#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5pnt s GLU 2 N 0.00 1.02 0.03 0.00 2.56 -1.26 -5.19 118.70 115.86 5pnt s GLU 2 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 54.97 54.60 5pnt s GLU 2 Cb 0.00 0.48 0.10 0.00 2.00 0.00 0.00 34.13 36.70 5pnt s GLU 2 CO 0.00 -0.39 1.06 -1.14 -0.56 0.00 0.00 175.26 174.24 5pnt s GLN 3 N -2.30 0.78 0.20 4.30 2.00 -1.26 -5.15 119.66 118.23 5pnt s GLN 3 Ca -0.03 -0.39 -0.30 0.00 -2.00 0.00 0.00 55.36 52.64 5pnt s GLN 3 Cb -0.01 0.29 -0.09 0.00 0.80 0.00 0.00 33.01 34.01 5pnt s GLN 3 CO -0.02 -0.35 1.32 0.00 -0.50 0.00 0.00 175.29 175.74 5pnt s ALA 4 N -2.90 3.53 -0.37 1.58 0.00 -1.26 -4.99 121.76 117.35 5pnt s ALA 4 Ca 0.11 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.99 5pnt s ALA 4 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.64 5pnt s ALA 4 CO -0.03 -0.56 0.64 -0.08 0.00 0.00 0.00 175.76 175.73 5pnt s THR 5 N 0.13 4.88 0.33 0.00 -1.32 -1.26 -4.87 115.64 113.54 5pnt s THR 5 Ca 0.57 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.58 5pnt s THR 5 Cb -0.37 -4.09 -0.03 0.00 -1.51 0.00 0.00 72.50 66.49 5pnt s THR 5 CO 0.38 -0.35 0.54 -0.54 -2.21 0.00 0.00 174.62 172.44 5pnt s LYS 6 N 2.73 3.49 -0.01 7.08 3.01 0.10 -4.92 119.74 131.21 5pnt s LYS 6 Ca 0.24 -0.33 0.02 0.00 -1.01 0.00 0.00 55.97 54.89 5pnt s LYS 6 Cb -0.14 -2.68 -0.00 0.00 -1.01 0.00 0.00 37.83 34.00 5pnt s LYS 6 CO 0.15 0.17 -0.07 -1.54 0.51 0.00 0.00 175.35 174.57 5pnt s SER 7 N -3.95 0.94 -0.04 2.83 1.04 -1.26 -0.55 113.70 112.71 5pnt s SER 7 Ca 0.40 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.71 5pnt s SER 7 Cb -0.10 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.85 5pnt s SER 7 CO 0.35 0.07 -0.10 0.54 0.98 0.00 0.00 173.24 175.08 5pnt s VAL 8 N 0.04 0.90 -0.20 5.02 0.11 0.14 -2.13 120.40 124.28 5pnt s VAL 8 Ca -0.00 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 5pnt s VAL 8 Cb -0.06 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 5pnt s VAL 8 CO -0.00 0.29 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.69 5pnt s LEU 9 N 0.39 2.52 -0.04 2.54 2.96 -0.06 -1.74 118.68 125.24 5pnt s LEU 9 Ca -0.07 -0.71 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 5pnt s LEU 9 Cb -0.11 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 5pnt s LEU 9 CO 0.01 -0.04 0.52 -0.36 -1.32 0.00 0.00 176.35 175.16 5pnt s PHE 10 N 1.31 3.63 0.01 5.38 0.08 -0.40 -1.14 117.98 126.85 5pnt s PHE 10 Ca 0.03 1.05 0.05 0.00 0.12 0.00 0.00 56.93 58.18 5pnt s PHE 10 Cb -0.14 -2.53 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 5pnt s PHE 10 CO -0.10 0.35 -0.15 0.08 -0.10 0.00 0.00 175.22 175.30 5pnt s VAL 11 N -0.08 1.16 0.28 -0.44 1.01 -0.27 -1.10 120.40 120.96 5pnt s VAL 11 Ca 0.28 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.51 5pnt s VAL 11 Cb -0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 5pnt s VAL 11 CO 0.14 0.22 0.32 0.00 0.00 0.00 0.00 175.10 175.79 5pnt h LEU 13 N 0.00 0.34 0.00 0.00 5.85 -1.95 -2.03 115.31 117.51 5pnt h LEU 13 Ca -0.21 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.21 5pnt h LEU 13 Cb 0.96 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.90 5pnt h LEU 13 CO 0.29 0.56 -0.56 0.61 -0.34 0.00 0.00 178.44 179.00 5pnt n GLY 14 N -0.32 0.12 2.65 3.75 0.00 -1.26 -2.66 105.19 107.48 5pnt n GLY 14 Ca -0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 5pnt n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 5pnt n ASN 15 N -1.30 -5.09 0.00 1.61 4.05 -1.26 -4.45 115.26 108.83 5pnt n ASN 15 Ca 0.01 -0.18 0.00 0.00 0.45 0.00 0.00 54.58 54.86 5pnt n ASN 15 Cb 0.14 -3.99 0.00 0.00 1.23 0.00 0.00 39.78 37.17 5pnt n ASN 15 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 5pnt n ILE 16 N -4.20 0.00 -0.07 -1.44 -5.35 -1.26 -4.49 119.36 102.56 5pnt n ILE 16 Ca -0.11 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.30 5pnt n ILE 16 Cb 0.61 -0.72 -0.02 0.00 -1.74 0.00 0.00 39.64 37.76 5pnt n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 5pnt h ARG 18 N -0.79 0.00 -0.40 0.00 3.08 -1.96 -3.37 114.38 110.93 5pnt h ARG 18 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 5pnt h ARG 18 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 5pnt h ARG 18 CO 0.00 0.00 0.19 0.66 -1.07 0.00 0.00 179.97 179.75 5pnt h SER 19 N -0.93 0.50 0.38 7.04 4.64 -1.90 -2.02 113.55 121.25 5pnt h SER 19 Ca 0.00 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 5pnt h SER 19 Cb 0.01 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 5pnt h SER 19 CO 0.00 0.43 -0.32 -0.65 -0.87 0.00 0.00 176.83 175.43 5pnt h PRO 20 N 0.56 0.00 -0.11 4.77 0.11 -1.84 0.00 132.00 135.49 5pnt h PRO 20 Ca 0.14 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 5pnt h PRO 20 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 5pnt h PRO 20 CO -0.02 0.32 -0.28 0.82 -0.21 0.00 0.00 178.00 178.63 5pnt h ILE 21 N 0.00 1.38 -0.48 4.15 2.04 -1.55 -1.55 117.51 121.50 5pnt h ILE 21 Ca -0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 5pnt h ILE 21 Cb 0.59 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 5pnt h ILE 21 CO 0.04 0.46 0.32 0.00 0.00 0.00 0.00 178.15 178.97 5pnt h ALA 22 N 0.51 0.61 -0.10 1.87 0.00 -1.08 -0.14 119.26 120.93 5pnt h ALA 22 