0.00 -1.71 0.00 0.00 66.02 62.23 1pnt s SER 47 CO 0.89 -0.29 1.16 -0.90 1.20 0.00 0.00 173.24 175.30 1pnt n ASP 48 N -0.96 2.65 0.06 5.45 5.75 -1.26 -4.55 116.55 123.69 1pnt n ASP 48 Ca 0.01 -1.83 0.18 0.00 -0.01 0.00 0.00 54.79 53.15 1pnt n ASP 48 Cb 0.54 0.10 0.69 0.00 -1.03 0.00 0.00 41.12 41.41 1pnt n ASP 48 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1pnt h TRP 49 N 3.91 0.00 -0.07 2.11 2.91 -1.94 -2.60 115.95 120.26 1pnt h TRP 49 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1pnt h TRP 49 Cb 0.87 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1pnt h TRP 49 CO 0.00 0.00 0.00 0.09 -1.03 0.00 0.00 178.44 177.50 1pnt n ASN 50 N -4.37 2.61 -4.72 2.65 4.13 -1.26 -5.07 115.26 109.23 1pnt n ASN 50 Ca 0.07 -2.81 -0.37 0.00 1.68 0.00 0.00 54.58 53.15 1pnt n ASN 50 Cb 0.49 -0.36 0.06 0.00 -1.54 0.00 0.00 39.78 38.44 1pnt n ASN 50 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1pnt n VAL 51 N -0.97 4.64 0.00 2.41 0.24 -0.98 -1.96 118.33 121.71 1pnt n VAL 51 Ca 0.14 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1pnt n VAL 51 Cb 0.60 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1pnt n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pnt n GLY 52 N 0.93 2.99 3.81 7.63 0.00 0.21 -4.90 105.19 115.87 1pnt n GLY 52 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1pnt n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pnt s ARG 53 N -0.02 4.20 0.82 1.61 0.52 -0.83 -4.54 118.95 120.71 1pnt s ARG 53 Ca 0.00 1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 56.27 1pnt s ARG 53 Cb 0.00 -2.22 0.08 0.00 0.52 0.00 0.00 34.95 33.34 1pnt s ARG 53 CO 0.00 -0.06 1.10 -1.12 0.02 0.00 0.00 175.30 175.24 1pnt s SER 54 N -2.11 4.29 0.51 0.23 0.01 -1.26 -0.77 113.70 114.60 1pnt s SER 54 Ca 0.62 1.29 -0.21 0.00 1.31 0.00 0.00 55.95 58.95 1pnt s SER 54 Cb -0.11 -2.00 -0.06 0.00 0.21 0.00 0.00 66.02 64.06 1pnt s SER 54 CO 0.15 -2.10 1.18 -2.84 0.41 0.00 0.00 173.24 170.04 1pnt s PRO 55 N -5.15 3.46 0.28 12.44 0.02 -1.26 -4.87 135.00 139.92 1pnt s PRO 55 Ca 0.61 1.79 -0.27 0.00 0.02 0.00 0.00 61.00 63.15 1pnt s PRO 55 Cb -0.15 -2.21 -0.15 0.00 0.02 0.00 0.00 34.50 32.01 1pnt s PRO 55 CO 0.54 -0.80 0.69 -3.47 -0.33 0.00 0.00 177.00 173.63 1pnt n ASP 56 N -0.94 -0.30 0.26 2.53 -0.08 -0.59 -4.71 116.55 112.73 1pnt n ASP 56 Ca 0.10 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.60 1pnt n ASP 56 Cb 0.49 -1.10 0.73 0.00 2.34 0.00 0.00 41.12 43.58 1pnt n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pnt h PRO 57 N 1.31 0.00 -0.00 -0.67 0.11 -1.91 -1.27 132.00 129.56 1pnt h PRO 57 Ca -0.35 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.60 1pnt h PRO 57 Cb 1.40 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.48 1pnt h PRO 57 CO 0.57 0.10 -0.77 0.00 -0.21 0.00 0.00 178.00 177.70 1pnt h ARG 58 N 0.00 0.00 -0.17 1.05 3.08 -1.97 -0.64 114.38 115.74 1pnt h ARG 58 Ca -0.00 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1pnt h ARG 58 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1pnt h ARG 58 CO 0.01 0.77 -0.34 0.00 -1.07 0.00 0.00 179.97 179.34 1pnt h ALA 59 N 1.23 0.26 -0.15 0.04 0.00 -1.60 -1.45 119.26 117.60 1pnt h ALA 59 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1pnt h ALA 59 Cb 1.