#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nba s PHE 8 N 0.00 2.69 0.50 -1.42 0.08 -1.26 -4.85 117.98 113.72 1nba s PHE 8 Ca 0.00 1.41 0.18 0.00 0.12 0.00 0.00 56.93 58.64 1nba s PHE 8 Cb 0.00 -3.66 1.28 0.00 -0.57 0.00 0.00 43.02 40.07 1nba s PHE 8 CO 0.00 -2.22 2.12 -0.91 -0.10 0.00 0.00 175.22 174.11 1nba h ASN 9 N 2.27 0.00 -0.19 1.36 4.21 -2.05 -0.89 115.58 120.29 1nba h ASN 9 Ca -0.50 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 56.96 1nba h ASN 9 Cb 1.26 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.44 1nba h ASN 9 CO 0.61 0.06 -0.03 -2.24 -1.29 0.00 0.00 177.43 174.53 1nba h ASP 10 N 0.00 0.45 -0.03 5.81 2.03 -1.99 0.04 116.42 122.73 1nba h ASP 10 Ca -0.00 -0.09 -0.02 0.00 -0.73 0.00 0.00 57.03 56.19 1nba h ASP 10 Cb 0.11 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1nba h ASP 10 CO 0.01 0.55 -0.04 0.40 -1.03 0.00 0.00 179.24 179.12 1nba h ILE 11 N 0.46 1.40 -0.52 4.15 2.04 -1.55 -0.70 117.51 122.79 1nba h ILE 11 Ca 0.10 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.78 1nba h ILE 11 Cb 0.36 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 1nba h ILE 11 CO 0.01 0.34 0.19 -0.33 0.00 0.00 0.00 178.15 178.36 1nba h GLU 12 N -0.39 0.35 0.33 2.37 4.39 -1.16 0.93 114.58 121.41 1nba h GLU 12 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1nba h GLU 12 Cb 0.57 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1nba h GLU 12 CO 0.01 0.23 -0.16 0.00 -1.16 0.00 0.00 179.01 177.93 1nba h ALA 13 N 1.35 -0.45 -0.44 3.43 0.00 -0.97 -1.58 119.26 120.60 1nba h ALA 13 Ca 0.25 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nba h ALA 13 Cb 0.27 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nba h ALA 13 CO -0.25 -0.65 0.02 0.00 0.00 0.00 0.00 179.25 178.36 1nba h ARG 14 N -0.64 0.70 -0.21 0.00 3.08 -1.01 -2.77 114.38 113.52 1nba h ARG 14 Ca -0.05 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1nba h ARG 14 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1nba h ARG 14 CO 0.08 0.70 0.11 1.25 -1.07 0.00 0.00 179.97 181.04 1nba h LEU 15 N 0.66 0.26 -0.92 3.04 5.85 -0.74 -0.99 115.31 122.47 1nba h LEU 15 Ca 0.14 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1nba h LEU 15 Cb 0.38 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1nba h LEU 15 CO 0.01 0.27 0.58 0.00 -0.34 0.00 0.00 178.44 178.96 1nba h ALA 16 N 1.00 1.27 0.19 1.25 0.00 -1.08 -0.34 119.26 121.56 1nba h ALA 16 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nba h ALA 16 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1nba h ALA 16 CO -0.01 0.33 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 1nba h ALA 17 N 1.43 -0.26 -0.19 0.00 0.00 -1.21 -0.93 119.26 118.11 1nba h ALA 17 Ca 0.40 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1nba h ALA 17 Cb 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nba h ALA 17 CO -0.18 -0.51 -0.29 -0.39 0.00 0.00 0.00 179.25 177.87 1nba h VAL 18 N -0.52 1.27 -0.46 0.00 -1.51 -0.97 -2.05 116.25 112.01 1nba h VAL 18 Ca -0.03 -1.30 -0.10 0.00 -1.23 0.00 0.00 66.70 64.05 1nba h VAL 18 Cb 0.39 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1nba h VAL 18 CO 0.04 0.40 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.60 1nba h LEU 19 