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 5pnt h ALA 22 Cb 0.88 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 5pnt h ALA 22 CO 0.06 0.06 0.06 1.49 0.00 0.00 0.00 179.25 180.92 5pnt h GLU 23 N 0.65 0.13 -0.37 0.00 4.81 -1.01 -0.93 114.58 117.85 5pnt h GLU 23 Ca 0.18 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 5pnt h GLU 23 Cb -0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 5pnt h GLU 23 CO -0.04 0.08 -0.00 0.00 -0.73 0.00 0.00 179.01 178.32 5pnt h ALA 24 N 1.04 1.30 -0.35 2.92 0.00 -0.98 0.15 119.26 123.35 5pnt h ALA 24 Ca 0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 5pnt h ALA 24 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 5pnt h ALA 24 CO -0.01 0.47 -0.31 0.28 0.00 0.00 0.00 179.25 179.69 5pnt h VAL 25 N 0.56 1.29 -0.12 0.00 2.07 -0.74 -2.63 116.25 116.67 5pnt h VAL 25 Ca 0.12 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 5pnt h VAL 25 Cb 0.36 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 5pnt h VAL 25 CO 0.01 0.48 -0.03 0.15 0.02 0.00 0.00 177.57 178.20 5pnt h PHE 26 N 0.60 0.27 -0.87 1.57 3.57 -0.88 -2.26 116.94 118.94 5pnt h PHE 26 Ca 0.06 -0.06 0.14 0.00 3.53 0.00 0.00 57.97 61.64 5pnt h PHE 26 Cb 0.88 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 5pnt h PHE 26 CO 0.07 0.54 0.47 -0.09 -2.23 0.00 0.00 178.31 177.07 5pnt h ARG 27 N -0.08 0.66 -0.20 1.11 2.43 -0.99 -1.66 114.38 115.65 5pnt h ARG 27 Ca 0.03 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 5pnt h ARG 27 Cb 0.46 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 5pnt h ARG 27 CO 0.01 0.44 -0.64 -0.22 -1.51 0.00 0.00 179.97 178.06 5pnt h LYS 28 N 0.68 0.72 -0.16 0.20 3.64 -1.35 -2.42 116.57 117.88 5pnt h LYS 28 Ca 0.47 -0.51 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 5pnt h LYS 28 Cb 0.62 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 5pnt h LYS 28 CO -0.34 1.13 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.86 5pnt h LEU 29 N 0.53 -0.16 -0.99 5.20 3.38 -0.72 -0.69 115.31 121.87 5pnt h LEU 29 Ca -0.01 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 5pnt h LEU 29 Cb 1.23 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 5pnt h LEU 29 CO 0.13 -0.06 -0.30 -0.37 0.09 0.00 0.00 178.44 177.93 5pnt h VAL 30 N -0.00 1.27 -0.27 1.22 -1.51 -1.36 -1.34 116.25 114.26 5pnt h VAL 30 Ca 0.08 -1.31 -0.13 0.00 -1.23 0.00 0.00 66.70 64.11 5pnt h VAL 30 Cb 0.12 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 5pnt h VAL 30 CO -0.17 0.40 -0.36 0.74 -1.23 0.00 0.00 177.57 176.95 5pnt h THR 31 N 0.31 1.29 0.00 7.19 2.02 -1.18 -1.33 112.91 121.22 5pnt h THR 31 Ca 0.04 -1.50 -0.12 0.00 0.77 0.00 0.00 66.41 65.60 5pnt h THR 31 Cb 0.69 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 5pnt h THR 31 CO 0.05 0.48 -0.56 0.44 0.37 0.00 0.00 175.52 176.30 5pnt h ASP 32 N 0.50 0.00 0.36 4.18 3.32 -0.78 -3.04 116.42 120.96 5pnt h ASP 32 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 5pnt h ASP 32 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 5pnt h ASP 32 CO 0.07 0.56 -0.13 0.00 -1.72 0.00 0.00 179.24 178.02 5pnt n GLN 33 N -3.64 0.68 -1.27 3.56 1.13 -0.54 -4.94 117.38 112.36 5pnt n GLN 33 Ca -0.01 -0.25 -0.09 0.00 -1.94 0.00 0.00 57.00 54.71 5pnt n GLN 33 Cb 0.62 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.43 5pnt n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 5pnt n ASN 34 N -0.94 -4.04 -0.20 1.08 3.02 -0.94 -4.90 115.26 108.34 5pnt n ASN 34 Ca 0.14 0.21 0.10 0.00 -0.03 0.00 0.00 54.58 55.00 5pnt n ASN 34 Cb 0.29 -2.34 0.16 0.00 -0.61 0.00 0.00 39.78 37.28 5pnt n ASN 34 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 5pnt n ILE 35 N -2.76 1.96 0.16 2.41 -5.35 -0.55 -4.76 119.36 110.46 5pnt n ILE 35 Ca -0.09 -2.21 0.05 0.00 -0.27 0.00 0.00 62.75 60.24 5pnt n ILE 35 Cb 0.29 -0.24 0.52 0.00 -1.74 0.00 0.00 39.64 38.47 5pnt n ILE 35 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 5pnt h SER 36 N 0.29 0.17 0.81 7.28 4.64 -1.78 -1.21 113.55 123.76 5pnt h SER 36 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 5pnt h SER 36 Cb 1.07 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 5pnt h SER 36 CO 0.04 0.19 0.00 -0.33 -0.87 0.00 0.00 176.83 175.85 5pnt h GLU 37 N 0.19 0.00 -0.00 4.77 5.08 -1.90 -2.29 114.58 120.43 5pnt h GLU 37 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 5pnt h GLU 37 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 5pnt h GLU 37 CO -0.00 0.00 -0.27 0.09 -1.00 0.00 0.00 179.01 177.82 5pnt n ASN 38 N -2.59 0.66 -4.22 1.42 5.03 -0.46 -4.90 115.26 110.20 5pnt n ASN 38 Ca 0.01 -0.51 -0.27 0.00 0.87 0.00 0.00 54.58 54.68 5pnt n ASN 38 Cb 0.25 0.07 -0.16 0.00 -1.02 0.00 0.00 39.78 38.93 5pnt n ASN 38 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 5pnt s TRP 39 N -2.68 1.86 -0.28 3.10 0.52 -0.86 0.01 118.94 120.60 5pnt s TRP 39 Ca 0.21 -0.35 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 5pnt s TRP 39 Cb 0.19 -1.19 0.04 0.00 -1.15 0.00 0.00 33.47 31.35 5pnt s TRP 39 CO 0.56 -0.03 -0.01 0.50 0.02 0.00 0.00 176.95 178.00 5pnt s ARG 40 N -0.51 2.68 -0.08 4.98 3.00 0.29 -4.97 118.95 124.34 5pnt s ARG 40 Ca 0.08 -1.10 0.02 0.00 -1.00 0.00 0.00 55.73 53.73 5pnt s ARG 40 Cb -0.08 -3.15 -0.02 0.00 0.00 0.00 