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1pnt h ALA 59 CO 0.10 0.32 0.04 0.28 0.00 0.00 0.00 179.25 179.99 1pnt h VAL 60 N 0.17 0.96 0.00 0.00 2.07 -1.17 -1.80 116.25 116.47 1pnt h VAL 60 Ca 0.00 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1pnt h VAL 60 Cb 0.94 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1pnt h VAL 60 CO 0.08 0.02 -0.28 0.77 0.02 0.00 0.00 177.57 178.18 1pnt h SER 61 N 0.11 0.00 -0.17 0.57 4.64 -1.18 -1.29 113.55 116.22 1pnt h SER 61 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1pnt h SER 61 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1pnt h SER 61 CO -0.07 0.28 0.04 0.00 -0.87 0.00 0.00 176.83 176.20 1pnt h LEU 63 N 0.08 0.95 -1.21 0.00 4.07 -1.05 -1.86 115.31 116.30 1pnt h LEU 63 Ca 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1pnt h LEU 63 Cb 0.29 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 1pnt h LEU 63 CO 0.00 0.68 0.35 0.03 -1.08 0.00 0.00 178.44 178.42 1pnt h ARG 64 N 1.12 0.90 -0.29 1.13 -0.00 -0.94 0.20 114.38 116.50 1pnt h ARG 64 Ca 0.32 -0.10 0.04 0.00 -0.50 0.00 0.00 59.98 59.74 1pnt h ARG 64 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 29.68 1pnt h ARG 64 CO -0.08 0.66 0.20 -0.91 0.00 0.00 0.00 179.97 179.84 1pnt h ASN 65 N 0.90 0.18 -0.62 7.04 2.35 -0.44 0.42 115.58 125.41 1pnt h ASN 65 Ca 0.23 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1pnt h ASN 65 Cb 0.03 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1pnt h ASN 65 CO -0.04 0.12 0.00 1.41 -1.65 0.00 0.00 177.43 177.28 1pnt n HIS 66 N -4.49 0.92 -1.01 1.19 8.25 0.40 -4.92 115.22 115.56 1pnt n HIS 66 Ca 0.03 -0.44 -0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1pnt n HIS 66 Cb 0.21 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1pnt n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pnt n GLY 67 N 1.43 0.45 3.52 -1.41 0.00 0.14 -5.03 105.19 104.29 1pnt n GLY 67 Ca 0.21 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1pnt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pnt s ILE 68 N -2.00 3.07 0.25 -0.61 1.01 0.43 -4.96 121.20 118.39 1pnt s ILE 68 Ca 0.00 -1.28 0.09 0.00 0.00 0.00 0.00 60.65 59.46 1pnt s ILE 68 Cb 0.00 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1pnt s ILE 68 CO 0.00 0.19 -0.14 0.20 0.00 0.00 0.00 174.94 175.20 1pnt s ASN 69 N -1.91 2.92 0.01 3.58 0.01 -1.26 -2.52 114.94 115.77 1pnt s ASN 69 Ca 0.18 -1.07 -0.11 0.00 -0.71 0.00 0.00 52.86 51.15 1pnt s ASN 69 Cb -0.11 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.37 1pnt s ASN 69 CO 0.10 -0.16 0.24 0.28 -1.51 0.00 0.00 177.10 176.05 1pnt s THR 70 N -2.85 0.08 -0.11 1.60 -1.32 -1.26 -4.93 115.64 106.85 1pnt s THR 70 Ca 0.26 -0.68 0.14 0.00 -1.21 0.00 0.00 61.69 60.21 1pnt s THR 70 Cb -0.01 -0.71 0.29 0.00 -1.51 0.00 0.00 72.50 70.57 1pnt s THR 70 CO 0.10 -0.37 1.14 0.00 -2.21 0.00 0.00 174.62 173.29 1pnt n ALA 71 N 1.03 2.64 -1.76 11.08 0.00 -1.26 -5.08 120.51 127.16 1pnt n ALA 71 Ca -0.21 -2.47 -0.39 0.00 0.00 0.00 0.00 53.44 50.38 1pnt n ALA 71 Cb 0.57 -0.45 0.01 0.00 0.00 0.00 0.00 19.45 19.58 1pnt n ALA 71 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pnt s HIS 72 N -1.96 2.63 -0.11 0.00 5.04 -1.26 -5.04 115.29 114.58 1pnt s HIS 72 Ca 0.28 1.37 0.03 0.00 -1.54 0.00 0.00 55.06 55.20 1pnt s HIS 72 Cb 0.27 -3.73 -0.01 0.00 0.04 0.00 0.00 32.58 29.15 1pnt s HIS 72 CO -0.04 -2.41 -0.20 0.15 -2.34 0.00 0.00 174.74 169.90 1pnt s LYS 73 N -2.47 3.17 0.23 2.88 1.02 -1.26 -4.27 119.74 119.04 1pnt s LYS 73 Ca 0.61 -0.81 -0.32 0.00 0.02 0.00 0.00 55.97 55.48 1pnt s LYS 73 Cb -0.39 -2.42 -0.14 0.00 -0.52 0.00 0.00 37.83 34.36 1pnt s LYS 73 CO 0.49 0.20 1.38 0.00 -0.92 0.00 0.00 175.35 176.50 1pnt n ALA 74 N 3.51 0.89 -2.42 5.17 0.00 0.05 -4.70 120.51 123.01 1pnt n ALA 74 Ca -0.19 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1pnt n ALA 74 Cb 0.53 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 1pnt n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1pnt s ARG 75 N -0.36 0.63 0.29 0.00 1.70 -1.26 0.67 118.95 120.63 1pnt s ARG 