N 0.32 0.83 -0.88 4.19 3.38 -0.99 -0.28 115.31 121.88 1nba h LEU 19 Ca 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1nba h LEU 19 Cb 0.68 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1nba h LEU 19 CO 0.05 0.96 0.48 -0.33 0.09 0.00 0.00 178.44 179.69 1nba h GLU 20 N 0.76 1.22 -0.16 1.13 4.39 -0.72 0.17 114.58 121.37 1nba h GLU 20 Ca 0.13 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1nba h GLU 20 Cb 0.61 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1nba h GLU 20 CO 0.04 0.89 0.10 0.93 -1.16 0.00 0.00 179.01 179.82 1nba h GLU 21 N 1.23 0.22 -0.73 2.33 5.08 -0.65 -1.04 114.58 121.01 1nba h GLU 21 Ca 0.31 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1nba h GLU 21 Cb 0.03 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1nba h GLU 21 CO -0.05 0.17 0.40 0.00 -1.00 0.00 0.00 179.01 178.53 1nba h ALA 22 N 1.04 1.34 -0.29 3.43 0.00 -0.58 -2.03 119.26 122.16 1nba h ALA 22 Ca 0.06 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1nba h ALA 22 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1nba h ALA 22 CO -0.01 0.54 -0.50 0.74 0.00 0.00 0.00 179.25 180.02 1nba h PHE 23 N 1.01 1.00 0.24 0.00 0.04 -0.38 -0.49 116.94 118.37 1nba h PHE 23 Ca 0.26 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1nba h PHE 23 Cb 0.02 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 1nba h PHE 23 CO 0.01 1.14 -0.24 0.93 -0.60 0.00 0.00 178.31 179.55 1nba h GLU 24 N 0.64 -0.49 0.32 1.51 3.07 -0.87 -0.46 114.58 118.28 1nba h GLU 24 Ca 0.03 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1nba h GLU 24 Cb 1.08 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 1nba h GLU 24 CO 0.11 -0.33 -0.32 0.00 -1.40 0.00 0.00 179.01 177.07 1nba h ALA 25 N 0.16 -0.68 -0.72 3.43 0.00 -1.36 -2.26 119.26 117.83 1nba h ALA 25 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1nba h ALA 25 Cb 0.48 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1nba h ALA 25 CO -0.05 -0.92 0.38 0.78 0.00 0.00 0.00 179.25 179.44 1nba h GLY 26 N -0.67 1.08 1.19 0.00 0.00 -1.10 -1.60 103.07 101.98 1nba h GLY 26 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1nba h GLY 26 CO -0.07 0.09 0.46 -0.84 0.00 0.00 0.00 176.54 176.19 1nba h THR 27 N 0.65 1.22 -0.13 4.70 2.02 -0.85 0.44 112.91 120.96 1nba h THR 27 Ca 0.35 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1nba h THR 27 Cb 0.33 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1nba h THR 27 CO -0.25 0.23 0.01 0.28 0.37 0.00 0.00 175.52 176.17 1nba h SER 28 N 1.08 0.22 0.21 4.18 0.02 -0.72 -0.37 113.55 118.17 1nba h SER 28 Ca 0.28 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nba h SER 28 Cb -0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1nba h SER 28 CO -0.05 0.45 -0.17 0.40 -1.14 0.00 0.00 176.83 176.32 1nba h ILE 29 N -0.02 0.64 -0.40 3.27 2.04 -0.82 -0.61 117.51 121.61 1nba h ILE 29 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 1nba h ILE 29 Cb 0.33 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1nba h ILE 29 CO 0.00 0.00 -0.12 1.88 0.00 0.00 0.00 178.15 179.91 1nba h TYR 30 N -0.38 -0.27 -0.69 1.37 0.05 -0.89 -0.94 116.97 115.21 1nba h TYR 30 Ca -0.01 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1nba h TYR 30 Cb 0.34 