0.00 34.95 31.70 5pnt s ARG 40 CO -0.01 -0.52 -0.14 0.08 0.00 0.00 0.00 175.30 174.72 5pnt s VAL 41 N 1.32 3.08 0.29 7.11 1.01 -1.26 -0.68 120.40 131.26 5pnt s VAL 41 Ca -0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 5pnt s VAL 41 Cb -0.18 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 33.97 5pnt s VAL 41 CO -0.02 0.57 0.56 -0.62 0.00 0.00 0.00 175.10 175.60 5pnt s ASP 42 N -0.38 0.05 -0.04 3.32 2.15 -0.71 -5.00 116.67 116.05 5pnt s ASP 42 Ca 0.04 -0.99 -0.13 0.00 0.43 0.00 0.00 52.55 51.91 5pnt s ASP 42 Cb -0.12 0.66 0.02 0.00 -0.30 0.00 0.00 42.92 43.18 5pnt s ASP 42 CO 0.02 -1.28 0.29 -0.94 -0.17 0.00 0.00 175.17 173.10 5pnt s SER 43 N -3.04 -0.21 0.30 -0.34 1.04 -1.26 -1.28 113.70 108.91 5pnt s SER 43 Ca 0.21 0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 5pnt s SER 43 Cb -0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.50 5pnt s SER 43 CO 0.11 -0.34 0.51 0.00 0.98 0.00 0.00 173.24 174.50 5pnt s ALA 44 N -0.88 0.10 0.15 5.32 0.00 -0.26 -4.70 121.76 121.48 5pnt s ALA 44 Ca -0.10 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.82 5pnt s ALA 44 Cb -0.05 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 5pnt s ALA 44 CO 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 175.76 174.92 5pnt s ALA 45 N -3.46 3.16 -0.22 0.00 0.00 0.12 -2.67 121.76 118.68 5pnt s ALA 45 Ca 0.25 -1.31 0.17 0.00 0.00 0.00 0.00 51.96 51.06 5pnt s ALA 45 Cb -0.01 -0.99 0.13 0.00 0.00 0.00 0.00 23.12 22.25 5pnt s ALA 45 CO 0.13 0.54 1.48 1.79 0.00 0.00 0.00 175.76 179.71 5pnt h THR 46 N 2.68 0.66 -1.08 0.00 1.35 -1.34 0.73 112.91 115.91 5pnt h THR 46 Ca -0.47 -1.94 -0.61 0.00 -0.55 0.00 0.00 66.41 62.84 5pnt h THR 46 Cb 1.19 2.33 -0.10 0.00 -1.73 0.00 0.00 68.15 69.84 5pnt h THR 46 CO 0.57 0.38 -0.48 -0.94 -0.25 0.00 0.00 175.52 174.80 5pnt s SER 47 N -6.40 4.31 -0.08 5.36 1.04 -1.09 -4.81 113.70 112.03 5pnt s SER 47 Ca 0.05 -1.31 0.19 0.00 0.48 0.00 0.00 55.95 55.36 5pnt s SER 47 Cb 0.07 -0.03 0.68 0.00 0.10 0.00 0.00 66.02 66.84 5pnt s SER 47 CO 0.73 -0.72 1.58 0.61 0.98 0.00 0.00 173.24 176.42 5pnt n GLY 48 N -1.31 2.73 0.35 7.32 0.00 -1.26 -4.62 105.19 108.40 5pnt n GLY 48 Ca -0.07 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.23 5pnt n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 5pnt h TYR 49 N 3.99 1.08 0.00 1.61 0.05 -1.91 -3.25 116.97 118.53 5pnt h TYR 49 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 5pnt h TYR 49 Cb 1.29 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.69 5pnt h TYR 49 CO 0.66 0.34 -0.20 0.39 -1.05 0.00 0.00 178.16 178.30 5pnt n GLU 50 N -4.70 1.16 -1.66 4.88 -0.58 -1.26 -5.08 120.64 113.40 5pnt n GLU 50 Ca 0.20 -2.54 -0.49 0.00 -0.42 0.00 0.00 57.16 53.91 5pnt n GLU 50 Cb 0.44 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 5pnt n GLU 50 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 5pnt n ILE 51 N -1.14 0.19 -0.33 -3.67 5.41 -1.23 -1.73 119.36 116.85 5pnt n ILE 51 Ca 0.15 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.86 5pnt n ILE 51 Cb 0.68 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 5pnt n ILE 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 5pnt n GLY 52 N 3.59 0.76 3.91 7.39 0.00 -0.22 -4.94 105.19 115.67 5pnt n GLY 52 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 5pnt n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5pnt s ASN 53 N -2.97 6.45 0.78 1.61 0.01 -0.71 -4.66 114.94 115.46 5pnt s ASN 53 Ca 0.00 0.50 -0.12 0.00 -0.71 0.00 0.00 52.86 52.53 5pnt s ASN 53 Cb 0.00 -2.05 0.06 0.00 0.41 0.00 0.00 41.25 39.67 5pnt s ASN 53 CO 0.00 0.06 1.12 -2.16 -1.51 0.00 0.00 177.10 174.61 5pnt s PRO 54 N -2.72 2.23 0.81 -0.60 0.04 -1.26 -0.99 135.00 132.51 5pnt s PRO 54 Ca 0.39 0.44 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 5pnt s PRO 54 Cb -0.12 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.52 5pnt s PRO 54 CO 0.26 -1.47 0.93 -2.30 0.04 0.00 0.00 177.00 174.46 5pnt n PRO 55 N -3.30 0.14 -1.68 0.56 -0.02 -1.26 -4.84 135.00 124.60 5pnt n PRO 55 Ca 0.07 0.11 -0.46 0.00 -2.02 0.00 0.00 63.50 61.20 5pnt n PRO 55 Cb 0.58 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 5pnt n PRO 55 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 5pnt n ASP 56 N -2.31 3.49 -0.15 2.55 -0.08 0.26 -4.80 116.55 115.51 5pnt n ASP 56 Ca 0.12 1.01 0.28 0.00 -1.51 0.00 0.00 54.79 54.69 5pnt n ASP 56 Cb 0.51 -1.43 0.72 0.00 2.34 0.00 0.00 41.12 43.25 5pnt n ASP 56 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 5pnt h TYR 57 N 8.08 0.00 -0.23 -0.67 3.20 -1.90 0.36 116.97 125.81 5pnt h TYR 57 Ca -0.47 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.26 5pnt h TYR 57 Cb 1.25 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 5pnt h TYR 57 CO 0.78 0.00 -0.43 0.00 -1.64 0.00 0.00 178.16 176.87 5pnt h ARG 58 N 0.00 0.56 -0.07 1.82 3.08 -1.98 -1.60 114.38 116.20 5pnt h ARG 58 Ca 0.41 -0.30 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 5pnt h ARG 58 Cb 1.81 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 5pnt h ARG 58 CO -0.00 0.89 -0.56 0.78 -1.07 0.00 0.00 179.97 180.01 5pnt h GLY 59 N 1.06 0.22 1.14 0.04 0.00 -0.66 -2.24 103.07 102.62 5pnt h GLY 59 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 5pnt