75 Ca 0.69 -1.07 -0.14 0.00 -0.47 0.00 0.00 55.73 54.74 1pnt s ARG 75 Cb -0.68 -0.07 -0.08 0.00 -0.57 0.00 0.00 34.95 33.55 1pnt s ARG 75 CO 0.50 -0.03 0.68 -1.14 -1.08 0.00 0.00 175.30 174.23 1pnt s GLN 76 N -3.01 3.97 0.42 3.89 0.74 -1.26 -1.08 119.66 123.33 1pnt s GLN 76 Ca 0.02 0.58 -0.24 0.00 0.05 0.00 0.00 55.36 55.77 1pnt s GLN 76 Cb 0.00 -2.53 -0.08 0.00 1.10 0.00 0.00 33.01 31.50 1pnt s GLN 76 CO -0.04 0.22 1.12 0.08 -0.55 0.00 0.00 175.29 176.11 1pnt s VAL 77 N -1.90 3.37 0.37 1.34 1.01 0.04 -4.74 120.40 119.90 1pnt s VAL 77 Ca 0.51 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1pnt s VAL 77 Cb -0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1pnt s VAL 77 CO 0.19 0.01 0.08 0.42 0.00 0.00 0.00 175.10 175.79 1pnt s THR 78 N -1.57 1.01 0.33 3.92 -4.23 -1.26 -4.99 115.64 108.84 1pnt s THR 78 Ca 0.60 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1pnt s THR 78 Cb -0.26 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 71.19 1pnt s THR 78 CO 0.32 0.00 1.93 0.11 -0.54 0.00 0.00 174.62 176.44 1pnt h LYS 79 N 1.93 0.74 0.00 3.99 1.57 -1.97 -1.97 116.57 120.87 1pnt h LYS 79 Ca -0.39 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1pnt h LYS 79 Cb 1.26 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1pnt h LYS 79 CO 0.66 0.60 -0.08 0.93 -0.57 0.00 0.00 179.45 180.99 1pnt h GLU 80 N 0.74 0.00 -1.00 3.15 3.07 -2.00 -2.78 114.58 115.76 1pnt h GLU 80 Ca 0.18 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.18 1pnt h GLU 80 Cb 0.12 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.94 1pnt h GLU 80 CO -0.02 0.08 0.63 -0.44 -1.40 0.00 0.00 179.01 177.85 1pnt h ASP 81 N 0.00 0.88 0.96 1.42 3.32 -1.76 0.09 116.42 121.33 1pnt h ASP 81 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1pnt h ASP 81 Cb 0.61 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1pnt h ASP 81 CO 0.01 0.43 0.00 -0.26 -1.72 0.00 0.00 179.24 177.70 1pnt h PHE 82 N 0.92 0.00 -0.01 4.55 0.04 -1.63 -2.06 116.94 118.76 1pnt h PHE 82 Ca 0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.28 1pnt h PHE 82 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1pnt h PHE 82 CO -0.00 0.00 -0.40 1.33 -0.60 0.00 0.00 178.31 178.64 1pnt n VAL 83 N -2.75 0.00 -0.05 -0.55 0.24 -0.11 -1.77 118.33 113.34 1pnt n VAL 83 Ca 0.01 -0.30 -0.02 0.00 -2.04 0.00 0.00 64.34 61.99 1pnt n VAL 83 Cb 0.29 1.09 -0.12 0.00 -1.47 0.00 0.00 33.84 33.63 1pnt n VAL 83 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1pnt n THR 84 N -0.62 0.67 -3.60 3.34 -2.24 -0.44 -4.78 114.28 106.61 1pnt n THR 84 Ca 0.04 -0.54 -0.36 0.00 -2.27 0.00 0.00 64.05 60.92 1pnt n THR 84 Cb 0.25 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 1pnt n THR 84 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1pnt s PHE 85 N -2.61 3.64 0.13 4.78 0.08 -0.80 -4.94 117.98 118.28 1pnt s PHE 85 Ca -0.07 0.82 -0.12 0.00 0.12 0.00 0.00 56.93 57.68 1pnt s PHE 85 Cb 0.06 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1pnt s PHE 85 CO 0.62 0.60 1.48 -0.44 -0.10 0.00 0.00 175.22 177.38 1pnt h ASP 86 N 4.24 0.95 -4.54 1.36 3.32 -1.78 -3.33 116.42 116.63 1pnt h ASP 86 Ca -0.51 -0.45 -0.24 0.00 0.02 0.00 0.00 57.03 55.85 1pnt h ASP 86 Cb 1.21 -0.27 -0.23 0.00 0.22 0.00 0.00 39.33 40.26 1pnt h ASP 86 CO 0.64 1.20 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.32 1pnt s TYR 87 N -4.44 0.42 -0.27 4.55 1.51 -0.98 -1.80 117.35 116.33 1pnt s TYR 87 Ca -0.11 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1pnt s TYR 87 Cb 0.11 -0.26 0.07 0.00 -0.11 0.00 0.00 41.96 41.76 1pnt s TYR 87 CO 0.87 -0.09 -0.08 0.42 -1.11 0.00 0.00 175.55 175.56 1pnt s ILE 88 N -1.00 2.15 -0.18 