0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1nba h TYR 30 CO -0.12 -0.20 0.36 -0.91 -1.05 0.00 0.00 178.16 176.24 1nba h ASN 31 N -0.03 0.88 -0.99 3.88 2.35 -0.79 0.86 115.58 121.74 1nba h ASN 31 Ca 0.20 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1nba h ASN 31 Cb 0.33 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 1nba h ASN 31 CO -0.43 0.74 0.65 -0.33 -1.65 0.00 0.00 177.43 176.41 1nba h GLU 32 N 0.95 1.22 0.00 0.81 5.08 -0.26 -2.32 114.58 120.07 1nba h GLU 32 Ca 0.24 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nba h GLU 32 Cb 0.07 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1nba h GLU 32 CO -0.04 0.80 -0.27 0.00 -1.00 0.00 0.00 179.01 178.51 1nba h ARG 33 N 1.25 0.00 0.00 2.33 3.08 -0.63 -3.48 114.38 116.93 1nba h ARG 33 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1nba h ARG 33 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nba h ARG 33 CO -0.13 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.18 1nba n GLY 34 N 1.26 1.17 3.16 0.04 0.00 0.09 -5.00 105.19 105.92 1nba n GLY 34 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1nba n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nba n PHE 35 N -1.48 -3.32 -2.43 1.61 3.01 -0.01 -4.56 117.46 110.29 1nba n PHE 35 Ca 0.00 -1.29 -0.19 0.00 1.01 0.00 0.00 57.45 56.98 1nba n PHE 35 Cb 0.00 -0.67 -0.00 0.00 -0.01 0.00 0.00 39.48 38.80 1nba n PHE 35 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1nba n LYS 36 N -2.75 -1.84 -1.21 -1.08 4.81 -0.83 -4.30 118.16 110.96 1nba n LYS 36 Ca 0.13 0.92 -0.29 0.00 -0.87 0.00 0.00 58.31 58.20 1nba n LYS 36 Cb 0.48 -5.50 0.15 0.00 0.02 0.00 0.00 35.03 30.17 1nba n LYS 36 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1nba s ARG 37 N -5.02 1.06 -0.24 1.64 0.52 -1.26 -4.97 118.95 110.67 1nba s ARG 37 Ca 0.03 0.72 -0.13 0.00 -0.52 0.00 0.00 55.73 55.84 1nba s ARG 37 Cb -0.01 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 1nba s ARG 37 CO 0.04 -2.35 0.27 1.03 0.02 0.00 0.00 175.30 174.30 1nba s ARG 38 N -4.96 4.06 0.16 3.54 1.81 -1.26 -4.95 118.95 117.36 1nba s ARG 38 Ca 0.64 -0.10 -0.07 0.00 -1.72 0.00 0.00 55.73 54.48 1nba s ARG 38 Cb -0.18 -3.58 0.02 0.00 -0.45 0.00 0.00 34.95 30.76 1nba s ARG 38 CO 0.57 -0.08 1.47 0.97 -0.68 0.00 0.00 175.30 177.56 1nba h ILE 39 N 5.16 1.29 0.00 1.52 2.10 -1.94 -3.48 117.51 122.15 1nba h ILE 39 Ca -0.36 -1.70 0.00 0.00 1.08 0.00 0.00 64.86 63.88 1nba h ILE 39 Cb 1.17 1.62 0.00 0.00 -1.09 0.00 0.00 36.82 38.52 1nba h ILE 39 CO 0.65 0.55 0.00 0.61 -1.08 0.00 0.00 178.15 178.88 1nba n GLY 40 N 0.24 -1.96 3.78 8.18 0.00 -1.26 -4.68 105.19 109.48 1nba n GLY 40 Ca -0.03 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 1nba n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nba s TYR 41 N -3.29 3.26 0.00 1.61 1.51 -1.26 -4.92 117.35 114.26 1nba s TYR 41 Ca 0.00 1.63 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 1nba s TYR 41 Cb 0.00 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1nba s TYR 41 CO 0.00 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.08 1nba n GLY 42 N 0.51 1.45 0.21 0.71 0.00 -1.26 -5.06 105.19 101.75 1nba n GLY 42 Ca 0.04 -1.90 0.03 0.00 0.00 0.00 0.00 46.02 44.18 1nba