h GLY 59 CO 0.08 0.23 -0.14 -1.61 0.00 0.00 0.00 176.54 175.10 5pnt h GLN 60 N 0.15 1.00 -0.47 4.80 -0.00 -1.04 -1.62 115.11 117.93 5pnt h GLN 60 Ca -0.00 -0.38 -0.08 0.00 -0.00 0.00 0.00 58.65 58.18 5pnt h GLN 60 Cb 1.03 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.44 5pnt h GLN 60 CO 0.08 1.06 -0.03 0.77 0.00 0.00 0.00 178.83 180.72 5pnt h SER 61 N 0.88 0.84 -0.38 -0.69 0.02 -1.14 -1.80 113.55 111.27 5pnt h SER 61 Ca 0.13 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 5pnt h SER 61 Cb 0.71 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 5pnt h SER 61 CO 0.05 0.96 0.17 0.00 -1.14 0.00 0.00 176.83 176.88 5pnt h MET 63 N 0.36 0.69 -0.08 0.00 2.07 -1.18 -2.01 114.93 114.78 5pnt h MET 63 Ca 0.17 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.63 5pnt h MET 63 Cb 0.10 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.70 5pnt h MET 63 CO -0.14 0.61 -0.18 0.87 1.07 0.00 0.00 176.91 179.14 5pnt h LYS 64 N 0.62 0.12 -0.32 1.72 1.57 -0.97 0.58 116.57 119.89 5pnt h LYS 64 Ca 0.16 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 5pnt h LYS 64 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 5pnt h LYS 64 CO -0.02 0.31 0.09 -0.09 -0.57 0.00 0.00 179.45 179.17 5pnt h ARG 65 N 0.12 0.46 -0.53 3.15 2.43 -0.28 -2.21 114.38 117.53 5pnt h ARG 65 Ca 0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 5pnt h ARG 65 Cb 0.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 5pnt h ARG 65 CO 0.03 0.42 0.00 0.72 -1.51 0.00 0.00 179.97 179.63 5pnt n HIS 66 N -4.37 0.69 -1.21 2.20 8.25 -0.19 -4.96 115.22 115.62 5pnt n HIS 66 Ca 0.02 -0.35 -0.07 0.00 -0.26 0.00 0.00 57.72 57.05 5pnt n HIS 66 Cb 0.17 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 5pnt n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 5pnt n GLY 67 N 1.57 0.89 3.70 -1.41 0.00 0.02 -4.98 105.19 104.97 5pnt n GLY 67 Ca 0.21 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 5pnt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pnt s ILE 68 N -2.06 5.13 0.25 -0.61 -1.09 -0.40 -4.97 121.20 117.44 5pnt s ILE 68 Ca 0.00 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 5pnt s ILE 68 Cb 0.00 -3.87 -0.09 0.00 -1.58 0.00 0.00 42.46 36.92 5pnt s ILE 68 CO 0.00 0.25 1.15 -2.16 -1.23 0.00 0.00 174.94 172.95 5pnt s PRO 69 N 1.08 4.56 -0.11 2.79 0.04 -1.26 -4.27 135.00 137.82 5pnt s PRO 69 Ca 0.27 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 5pnt s PRO 69 Cb -0.16 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.24 5pnt s PRO 69 CO 0.11 0.07 0.23 1.41 0.04 0.00 0.00 177.00 178.86 5pnt s MET 70 N -1.02 0.11 -0.02 4.56 1.75 -1.26 -4.83 119.30 118.60 5pnt s MET 70 Ca 0.48 0.69 0.01 0.00 -1.25 0.00 0.00 55.69 55.61 5pnt s MET 70 Cb -0.33 -0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.24 5pnt s MET 70 CO 0.40 -0.29 -0.02 -1.12 -0.65 0.00 0.00 175.02 173.34 5pnt s SER 71 N 2.38 0.44 -0.21 1.11 0.01 -1.26 -5.03 113.70 111.14 5pnt s SER 71 Ca 0.02 -0.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 5pnt s SER 71 Cb -0.12 -0.17 0.15 0.00 0.21 0.00 0.00 66.02 66.10 5pnt s SER 71 CO -0.08 -0.04 1.16 -2.28 0.41 0.00 0.00 173.24 172.42 5pnt s HIS 72 N 0.57 -0.21 -0.12 2.43 5.04 -1.26 -5.06 115.29 116.67 5pnt s HIS 72 Ca -0.06 0.33 0.01 0.00 -1.54 0.00 0.00 55.06 53.80 5pnt s HIS 72 Cb -0.09 0.48 0.02 0.00 0.04 0.00 0.00 32.58 33.03 5pnt s HIS 72 CO -0.01 -0.21 -0.14 0.08 -2.34 0.00 0.00 174.74 172.12 5pnt s VAL 73 N -1.27 1.47 0.36 0.89 1.01 -1.26 -4.14 120.40 117.45 5pnt s VAL 73 Ca 0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 5pnt s VAL 73 Cb -0.01 -1.37 -0.12 0.00 0.00 0.00 0.00 36.38 34.88 5pnt s VAL 73 CO -0.03 0.44 1.33 0.00 0.00 0.00 0.00 175.10 176.84 5pnt n ALA 74 N 4.49 1.52 -2.64 5.51 0.00 -0.16 -4.81 120.51 124.42 5pnt n ALA 74 Ca -0.18 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 5pnt n ALA 74 Cb 0.51 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 5pnt n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 5pnt s ARG 75 N -1.96 0.68 0.27 0.00 1.70 -1.26 -1.06 118.95 117.32 5pnt s ARG 75 Ca 0.55 -0.83 -0.04 0.00 -0.47 0.00 0.00 55.73 54.95 5pnt s ARG 75 Cb -0.54 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.06 5pnt s ARG 75 CO 0.62 -0.19 0.52 -1.14 -1.08 0.00 0.00 175.30 174.03 5pnt s GLN 76 N -3.06 3.62 0.56 3.89 0.74 -1.26 -0.70 119.66 123.44 5pnt s GLN 76 Ca -0.01 -0.05 -0.19 0.00 0.05 0.00 0.00 55.36 55.16 5pnt s GLN 76 Cb 0.01 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 5pnt s GLN 76 CO -0.07 0.26 1.15 -1.50 -0.55 0.00 0.00 175.29 174.59 5pnt s ILE 77 N -2.02 3.00 0.37 -2.34 2.07 0.25 -4.72 121.20 117.80 5pnt s ILE 77 Ca 0.43 0.61 0.06 0.00 -1.41 0.00 0.00 60.65 60.35 5pnt s ILE 77 Cb -0.11 -3.24 -0.07 0.00 0.13 0.00 0.00 42.46 39.17 5pnt s ILE 77 CO 0.29 -0.14 0.00 0.42 -1.91 0.00 0.00 174.94 173.60 5pnt s THR 78 N -1.74 1.78 0.39 4.00 -4.23 -1.26 -5.02 115.64 109.55 5pnt s THR 78 Ca 0.74 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 5pnt s THR 78 Cb -0.26 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 70.96 5pnt s THR 78 CO 0.29 -0.06 1.99 0.11 -0.54 0.00 0.00 174.62 176.42 5pnt h LYS 79 N 1.94 0.50 -0.66 3.99 1.57 -1.97 -2.29 116.57 119.65 5pnt h LYS 79 Ca -0.42 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 5pnt h LYS 79 Cb 1.24 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 5pnt h LYS 79 CO 0.75 0.41 0.17 1.49 -0.57 0.00 0.00 179.45 181.71 5pnt h GLU 80 N 0.50 1.03 -0.76 3.15 4.81 -1.95 -2.98 114.58 118.38 5pnt h GLU 80 Ca 0.12 -0.23 0.15 0.00 -0.13 0.00 0.00 59.36 59.28 5pnt h GLU 80 Cb 0.10 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 5pnt h GLU 80 CO -0.01 0.91 0.51 -0.44 -0.73 0.00 0.00 179.01 179.24 5pnt h ASP 81 N 0.99 0.39 0.79 1.04 3.32 -1.81 0.79 116.42 121.93 5pnt h ASP 81 Ca 0.21 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 5pnt h ASP 81 Cb 0.