2.71 1.01 0.02 -0.43 121.20 125.47 1pnt s ILE 88 Ca -0.08 -1.74 -0.04 0.00 0.00 0.00 0.00 60.65 58.79 1pnt s ILE 88 Cb -0.07 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1pnt s ILE 88 CO -0.00 -0.14 -0.04 -0.76 0.00 0.00 0.00 174.94 174.00 1pnt s LEU 89 N 1.08 3.09 0.44 2.97 1.43 -0.06 -1.18 118.68 126.45 1pnt s LEU 89 Ca -0.05 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1pnt s LEU 89 Cb -0.20 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1pnt s LEU 89 CO -0.06 0.10 0.10 0.00 0.23 0.00 0.00 176.35 176.72 1pnt h MET 91 N 1.50 0.23 -4.67 0.00 0.00 -1.81 -0.80 114.93 109.39 1pnt h MET 91 Ca -0.43 -0.39 -0.37 0.00 0.00 0.00 0.00 59.70 58.51 1pnt h MET 91 Cb 1.26 0.15 -0.13 0.00 0.00 0.00 0.00 31.60 32.88 1pnt h MET 91 CO 0.74 1.19 -0.47 0.16 0.00 0.00 0.00 176.91 178.53 1pnt s ASP 92 N -7.03 1.09 0.29 1.22 1.47 -1.26 -1.01 116.67 111.43 1pnt s ASP 92 Ca -0.23 -1.59 -0.00 0.00 1.18 0.00 0.00 52.55 51.91 1pnt s ASP 92 Cb 0.06 0.52 0.43 0.00 -0.34 0.00 0.00 42.92 43.60 1pnt s ASP 92 CO 0.75 -1.04 1.83 1.05 0.68 0.00 0.00 175.17 178.44 1pnt h GLU 93 N 2.27 0.77 -0.60 2.11 4.11 -1.96 -1.24 114.58 120.05 1pnt h GLU 93 Ca -0.28 -0.16 0.01 0.00 0.07 0.00 0.00 59.36 58.99 1pnt h GLU 93 Cb 1.24 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1pnt h GLU 93 CO 0.41 0.72 0.40 0.77 0.07 0.00 0.00 179.01 181.38 1pnt h SER 94 N 0.74 0.69 -0.86 3.06 0.02 -1.99 0.50 113.55 115.72 1pnt h SER 94 Ca 0.16 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1pnt h SER 94 Cb 0.32 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1pnt h SER 94 CO 0.00 0.50 0.42 0.78 -1.14 0.00 0.00 176.83 177.39 1pnt h ASN 95 N 0.81 1.11 0.09 3.07 -0.26 -1.77 -0.63 115.58 118.01 1pnt h ASN 95 Ca 0.22 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1pnt h ASN 95 Cb -0.09 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 36.88 1pnt h ASN 95 CO -0.05 0.93 -0.05 0.25 -1.06 0.00 0.00 177.43 177.46 1pnt h LEU 96 N 1.22 -0.11 -0.61 1.61 5.85 0.06 0.28 115.31 123.61 1pnt h LEU 96 Ca 0.30 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1pnt h LEU 96 Cb 0.10 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1pnt h LEU 96 CO -0.04 0.01 0.33 0.03 -0.34 0.00 0.00 178.44 178.43 1pnt h ARG 97 N -0.22 0.60 -0.59 1.25 3.08 0.13 -1.66 114.38 116.96 1pnt h ARG 97 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1pnt h ARG 97 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1pnt h ARG 97 CO 0.02 0.40 0.37 -0.44 -1.07 0.00 0.00 179.97 179.25 1pnt h ASP 98 N 0.62 0.69 -0.56 7.04 3.32 -0.62 -2.29 116.42 124.62 1pnt h ASP 98 Ca 0.27 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1pnt h ASP 98 Cb 0.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1pnt h ASP 98 CO -0.18 0.52 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.70 1pnt h LEU 99 N 0.80 1.05 -1.37 1.55 3.38 -0.59 -2.61 115.31 117.52 1pnt h LEU 99 Ca 0.21 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1pnt h LEU 99 Cb -0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1pnt h LEU 99 CO -0.04 1.15 0.28 0.78 0.09 0.00 0.00 178.44 180.70 1pnt h ASN 100 N 0.94 0.63 -0.31 -0.43 2.35 -1.03 0.34 115.58 118.07 1pnt h ASN 100 Ca 0.15 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1pnt h ASN 100 Cb 0.67 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1pnt h ASN 100 CO 0.05 0.51 0.00 -0.09 -1.65 0.00 0.00 177.43 176.25 1pnt h ARG 101 N 0.72 0.55 -0.35 0.81 2.43 -1.17 -2.84 114.38 114.52 1pnt h ARG 101 Ca 0.19 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 1pnt h ARG 101 Cb 0.02 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1pnt h ARG 101 CO -0.03 0.68 -0.37 0.87 -1.51 0.00 0.00 179.97 179.61 1pnt h LYS 102 N 0.35 0.87 0.00 0.20 1.57 -1.07 -2.76 116.57 115.72 1pnt h LYS 102 Ca 0.09 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1pnt h LYS 102 Cb 0.43 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1pnt h LYS 102 CO 0.02 1.11 0.00 0.66 -0.57 0.00 0.00 179.45 180.67 1pnt h SER 103 N 0.66 0.00 -0.23 0.86 4.64 -0.87 0.89 113.55 119.51 1pnt h SER 103 Ca 0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1pnt h SER 103 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1pnt h SER 103 CO 0.09 0.00 -0.15 0.78 -0.87 0.00 0.00 176.83 176.68 1pnt h ASN 104 N 0.00 0.64 0.00 4.97 -0.26 -1.24 -0.94 115.58 118.75 1pnt h ASN 104 Ca 0.00 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 1pnt h ASN 104 Cb 0.10 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1pnt h ASN 104 CO 0.00 0.80 0.00 0.00 -1.06 0.00 0.00 177.43 177.17 1pnt n GLN 105 N -4.16 0.72 -3.82 0.81 6.02 0.31 -4.57 117.38 112.69 1pnt n GLN 105 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1pnt n GLN 105 Cb 0.37 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 30.35 1pnt n GLN 105 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pnt s VAL 106 N -2.00 3.68 0.03 5.09 1.01 -0.36 -5.03 120.40 122.82 1pnt s VAL 106 Ca 0.10 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1pnt s VAL 106 Cb 0.05 -2.84 -0.16 0.00 0.00 0.00 0.00 36.38 33.42 1pnt s VAL 106 CO 0.08 0.18 1.27 0.50 0.00 0.00 0.00 175.10 177.13 1pnt h LYS 107 N 8.17 -1.03 -1.77 2.72 3.64 -1.82 -3.30 116.57 123.19 1pnt h LYS 107 Ca -0.34 0.07 -0.72 0.00 -1.27 0.00 0.00 60.65 58.39 1pnt h LYS 107 Cb 1.13 0.23 -0.31 0.00 -0.41 0.00 0.00 32.23 32.88 1pnt h LYS 107 CO 0.59 -0.68 0.62 0.09 -2.27 0.00 0.00 179.45 177.81 1pnt n ASN 108 N -5.31 6.90 -4.66 4.20 4.13 -1.26 -4.99 115.26 114.26 1pnt n ASN 108 Ca -0.13 -3.81 -0.42 0.00 1.68 0.00 0.00 54.58 51.90 1pnt n ASN 108 Cb 0.42 -0.91 -0.03 0.00 -1.54 0.00 0.00 39.78 37.72 1pnt n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pnt n ARG 110 N 7.44 1.46 -2.64 0.00 -4.01 -0.73 -5.02 116.66 113.17 1pnt n ARG 110 Ca 0.19 -0.64 -0.38 0.00 -1.04 0.00 0.00 57.85 55.98 1pnt n ARG 110 Cb 0.41 -1.03 -0.05 0.00 -3.04 0.00 0.00 32.46 28.75 1pnt n ARG 110 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1pnt s ALA 111 N -0.87 3.24 -0.19 2.89 0.00 -0.92 -4.85 121.76 121.06 1pnt s ALA 111 Ca 0.06 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1pnt s ALA 111 Cb 0.05 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1pnt s ALA 111 CO 0.13 -0.00 0.21 0.21 0.00 0.00 0.00 175.76 176.31 1pnt s LYS 112 N -1.88 4.19 -0.17 0.00 2.20 -0.74 -4.93 119.74 118.40 1pnt s LYS 112 Ca 0.49 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 1pnt s LYS 112 Cb -0.24 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1pnt s LYS 112 CO 0.30 0.22 -0.09 0.42 -0.36 0.00 0.00 175.35 175.84 1pnt s ILE 113 N 0.57 3.19 0.23 5.43 1.01 -1.26 -0.80 121.20 129.56 1pnt s ILE 113 Ca 0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1pnt s ILE 113 Cb -0.12 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 1pnt s ILE 113 CO 0.01 0.48 0.44 -1.83 0.00 0.00 0.00 174.94 174.05 1pnt s GLU 114 N 0.87 1.46 0.12 2.79 -1.05 -0.33 -4.99 118.70 117.57 1pnt s GLU 114 Ca -0.02 -1.21 -0.30 0.00 -0.15 0.00 0.00 54.97 53.28 1pnt s GLU 114 Cb -0.15 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 1pnt s GLU 114 CO 0.01 -0.60 1.21 -0.51 0.95 0.00 0.00 175.26 176.32 1pnt s LEU 115 N -3.00 4.41 0.22 1.83 1.43 -1.26 -1.48 118.68 120.83 1pnt s LEU 115 Ca 0.21 2.14 -0.07 0.00 -1.03 0.00 0.00 54.13 55.38 1pnt s LEU 115 Cb 0.00 