n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nba n ASN 43 N 0.00 1.44 -3.25 1.61 5.03 -1.26 -4.88 115.26 113.95 1nba n ASN 43 Ca 0.00 -1.22 -0.15 0.00 0.87 0.00 0.00 54.58 54.08 1nba n ASN 43 Cb 0.00 -0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1nba n ASN 43 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1nba s ARG 44 N -0.44 0.79 0.47 3.52 3.52 -1.26 -4.39 118.95 121.16 1nba s ARG 44 Ca 0.06 -1.08 0.03 0.00 -0.13 0.00 0.00 55.73 54.62 1nba s ARG 44 Cb 0.04 -0.65 0.01 0.00 -1.56 0.00 0.00 34.95 32.80 1nba s ARG 44 CO 0.06 -1.26 0.66 -1.25 -0.81 0.00 0.00 175.30 172.71 1nba s PRO 45 N 1.11 2.79 0.04 5.12 0.04 -1.26 -0.91 135.00 141.93 1nba s PRO 45 Ca 0.22 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.40 1nba s PRO 45 Cb -0.08 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1nba s PRO 45 CO -0.06 -0.41 -0.04 0.00 0.04 0.00 0.00 177.00 176.52 1nba s ALA 46 N -2.54 0.41 -0.10 8.56 0.00 -0.44 -4.34 121.76 123.32 1nba s ALA 46 Ca 0.53 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1nba s ALA 46 Cb -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1nba s ALA 46 CO 0.36 -0.19 -0.08 0.08 0.00 0.00 0.00 175.76 175.93 1nba s VAL 47 N -2.30 3.56 -0.06 0.00 1.01 0.15 -1.09 120.40 121.66 1nba s VAL 47 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1nba s VAL 47 Cb -0.04 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1nba s VAL 47 CO -0.03 0.56 -0.07 -0.51 0.00 0.00 0.00 175.10 175.04 1nba s ILE 48 N -0.33 0.82 -0.44 2.22 2.07 -0.07 -0.38 121.20 125.09 1nba s ILE 48 Ca 0.04 -0.26 -0.15 0.00 -1.41 0.00 0.00 60.65 58.87 1nba s ILE 48 Cb -0.13 -0.81 0.05 0.00 0.13 0.00 0.00 42.46 41.70 1nba s ILE 48 CO 0.02 0.30 0.34 -1.00 -1.91 0.00 0.00 174.94 172.69 1nba s HIS 49 N 1.03 3.24 -0.43 3.50 3.76 -0.21 -1.35 115.29 124.83 1nba s HIS 49 Ca -0.09 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 53.77 1nba s HIS 49 Cb -0.14 -2.86 0.03 0.00 1.11 0.00 0.00 32.58 30.71 1nba s HIS 49 CO -0.00 -0.69 1.11 0.42 -0.85 0.00 0.00 174.74 174.73 1nba s ILE 50 N 1.66 4.31 -1.49 0.60 -1.09 0.07 -1.81 121.20 123.44 1nba s ILE 50 Ca 0.04 1.38 -0.07 0.00 -2.23 0.00 0.00 60.65 59.77 1nba s ILE 50 Cb -0.21 -4.54 0.05 0.00 -1.58 0.00 0.00 42.46 36.18 1nba s ILE 50 CO 0.08 -0.84 0.63 0.47 -1.23 0.00 0.00 174.94 174.05 1nba n ASP 51 N 7.52 -1.87 -3.68 3.58 8.00 -1.01 -1.15 116.55 127.94 1nba n ASP 51 Ca 0.12 -0.95 -0.41 0.00 0.71 0.00 0.00 54.79 54.26 1nba n ASP 51 Cb 0.48 -3.23 0.01 0.00 -0.02 0.00 0.00 41.12 38.36 1nba n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nba n LEU 52 N -4.43 7.34 -4.69 0.64 4.77 -1.26 -4.61 117.00 114.77 1nba n LEU 52 Ca -0.16 -5.08 -0.23 0.00 -0.03 0.00 0.00 56.01 50.51 1nba n LEU 52 Cb 0.61 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 1nba n LEU 52 CO 0.77 1.90 -0.25 0.00 -1.33 0.00 0.00 177.39 178.48 1nba s ALA 53 N -2.30 3.35 0.51 -1.18 0.00 -1.26 -1.69 121.76 119.20 1nba s ALA 53 Ca 0.43 -1.83 0.22 0.00 0.00 0.00 0.00 51.96 50.78 1nba s ALA 53 Cb 0.15 -0.64 1.32 0.00 0.00 0.00 0.00 23.12 23.95 1nba s ALA 53 CO -0.06 0.09 2.01 -0.91 0.00 0.00 0.00 175.76 176.89 1nba h ASN 54 N 1.68 0.06 0.50 0.00 -0.26 -0.76 -0.08 115.58 116.73 1nba h ASN 54 Ca -0.44 