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 5pnt h ASP 81 CO -0.00 0.20 -0.19 -0.26 -1.72 0.00 0.00 179.24 177.27 5pnt h PHE 82 N 0.42 0.00 0.05 4.55 0.04 -1.60 -2.62 116.94 117.78 5pnt h PHE 82 Ca 0.37 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.81 5pnt h PHE 82 Cb 0.85 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.96 5pnt h PHE 82 CO -0.00 0.19 -1.91 0.00 -0.60 0.00 0.00 178.31 175.99 5pnt n ALA 83 N -2.23 1.23 0.10 2.45 0.00 0.17 -0.45 120.51 121.79 5pnt n ALA 83 Ca -0.00 -0.74 0.05 0.00 0.00 0.00 0.00 53.44 52.75 5pnt n ALA 83 Cb 0.38 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 5pnt n ALA 83 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 5pnt h THR 84 N 0.03 0.42 -2.94 0.00 1.35 -1.27 -3.41 112.91 107.09 5pnt h THR 84 Ca -0.37 -1.71 -0.62 0.00 -0.55 0.00 0.00 66.41 63.16 5pnt h THR 84 Cb 2.03 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 70.42 5pnt h THR 84 CO 0.07 0.24 -0.44 -0.36 -0.25 0.00 0.00 175.52 174.79 5pnt s PHE 85 N -3.07 3.53 0.01 4.73 0.40 -0.99 -4.91 117.98 117.68 5pnt s PHE 85 Ca 0.01 0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.63 5pnt s PHE 85 Cb 0.08 -1.87 -0.32 0.00 0.51 0.00 0.00 43.02 41.42 5pnt s PHE 85 CO 0.77 0.57 0.91 -0.44 0.70 0.00 0.00 175.22 177.74 5pnt h ASP 86 N 3.35 0.64 -3.85 1.36 3.32 -1.78 -2.91 116.42 116.55 5pnt h ASP 86 Ca -0.47 -0.78 -0.45 0.00 0.02 0.00 0.00 57.03 55.35 5pnt h ASP 86 Cb 1.17 -0.21 -0.31 0.00 0.22 0.00 0.00 39.33 40.21 5pnt h ASP 86 CO 0.72 1.63 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.76 5pnt s TYR 87 N -2.61 1.09 -0.32 4.55 2.02 -0.90 -1.07 117.35 120.11 5pnt s TYR 87 Ca -0.10 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 5pnt s TYR 87 Cb 0.05 -0.76 0.09 0.00 -0.40 0.00 0.00 41.96 40.94 5pnt s TYR 87 CO 0.90 -0.11 0.05 0.42 -1.57 0.00 0.00 175.55 175.24 5pnt s ILE 88 N 0.14 1.74 -0.33 2.71 1.01 -0.56 -0.88 121.20 125.03 5pnt s ILE 88 Ca -0.03 -1.90 -0.11 0.00 0.00 0.00 0.00 60.65 58.61 5pnt s ILE 88 Cb -0.09 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 5pnt s ILE 88 CO 0.01 -0.56 0.20 -0.76 0.00 0.00 0.00 174.94 173.83 5pnt s LEU 89 N 1.19 4.37 0.42 2.97 1.43 -0.29 -1.28 118.68 127.49 5pnt s LEU 89 Ca 0.08 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.75 5pnt s LEU 89 Cb -0.18 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 5pnt s LEU 89 CO -0.13 -0.23 0.50 0.00 0.23 0.00 0.00 176.35 176.71 5pnt h MET 91 N 0.79 0.26 -4.86 0.00 0.00 -1.80 0.34 114.93 109.67 5pnt h MET 91 Ca -0.41 -0.45 -0.43 0.00 0.00 0.00 0.00 59.70 58.41 5pnt h MET 91 Cb 1.27 0.17 -0.14 0.00 0.00 0.00 0.00 31.60 32.91 5pnt h MET 91 CO 0.50 1.22 -0.52 0.16 0.00 0.00 0.00 176.91 178.26 5pnt s ASP 92 N -7.08 1.48 0.56 1.22 1.47 -1.26 -1.67 116.67 111.38 5pnt s ASP 92 Ca -0.21 -1.67 0.33 0.00 1.18 0.00 0.00 52.55 52.17 5pnt s ASP 92 Cb 0.06 0.51 1.59 0.00 -0.34 0.00 0.00 42.92 44.74 5pnt s ASP 92 CO 0.77 -1.00 2.09 -0.33 0.68 0.00 0.00 175.17 177.37 5pnt h GLU 93 N 2.20 0.00 -0.17 2.11 5.08 -1.96 -1.66 114.58 120.18 5pnt h GLU 93 Ca -0.28 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.88 5pnt h GLU 93 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 5pnt h GLU 93 CO 0.42 0.06 -0.65 0.77 -1.00 0.00 0.00 179.01 178.61 5pnt h SER 94 N 0.00 0.87 -0.40 1.42 0.02 -2.00 -2.14 113.55 111.33 5pnt h SER 94 Ca -0.00 -0.61 -0.00 0.00 -0.84 0.00 0.00 61.79 60.34 5pnt h SER 94 Cb 0.36 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 5pnt h SER 94 CO 0.01 1.33 0.24 0.78 -1.14 0.00 0.00 176.83 178.05 5pnt h ASN 95 N 0.46 0.48 -0.14 3.07 -0.26 -1.74 -2.50 115.58 114.95 5pnt h ASN 95 Ca -0.03 -0.05 0.03 0.00 -0.56 0.00 0.00 56.30 55.68 5pnt h ASN 95 Cb 1.28 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 38.39 5pnt h ASN 95 CO 0.14 0.39 -0.02 0.25 -1.06 0.00 0.00 177.43 177.13 5pnt h LEU 96 N 0.52 -0.09 -0.89 1.61 5.85 -1.32 0.24 115.31 121.22 5pnt h LEU 96 Ca 0.14 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.93 5pnt h LEU 96 Cb 0.00 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 5pnt h LEU 96 CO -0.03 -0.03 0.58 0.03 -0.34 0.00 0.00 178.44 178.65 5pnt h ARG 97 N 0.02 1.08 -0.10 1.25 3.08 -1.27 -0.52 114.38 117.92 5pnt h ARG 97 Ca 0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 5pnt h ARG 97 Cb 0.09 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 5pnt h ARG 97 CO -0.13 0.72 0.00 0.22 -1.07 0.00 0.00 179.97 179.71 5pnt h ASP 98 N 1.12 0.18 -0.45 7.04 1.82 -1.07 -0.91 116.42 124.15 5pnt h ASP 98 Ca 0.36 -0.31 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 