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.82 1pnt s LEU 115 CO 0.07 -0.44 1.78 0.25 0.23 0.00 0.00 176.35 178.24 1pnt h LEU 116 N 6.08 1.05 -0.78 1.79 5.85 -1.44 -1.40 115.31 126.47 1pnt h LEU 116 Ca -0.43 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1pnt h LEU 116 Cb 1.21 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1pnt h LEU 116 CO 0.79 0.95 0.00 0.61 -0.34 0.00 0.00 178.44 180.45 1pnt n GLY 117 N -0.85 -0.82 0.00 3.75 0.00 -1.25 -1.45 105.19 104.57 1pnt n GLY 117 Ca 0.07 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1pnt n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pnt n SER 118 N -1.96 0.00 -0.22 1.61 3.41 -0.53 -1.02 113.62 114.91 1pnt n SER 118 Ca -0.00 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1pnt n SER 118 Cb 0.06 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.57 1pnt n SER 118 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1pnt n TYR 119 N -1.45 0.00 -1.86 7.33 4.01 -0.53 -4.95 117.16 119.72 1pnt n TYR 119 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.35 1pnt n TYR 119 Cb 0.12 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1pnt n TYR 119 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1pnt s ASP 120 N -2.75 6.21 0.62 7.72 2.15 -0.19 -4.65 116.67 125.77 1pnt s ASP 120 Ca 0.14 2.03 0.35 0.00 0.43 0.00 0.00 52.55 55.50 1pnt s ASP 120 Cb 0.17 -2.53 1.99 0.00 -0.30 0.00 0.00 42.92 42.26 1pnt s ASP 120 CO 0.71 -1.33 2.25 1.55 -0.17 0.00 0.00 175.17 178.17 1pnt h PRO 121 N 11.59 0.00 -0.02 4.34 0.13 -1.89 0.85 132.00 147.00 1pnt h PRO 121 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1pnt h PRO 121 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pnt h PRO 121 CO 0.97 0.00 -0.01 1.04 -0.23 0.00 0.00 178.00 179.77 1pnt n GLN 122 N -3.52 1.78 -1.59 0.86 6.02 -1.26 -4.96 117.38 114.70 1pnt n GLN 122 Ca -0.02 -1.16 -0.15 0.00 -0.01 0.00 0.00 57.00 55.67 1pnt n GLN 122 Cb 0.14 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 1pnt n GLN 122 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pnt n LYS 123 N 0.40 -1.05 -2.73 -1.09 4.76 0.30 -4.91 118.16 113.83 1pnt n LYS 123 Ca 0.18 0.96 -0.43 0.00 -2.87 0.00 0.00 58.31 56.15 1pnt n LYS 123 Cb 0.41 -5.11 -0.02 0.00 -1.84 0.00 0.00 35.03 28.47 1pnt n LYS 123 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1pnt s GLN 124 N -3.52 3.74 0.25 1.97 -0.21 -1.26 -4.85 119.66 115.77 1pnt s GLN 124 Ca 0.00 -1.69 -0.03 0.00 0.02 0.00 0.00 55.36 53.66 1pnt s GLN 124 Cb 0.00 -5.21 0.49 0.00 1.00 0.00 0.00 33.01 29.29 1pnt s GLN 124 CO 0.00 -2.02 1.72 -0.07 -2.12 0.00 0.00 175.29 172.79 1pnt h LEU 125 N 11.58 0.23 -9.53 2.90 3.38 -1.91 -3.43 115.31 118.53 1pnt h LEU 125 Ca 0.25 0.12 -0.67 0.00 0.09 0.00 0.00 57.88 57.67 1pnt h LEU 125 Cb 0.97 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1pnt h LEU 125 CO 1.31 0.06 -0.54 -0.51 0.09 0.00 0.00 178.44 178.85 1pnt s ILE 126 N -6.01 4.98 -0.47 1.22 2.07 -1.26 -3.78 121.20 117.94 1pnt s ILE 126 Ca -0.12 -0.09 -0.14 0.00 -1.41 0.00 0.00 60.65 58.89 1pnt s ILE 126 Cb 0.21 -3.18 0.08 0.00 0.13 0.00 0.00 42.46 39.70 1pnt s ILE 126 CO 0.76 0.53 0.38 -0.63 -1.91 0.00 0.00 174.94 174.07 1pnt s ILE 127 N -1.05 4.98 0.41 2.00 1.01 -0.18 -5.04 121.20 123.35 1pnt s ILE 127 Ca 0.17 -1.20 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 1pnt s ILE 127 Cb -0.12 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 1pnt s ILE 127 CO 0.07 -0.60 1.26 -1.61 0.00 0.00 0.00 174.94 174.06 1pnt s GLU 128 N 1.58 3.95 -0.00 2.79 0.41 -1.26 -4.52 118.70 121.64 1pnt s GLU 128 Ca 0.04 2.04 -0.30 0.00 -0.41 0.00 0.00 54.97 56.34 1pnt s GLU 128 Cb -0.25 -2.69 -0.07 0.00 -1.78 0.00 0.00 34.13 29.34 1pnt s GLU 128 CO 0.05 -0.47 1.67 0.34 -0.49 0.00 0.00 175.26 176.36 1pnt s ASP 129 N -0.90 6.63 0.00 -0.19 -1.08 -1.26 -4.89 116.67 114.99 1pnt s ASP 129 Ca 0.58 2.36 0.24 0.00 -0.52 0.00 0.00 52.55 55.21 1pnt s ASP 129 Cb -0.35 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 38.83 1pnt s ASP 129 CO 0.45 -0.91 1.26 -0.81 0.52 0.00 0.00 175.17 175.68 1pnt n PRO 130 N 6.58 1.09 -0.35 4.34 -0.04 -1.26 -4.59 135.00 140.78 1pnt n PRO 130 Ca 0.17 -0.83 0.03 0.00 -0.04 0.00 0.00 63.50 62.83 1pnt n PRO 130 Cb 0.42 -1.48 0.10 0.00 -0.04 0.00 0.00 33.50 32.49 1pnt n PRO 130 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1pnt n TYR 131 N -0.23 0.22 0.47 0.54 9.36 -1.26 0.79 117.16 127.06 1pnt n TYR 131 Ca 0.10 1.15 0.09 0.00 3.32 0.00 0.00 57.90 62.57 1pnt n TYR 131 Cb 0.43 -0.97 0.25 0.00 -0.63 0.00 0.00 39.34 38.42 1pnt n TYR 131 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1pnt n TYR 132 N -5.48 0.59 -1.47 2.98 4.01 -1.26 -4.90 117.16 111.64 1pnt n TYR 132 Ca 0.13 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1pnt n TYR 132 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1pnt n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pnt n GLY 133 N 1.33 0.96 0.03 2.72 0.00 0.24 -5.13 105.19 105.34 1pnt n GLY 133 Ca 0.18 -1.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.29 1pnt n GLY 133 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pnt n ASN 134 N -0.51 1.75 -0.27 1.61 0.23 -1.26 -4.98 115.26 111.83 1pnt n ASN 134 Ca 0.00 -1.02 0.12 0.00 -0.53 0.00 0.00 54.58 53.15 1pnt n ASN 134 Cb 0.00 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.07 1pnt n ASN 134 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1pnt h ASP 135 N 0.01 0.67 0.21 0.53 3.32 -1.97 0.98 116.42 120.17 1pnt h ASP 135 Ca -0.00 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1pnt h ASP 135 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1pnt h ASP 135 CO 0.00 0.34 -0.34 0.00 -1.72 0.00 0.00 179.24 177.53 1pnt h ALA 136 N 1.60 1.25 -0.58 3.45 0.00 -1.99 -2.12 119.26 120.87 1pnt h ALA 136 Ca 0.45 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pnt h ALA 136 Cb 0.70 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1pnt h ALA 136 CO -0.21 0.51 0.21 -0.44 0.00 0.00 0.00 179.25 179.32 1pnt h ASP 137 N 0.17 0.79 -0.55 0.00 3.32 -1.19 0.40 116.42 119.36 1pnt h ASP 137 Ca 0.02 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 1pnt h ASP 137 Cb 0.68 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1pnt h ASP 137 CO 0.05 0.73 -0.01 -0.26 -1.72 0.00 0.00 179.24 178.03 1pnt h PHE 138 N 0.84 1.09 -0.54 4.55 -1.00 -1.19 -0.97 116.94 119.72 1pnt h PHE 138 Ca 0.20 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1pnt h PHE 138 Cb 0.20 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 1pnt h PHE 138 CO 0.01 0.97 0.26 1.49 -1.61 0.00 0.00 178.31 179.43 1pnt h GLU 139 N 0.92 0.78 -0.39 1.51 4.57 -0.85 0.61 114.58 121.73 1pnt h GLU 139 Ca 0.16 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1pnt h GLU 139 Cb 0.54 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1pnt h GLU 139 CO 0.03 0.64 -0.10 1.79 -1.18 0.00 0.00 179.01 180.19 1pnt h THR 140 N 0.73 1.25 -0.86 0.32 1.35 -0.31 -0.68 112.91 114.71 1pnt h THR 140 Ca 0.19 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1pnt h THR 140 Cb 0.12 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.56 1pnt h THR 140 CO -0.02 0.37 0.53 0.58 -0.25 0.00 0.00 175.52 176.73 1pnt h VAL 141 N 0.63 1.23 -0.14 6.82 2.07 -0.07 -0.58 116.25 126.21 1pnt h VAL 141 Ca 0.11 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pnt h VAL 141 