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.30 1nba h ASN 54 Cb 1.25 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1nba h ASN 54 CO 0.64 0.04 -0.05 0.00 -1.06 0.00 0.00 177.43 177.00 1nba h ALA 55 N 1.75 1.09 0.00 -0.83 0.00 -1.44 -0.31 119.26 119.52 1nba h ALA 55 Ca 0.23 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.72 1nba h ALA 55 Cb 0.84 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1nba h ALA 55 CO -0.02 0.06 -2.34 0.91 0.00 0.00 0.00 179.25 177.86 1nba n TRP 56 N -3.27 0.00 0.17 0.00 8.01 -0.43 -2.28 117.44 119.64 1nba n TRP 56 Ca -0.01 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.23 1nba n TRP 56 Cb 0.22 -0.88 0.19 0.00 -2.01 0.00 0.00 31.31 28.83 1nba n TRP 56 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1nba h THR 57 N -0.53 0.72 -2.94 -0.99 1.35 -1.05 0.54 112.91 110.00 1nba h THR 57 Ca -0.58 -1.75 -0.64 0.00 -0.55 0.00 0.00 66.41 62.89 1nba h THR 57 Cb 1.64 2.16 -0.07 0.00 -1.73 0.00 0.00 68.15 70.14 1nba h THR 57 CO -0.26 0.37 -0.53 -1.10 -0.25 0.00 0.00 175.52 173.75 1nba s GLN 58 N -3.24 3.26 0.89 4.72 -1.52 -0.13 -4.91 119.66 118.73 1nba s GLN 58 Ca 0.03 -0.41 -0.11 0.00 -1.95 0.00 0.00 55.36 52.91 1nba s GLN 58 Cb 0.08 -2.98 0.12 0.00 -0.22 0.00 0.00 33.01 30.02 1nba s GLN 58 CO 0.70 0.65 1.09 -1.25 -0.25 0.00 0.00 175.29 176.24 1nba s PRO 59 N -1.92 1.31 0.00 2.91 0.04 -1.26 -4.36 135.00 131.72 1nba s PRO 59 Ca 0.26 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1nba s PRO 59 Cb -0.12 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1nba s PRO 59 CO 0.18 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1nba n GLY 60 N -1.16 0.74 3.65 0.56 0.00 -1.26 -5.04 105.19 102.69 1nba n GLY 60 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1nba n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nba s HIS 61 N -2.46 2.79 -1.06 1.61 5.04 -1.26 -5.01 115.29 114.94 1nba s HIS 61 Ca 0.00 -0.16 0.07 0.00 -1.54 0.00 0.00 55.06 53.42 1nba s HIS 61 Cb 0.00 -1.34 0.30 0.00 0.04 0.00 0.00 32.58 31.58 1nba s HIS 61 CO 0.00 0.53 1.20 -0.35 -2.34 0.00 0.00 174.74 173.78 1nba n PRO 62 N -0.24 0.01 -0.13 2.88 -0.04 -1.26 -1.83 135.00 134.38 1nba n PRO 62 Ca -0.09 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1nba n PRO 62 Cb 0.56 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 1nba n PRO 62 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1nba n PHE 63 N -1.47 0.36 -1.71 0.54 3.01 -1.26 -5.01 117.46 111.93 1nba n PHE 63 Ca 0.02 -0.27 -0.43 0.00 1.01 0.00 0.00 57.45 57.79 1nba n PHE 63 Cb 0.08 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1nba n PHE 63 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1nba n SER 64 N 0.92 3.95 -4.58 4.37 7.64 -0.76 -4.32 113.62 120.84 1nba n SER 64 Ca 0.13 1.04 -0.35 0.00 1.01 0.00 0.00 58.87 60.70 1nba n SER 64 Cb 0.45 -1.55 -0.11 0.00 -1.01 0.00 0.00 64.21 61.99 1nba n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nba s PRO 66 N 0.57 -1.39 0.00 0.00 0.04 -1.25 -4.43 135.00 128.54 1nba s PRO 66 Ca 0.02 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1nba s PRO 66 Cb -0.13 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1nba s PRO 66 CO 0.01 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.55 1nba n GLY 67 