5pnt h ASP 98 Cb 0.01 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 5pnt h ASP 98 CO -0.12 0.44 0.29 -0.07 -1.61 0.00 0.00 179.24 178.17 5pnt h LEU 99 N -0.09 0.50 -0.77 2.28 3.38 -0.62 -0.62 115.31 119.38 5pnt h LEU 99 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 5pnt h LEU 99 Cb 0.35 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 5pnt h LEU 99 CO 0.01 0.36 0.31 0.78 0.09 0.00 0.00 178.44 179.99 5pnt h ASN 100 N 0.60 1.06 -0.16 -0.43 2.35 -1.08 0.28 115.58 118.19 5pnt h ASN 100 Ca 0.17 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 5pnt h ASN 100 Cb -0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 5pnt h ASN 100 CO -0.05 0.94 0.10 -0.09 -1.65 0.00 0.00 177.43 176.68 5pnt h ARG 101 N 1.11 0.22 -0.66 0.81 2.43 -0.72 -2.00 114.38 115.58 5pnt h ARG 101 Ca 0.26 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 5pnt h ARG 101 Cb 0.20 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 5pnt h ARG 101 CO -0.02 0.20 0.20 0.87 -1.51 0.00 0.00 179.97 179.70 5pnt h LYS 102 N 0.18 1.03 0.00 0.20 1.57 -0.73 -2.67 116.57 116.15 5pnt h LYS 102 Ca 0.06 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 5pnt h LYS 102 Cb 0.04 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 5pnt h LYS 102 CO -0.01 0.90 -0.14 0.66 -0.57 0.00 0.00 179.45 180.30 5pnt h SER 103 N 0.96 0.00 0.83 0.86 4.64 -0.32 -1.78 113.55 118.74 5pnt h SER 103 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 5pnt h SER 103 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 5pnt h SER 103 CO -0.00 0.14 0.00 0.59 -0.87 0.00 0.00 176.83 176.68 5pnt n ASN 104 N -4.22 0.30 -1.27 4.97 3.02 -0.76 -2.43 115.26 114.87 5pnt n ASN 104 Ca -0.02 0.55 0.09 0.00 -0.03 0.00 0.00 54.58 55.17 5pnt n ASN 104 Cb 0.21 -0.62 0.30 0.00 -0.61 0.00 0.00 39.78 39.06 5pnt n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5pnt n GLN 105 N -1.80 3.25 -4.44 3.52 6.02 -0.67 -4.94 117.38 118.31 5pnt n GLN 105 Ca 0.04 -2.66 -0.34 0.00 -0.01 0.00 0.00 57.00 54.03 5pnt n GLN 105 Cb 0.27 -1.68 -0.10 0.00 1.02 0.00 0.00 30.24 29.75 5pnt n GLN 105 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 5pnt s VAL 106 N -1.56 4.11 -0.03 5.09 1.01 -1.02 -5.03 120.40 122.98 5pnt s VAL 106 Ca 0.44 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 5pnt s VAL 106 Cb 0.27 -2.72 -0.21 0.00 0.00 0.00 0.00 36.38 33.72 5pnt s VAL 106 CO 0.23 0.59 1.22 0.11 0.00 0.00 0.00 175.10 177.25 5pnt h LYS 107 N 5.12 0.03 -4.70 2.72 1.57 -1.92 -3.42 116.57 115.96 5pnt h LYS 107 Ca -0.50 -0.02 -0.69 0.00 -1.87 0.00 0.00 60.65 57.57 5pnt h LYS 107 Cb 1.18 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.20 5pnt h LYS 107 CO 0.54 0.56 -0.63 0.99 -0.57 0.00 0.00 179.45 180.34 5pnt s THR 108 N -4.05 3.60 -0.42 -0.16 2.01 -1.26 -5.04 115.64 110.31 5pnt s THR 108 Ca -0.16 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 60.67 5pnt s THR 108 Cb 0.01 -3.04 0.11 0.00 0.01 0.00 0.00 72.50 69.60 5pnt s THR 108 CO 0.68 -0.16 0.17 0.00 -0.69 0.00 0.00 174.62 174.63 5pnt h LYS 110 N 7.45 0.00 -7.00 0.00 3.64 -0.99 -3.48 116.57 116.20 5pnt h LYS 110 Ca -0.07 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.81 5pnt h LYS 110 Cb 1.00 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 32.87 5pnt h LYS 110 CO 0.62 0.51 0.47 0.00 -2.27 0.00 0.00 179.45 178.78 5pnt s ALA 111 N -2.80 2.98 -0.39 5.00 0.00 -1.02 -4.80 121.76 120.73 5pnt s ALA 111 Ca -0.02 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 5pnt s ALA 111 Cb 0.09 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.85 5pnt s ALA 111 CO 0.81 -0.58 0.39 0.21 0.00 0.00 0.00 175.76 176.59 5pnt s LYS 112 N -2.69 3.23 -0.33 0.00 2.20 -0.23 -4.91 119.74 117.01 5pnt s LYS 112 Ca 0.63 -0.68 -0.22 0.00 -0.36 0.00 0.00 55.97 55.33 5pnt s LYS 112 Cb -0.27 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 5pnt s LYS 112 CO 0.33 -0.73 0.74 0.42 -0.36 0.00 0.00 175.35 175.75 5pnt s ILE 113 N 2.03 4.82 0.22 5.43 1.01 -1.26 -1.49 121.20 131.96 5pnt s ILE 113 Ca 0.11 0.98 -0.04 0.00 0.00 0.00 0.00 60.65 61.70 5pnt s ILE 113 Cb -0.17 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 5pnt s ILE 113 CO 0.12 -0.28 0.24 -1.61 0.00 0.00 0.00 174.94 173.42 5pnt s GLU 114 N 2.90 1.33 -0.04 2.79 2.02 -0.40 -5.00 118.70 122.30 5pnt s GLU 114 Ca 0.30 -1.53 -0.25 0.00 0.02 0.00 0.00 54.97 53.50 5pnt s GLU 114 Cb -0.14 0.33 -0.04 0.00 0.10 0.00 0.00 34.13 34.39 5pnt s GLU 114 CO 0.14 -0.48 0.77 -0.51 0.02 0.00 0.00 175.26 175.19 5pnt s LEU 115 N -3.13 4.35 0.26 1.80 1.43 -1.26 -0.38 118.68 121.75 5pnt s LEU 115 Ca 0.34 1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 54.72 5pnt s LEU 115 Cb 0.04 -3.20 0.32 0.00 0.03 0.00 0.00 46.19 43.38 5pnt s LEU 115 CO 0.12 -0.13 1.92 0.25 0.23 0.00 0.00 176.35 178.74 5pnt h LEU 116 N 6.62 1.11 0.00 1.79 5.85 -0.58 -2.05 115.31 128.05 5pnt h LEU 116 Ca -0.41 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 5pnt h LEU 116 Cb 1.20 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.97 5pnt h LEU 116 CO 0.75 0.77 0.00 0.61 -0.34 0.00 0.00 178.44 180.23 5pnt n GLY 117 N -1.38 -0.74 0.11 3.75 0.00 -1.25 -1.82 105.19 103.86 5pnt n GLY 117 Ca 0.13 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 