Cb 0.54 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1pnt h VAL 141 CO 0.03 0.24 0.08 0.22 0.02 0.00 0.00 177.57 178.16 1pnt h TYR 142 N 1.17 0.19 -0.20 1.57 3.20 0.21 -1.24 116.97 121.87 1pnt h TYR 142 Ca 0.31 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.23 1pnt h TYR 142 Cb -0.07 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1pnt h TYR 142 CO -0.00 0.19 -0.15 1.96 -1.64 0.00 0.00 178.16 178.52 1pnt h GLN 143 N 0.13 -0.15 -0.45 1.82 1.08 -0.82 0.27 115.11 116.98 1pnt h GLN 143 Ca 0.05 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.31 1pnt h GLN 143 Cb 0.07 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 1pnt h GLN 143 CO -0.01 -0.10 0.20 1.96 -0.95 0.00 0.00 178.83 179.93 1pnt h GLN 144 N -0.16 0.38 -0.69 1.46 4.20 -0.86 -1.95 115.11 117.50 1pnt h GLN 144 Ca 0.12 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1pnt h GLN 144 Cb 0.33 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 1pnt h GLN 144 CO -0.29 0.25 0.39 0.00 -0.67 0.00 0.00 178.83 178.51 1pnt h VAL 146 N 0.70 0.53 0.06 0.00 2.07 -0.25 0.50 116.25 119.86 1pnt h VAL 146 Ca 0.32 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.86 1pnt h VAL 146 Cb 0.22 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1pnt h VAL 146 CO -0.20 0.00 -0.25 0.03 0.02 0.00 0.00 177.57 177.17 1pnt h ARG 147 N -0.52 -0.40 -0.93 1.57 3.08 -0.94 -0.17 114.38 116.07 1pnt h ARG 147 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1pnt h ARG 147 Cb 0.45 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1pnt h ARG 147 CO -0.01 -0.27 0.59 0.00 -1.07 0.00 0.00 179.97 179.22 1pnt h ARG 150 N 0.22 0.59 -0.49 0.00 3.08 -0.81 -2.07 114.38 114.89 1pnt h ARG 150 Ca -0.02 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1pnt h ARG 150 Cb 1.22 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 1pnt h ARG 150 CO 0.11 0.76 0.32 0.00 -1.07 0.00 0.00 179.97 180.10 1pnt h ALA 151 N 0.80 0.63 -0.28 0.04 0.00 -1.02 -1.95 119.26 117.49 1pnt h ALA 151 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1pnt h ALA 151 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1pnt h ALA 151 CO 0.03 0.06 0.09 0.35 0.00 0.00 0.00 179.25 179.78 1pnt h PHE 152 N 0.66 0.17 -0.68 0.00 3.57 -1.00 -2.87 116.94 116.79 1pnt h PHE 152 Ca 0.18 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1pnt h PHE 152 Cb -0.07 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1pnt h PHE 152 CO -0.04 0.08 0.25 1.25 -2.23 0.00 0.00 178.31 177.61 1pnt h LEU 153 N 0.22 0.95 -1.23 0.59 5.85 -1.14 -2.51 115.31 118.04 1pnt h LEU 153 Ca 0.12 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1pnt h LEU 153 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1pnt h LEU 153 CO -0.13 0.86 0.00 -0.33 -0.34 0.00 0.00 178.44 178.51 1pnt h GLU 154 N 1.00 0.53 0.00 1.25 4.39 -1.16 0.22 114.58 120.81 1pnt h GLU 154 Ca 0.23 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1pnt h GLU 154 Cb 0.23 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1pnt h GLU 154 CO -0.01 0.55 -0.29 0.36 -1.16 0.00 0.00 179.01 178.46 1pnt n LYS 155 N -4.28 0.24 0.00 2.33 2.85 -1.01 -4.02 118.16 114.27 1pnt n LYS 155 Ca 0.01 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1pnt n LYS 155 Cb 0.24 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 1pnt n LYS 155 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1pnt n VAL 156 N -2.09 0.00 0.00 0.58 0.24 -0.98 -5.12 118.33 110.96 1pnt n VAL 156 Ca 0.05 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1pnt n VAL 156 Cb 0.42 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 1pnt n VAL 156 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55