5pnt n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5pnt n SER 118 N -1.48 0.62 -0.48 1.61 3.41 -0.77 -2.39 113.62 114.14 5pnt n SER 118 Ca 0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 5pnt n SER 118 Cb 0.08 -0.78 0.22 0.00 -0.26 0.00 0.00 64.21 63.48 5pnt n SER 118 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 5pnt n TYR 119 N -2.17 0.00 -2.28 7.33 4.02 -0.76 -4.94 117.16 118.36 5pnt n TYR 119 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 5pnt n TYR 119 Cb 0.25 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 5pnt n TYR 119 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 5pnt s ASP 120 N -2.34 6.89 0.55 7.72 2.15 -1.01 -4.70 116.67 125.94 5pnt s ASP 120 Ca 0.25 2.01 0.26 0.00 0.43 0.00 0.00 52.55 55.50 5pnt s ASP 120 Cb 0.19 -2.55 1.60 0.00 -0.30 0.00 0.00 42.92 41.86 5pnt s ASP 120 CO 0.48 -0.71 2.18 -0.65 -0.17 0.00 0.00 175.17 176.30 5pnt h PRO 121 N 7.95 0.00 -0.01 4.34 0.11 -1.91 -1.74 132.00 140.74 5pnt h PRO 121 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 5pnt h PRO 121 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 5pnt h PRO 121 CO 0.91 0.04 -0.27 1.04 -0.21 0.00 0.00 178.00 179.51 5pnt n GLN 122 N -3.96 0.76 -2.23 1.05 6.02 -1.26 -4.98 117.38 112.77 5pnt n GLN 122 Ca -0.03 -0.44 -0.12 0.00 -0.01 0.00 0.00 57.00 56.40 5pnt n GLN 122 Cb 0.12 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 5pnt n GLN 122 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 5pnt n LYS 123 N -0.74 -0.99 -2.47 -1.09 4.76 -0.66 -4.92 118.16 112.05 5pnt n LYS 123 Ca 0.12 0.60 -0.43 0.00 -2.87 0.00 0.00 58.31 55.73 5pnt n LYS 123 Cb 0.34 -4.79 0.00 0.00 -1.84 0.00 0.00 35.03 28.75 5pnt n LYS 123 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 5pnt n GLN 124 N -2.19 3.31 -0.34 1.97 6.02 -1.26 -4.83 117.38 120.06 5pnt n GLN 124 Ca -0.15 -3.41 0.22 0.00 -0.01 0.00 0.00 57.00 53.65 5pnt n GLN 124 Cb 0.61 -3.15 0.46 0.00 1.02 0.00 0.00 30.24 29.18 5pnt n GLN 124 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 5pnt h LEU 125 N 9.86 0.54 -9.00 1.08 7.12 -1.92 -3.42 115.31 119.56 5pnt h LEU 125 Ca 0.41 0.12 -0.66 0.00 0.13 0.00 0.00 57.88 57.88 5pnt h LEU 125 Cb 0.76 0.04 -0.20 0.00 -0.53 0.00 0.00 40.66 40.73 5pnt h LEU 125 CO 1.52 0.05 -0.68 -0.63 -0.13 0.00 0.00 178.44 178.57 5pnt s ILE 126 N -5.62 3.82 -0.63 4.05 -1.09 -1.26 -3.91 121.20 116.56 5pnt s ILE 126 Ca -0.10 -0.41 -0.10 0.00 -2.23 0.00 0.00 60.65 57.81 5pnt s ILE 126 Cb 0.27 -2.61 0.16 0.00 -1.58 0.00 0.00 42.46 38.70 5pnt s ILE 126 CO 0.80 0.56 0.52 -0.63 -1.23 0.00 0.00 174.94 174.95 5pnt s ILE 127 N -0.31 4.63 0.33 2.92 1.01 -0.67 -5.04 121.20 124.07 5pnt s ILE 127 Ca 0.05 -2.27 -0.28 0.00 0.00 0.00 0.00 60.65 58.14 5pnt s ILE 127 Cb -0.13 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 5pnt s ILE 127 CO 0.02 -0.89 1.20 -1.61 0.00 0.00 0.00 174.94 173.66 5pnt s GLU 128 N 0.64 4.37 -0.11 2.79 2.02 -1.26 -4.43 118.70 122.72 5pnt s GLU 128 Ca 0.12 1.98 -0.34 0.00 0.02 0.00 0.00 54.97 56.74 5pnt s GLU 128 Cb -0.20 -3.00 -0.12 0.00 0.10 0.00 0.00 34.13 30.91 5pnt s GLU 128 CO -0.04 -0.09 1.90 -3.47 0.02 0.00 0.00 175.26 173.58 5pnt n ASP 129 N 0.73 3.40 -0.84 -0.19 -0.08 -1.26 -4.89 116.55 113.41 5pnt n ASP 129 Ca 0.01 0.94 0.11 0.00 -1.51 0.00 0.00 54.79 54.34 5pnt n ASP 129 Cb 0.44 -1.37 0.29 0.00 2.34 0.00 0.00 41.12 42.82 5pnt n ASP 129 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 5pnt n PRO 130 N 6.74 2.10 -0.05 -0.67 -0.04 -1.26 -4.62 135.00 137.20 5pnt n PRO 130 Ca 0.23 -1.66 -0.08 0.00 -0.04 0.00 0.00 63.50 61.96 5pnt n PRO 130 Cb 0.29 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 5pnt n PRO 130 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 5pnt h TYR 131 N 3.32 -0.60 -0.21 0.54 3.20 -1.96 -1.46 116.97 119.81 5pnt h TYR 131 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 5pnt h TYR 131 Cb 0.73 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.30 5pnt h TYR 131 CO 0.17 -0.30 0.00 0.66 -1.64 0.00 0.00 178.16 177.04 5pnt n TYR 132 N -5.37 0.28 -0.88 -3.82 4.01 -1.26 -4.81 117.16 105.31 5pnt n TYR 132 Ca -0.01 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 5pnt n TYR 132 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 5pnt n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5pnt n GLY 133 N 0.86 2.39 0.00 2.72 0.00 -0.55 -5.16 105.19 105.45 5pnt n GLY 133 Ca 0.08 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.25 5pnt n GLY 133 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5pnt n ASN 134 N 0.00 0.00 -0.32 1.61 0.23 -1.26 -5.02 115.26 110.50 5pnt n ASN 134 Ca 0.00 -0.40 0.17 0.00 -0.53 0.00 0.00 54.58 53.82 5pnt n ASN 134 Cb 0.00 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.11 5pnt n ASN 134 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 5pnt h ASP 135 N 0.00 0.62 0.24 0.53 5.19 -1.96 -0.91 116.42 120.13 5pnt h ASP 135 Ca 0.00 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 5pnt h ASP 135 Cb 0.00 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 5pnt h ASP 135 CO 0.00 0.20 -0.30 0.28 -3.12 0.00 0.00 179.24 176.30 5pnt h SER 136 N 0.59 0.09 -0.05 6.45 0.02 -1.99 -1.61 113.55 117.04 5pnt h SER 136 Ca 0.56 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.35 5pnt h SER 136 Cb 1.12 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 5pnt h SER 136 CO -0.32 0.39 -0.41 0.44 -1.14 0.00 0.00 176.83 175.79 5pnt h ASP 137 N 0.08 0.61 -0.02 3.07 3.32 -1.54 -1.63 116.42 120.31 5pnt h ASP 137 Ca 0.01 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 56.62 5pnt h ASP 137 Cb 0.57 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 5pnt h ASP 137 CO 0.04 0.94 -0.56 -0.26 -1.72 0.00 0.00 179.24 177.69 5pnt h PHE 138 N 0.47 0.76 -0.29 4.55 -1.00 -1.23 -1.86 116.94 118.35 5pnt h PHE 138 Ca 0.04 -0.27 -0.07 0.00 2.81 0.00 0.00 57.97 60.48 5pnt h PHE 138 Cb 0.91 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 5pnt h PHE 138 CO 0.04 1.03 -0.12 1.49 -1.61 0.00 0.00 178.31 179.14 5pnt h GLU 139 N 0.46 0.49 -0.34 1.51 4.57 -1.17 -1.18 114.58 118.93 5pnt h GLU 139 Ca 0.01 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 5pnt h GLU 139 Cb 1.12 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 5pnt h GLU 139 CO 0.11 0.61 -0.22 1.15 -1.18 0.00 0.00 179.01 179.48 5pnt h THR 140 N 0.46 1.29 -0.71 0.32 2.02 -0.99 -1.34 112.91 113.95 5pnt h THR 140 Ca 0.09 -1.35 0.02 0.00 0.77 0.00 0.00 66.41 65.93 5pnt h THR 140 Cb 0.48 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 5pnt h THR 140 CO 0.03 0.44 0.46 0.58 0.37 0.00 0.00 175.52 177.40 5pnt h VAL 141 N 0.52 1.13 0.34 3.16 2.07 -0.85 -0.51 116.25 122.11 5pnt h VAL 141 Ca 0.07 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 5pnt h VAL 141 Cb 0.77 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 5pnt h VAL 141 CO 0.06 0.17 -0.20 0.22 0.02 0.00 0.00 177.57 177.84 5pnt h TYR 142 N 0.91 -0.51 -0.74 1.57 3.20 -1.07 -0.58 116.97 119.75 5pnt h TYR 142 Ca 0.28 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.19 5pnt h TYR 142 Cb -0.03 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 5pnt h TYR 142 CO -0.03 -0.31 0.44 1.96 -1.64 0.00 0.00 178.16 178.58 5pnt h GLN 143 N -0.51 0.80 -0.34 1.82 1.08 -0.99 -0.77 115.11 116.21 5pnt h GLN 143 Ca -0.04 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 5pnt h GLN 143 Cb 0.41 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 5pnt h GLN 143 CO 0.05 0.53 0.19 1.96 -0.95 0.00 0.00 178.83 180.61 5pnt h GLN 144 N 0.82 0.47 -0.59 1.46 4.20 -0.89 -2.58 115.11 118.00 5pnt h GLN 144 Ca 0.32 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 5pnt h GLN 144 Cb 0.14 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 5pnt h GLN 144 CO -0.16 0.39 0.22 0.00 -0.67 0.00 0.00 178.83 178.61 5pnt h VAL 146 N 0.85 1.27 0.01 0.00 2.07 -1.04 -0.41 116.25 119.00 5pnt h VAL 146 Ca 0.20 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 5pnt h VAL 146 Cb 0.19 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 5pnt h VAL 146 CO -0.02 0.45 -0.00 0.03 0.02 0.00 0.00 177.57 178.05 5pnt h ARG 147 N 0.89 -0.01 -0.43 1.57 3.08 -1.12 -2.39 114.38 115.98 5pnt h ARG 147 Ca 0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 5pnt h ARG 147 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 5pnt h ARG 147 CO 0.05 0.29 -0.06 0.00 -1.07 0.00 0.00 179.97 179.19 5pnt h ARG 150 N 0.94 0.23 -0.45 0.00 3.08 -1.42 -1.56 114.38 115.20 5pnt h ARG 150 Ca 0.20 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 5pnt h ARG 150 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 5pnt h ARG 150 CO 0.00 0.20 -0.07 0.00 -1.07 0.00 0.00 179.97 179.03 5pnt h ALA 151 N 1.01 1.04 -0.71 0.04 0.00 -1.34 -2.66 119.26 116.64 5pnt h ALA 151 Ca 0.06 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 5pnt h ALA 151 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 5pnt h ALA 151 CO -0.01 0.59 0.19 0.35 0.00 0.00 0.00 179.25 180.37 5pnt h PHE 152 N 0.71 1.18 -0.84 0.00 3.57 -0.55 -2.79 116.94 118.22 5pnt h PHE 152 Ca 0.13 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 5pnt h PHE 152 Cb 0.53 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 5pnt h PHE 152 CO 0.03 0.95 0.41 1.25 -2.23 0.00 0.00 178.31 178.71 5pnt h LEU 153 N 1.07 1.10 -2.13 0.59 5.85 -1.02 -0.18 115.31 120.58 5pnt h LEU 153 Ca 0.23 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 5pnt h LEU 153 Cb 0.35 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 5pnt h LEU 153 CO -0.00 0.92 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.66 5pnt h GLU 154 N 1.20 0.00 -0.20 1.25 5.08 -1.20 -2.93 114.58 117.78 5pnt h GLU 154 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 5pnt h GLU 154 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 5pnt h GLU 154 CO -0.04 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.63 5pnt n LYS 155 N -4.21 2.54 -1.68 2.33 5.02 -0.92 -5.10 118.16 116.14 5pnt n LYS 155 Ca -0.03 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 54.19 5pnt n LYS 155 Cb 0.11 -1.17 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 5pnt n LYS 155 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 5pnt s ALA 156 N -0.95 2.34 0.00 7.82 0.00 -0.12 -5.08 121.76 125.76 5pnt s ALA 156 Ca 0.14 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.88 5pnt s ALA 156 Cb 0.08 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.79 5pnt s ALA 156 CO 0.10 -1.50 0.05 1.58 0.00 0.00 0.00 175.76 175.99