N 0.20 0.83 0.33 0.56 0.00 -1.26 -4.63 105.19 101.23 1nba n GLY 67 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.30 1nba n GLY 67 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nba h MET 68 N 2.89 0.00 -0.12 1.61 2.86 -1.91 0.09 114.93 120.35 1nba h MET 68 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1nba h MET 68 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1nba h MET 68 CO 0.00 0.00 -0.13 0.93 1.06 0.00 0.00 176.91 178.77 1nba h GLU 69 N 0.00 0.19 0.05 1.72 3.07 -1.96 0.27 114.58 117.91 1nba h GLU 69 Ca 0.02 -0.04 -0.34 0.00 -0.50 0.00 0.00 59.36 58.50 1nba h GLU 69 Cb 0.25 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 1nba h GLU 69 CO -0.00 0.33 -1.96 2.41 -1.40 0.00 0.00 179.01 178.39 1nba n THR 70 N -4.29 1.65 -0.00 1.13 -1.04 -0.02 -4.48 114.28 107.23 1nba n THR 70 Ca -0.01 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.05 61.15 1nba n THR 70 Cb 0.26 -1.30 -0.10 0.00 -1.82 0.00 0.00 70.33 67.37 1nba n THR 70 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nba h ILE 71 N 0.03 1.34 -0.13 12.58 2.04 -1.10 -3.32 117.51 128.95 1nba h ILE 71 Ca -0.39 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.27 1nba h ILE 71 Cb 2.04 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 40.23 1nba h ILE 71 CO 0.06 0.31 -0.12 0.40 0.00 0.00 0.00 178.15 178.80 1nba h ILE 72 N -0.59 0.66 -0.36 -0.67 1.08 -1.19 -1.20 117.51 115.23 1nba h ILE 72 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1nba h ILE 72 Cb 0.54 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1nba h ILE 72 CO 0.01 0.00 0.18 1.55 -0.69 0.00 0.00 178.15 179.20 1nba h PRO 73 N -0.14 0.49 -0.28 2.37 0.13 -1.79 -0.97 132.00 131.80 1nba h PRO 73 Ca 0.09 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.98 1nba h PRO 73 Cb 0.27 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1nba h PRO 73 CO -0.22 0.37 -0.57 -0.91 -0.23 0.00 0.00 178.00 176.45 1nba h ASN 74 N 0.49 0.98 -0.60 1.44 2.35 -1.56 -1.62 115.58 117.06 1nba h ASN 74 Ca 0.13 -0.54 0.03 0.00 -0.55 0.00 0.00 56.30 55.36 1nba h ASN 74 Cb 0.04 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 1nba h ASN 74 CO -0.02 1.34 0.37 0.58 -1.65 0.00 0.00 177.43 178.05 1nba h VAL 75 N 0.66 1.07 -0.79 2.81 2.07 -0.62 -1.92 116.25 119.53 1nba h VAL 75 Ca 0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1nba h VAL 75 Cb 1.18 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1nba h VAL 75 CO 0.13 0.13 0.48 1.56 0.02 0.00 0.00 177.57 179.89 1nba h GLN 76 N 0.73 1.06 -0.83 1.57 4.20 -1.05 0.65 115.11 121.43 1nba h GLN 76 Ca 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1nba h GLN 76 Cb 0.02 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1nba h GLN 76 CO -0.10 0.74 0.52 0.00 -0.67 0.00 0.00 178.83 179.32 1nba h ARG 77 N 1.08 1.12 -0.07 1.46 3.08 -0.55 -0.35 114.38 120.16 1nba h ARG 77 Ca 0.29 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1nba h ARG 77 Cb -0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.75 1nba h ARG 77 CO -0.06 0.77 0.02 0.82 -1.07 0.00 0.00 179.97 180.45 1nba h ILE 78 N 1.14 1.18 -0.42 2.04 2.04 -0.65 -2.34 117.51 120.51 1nba h ILE 78 Ca 0.30 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1nba h ILE 78 Cb -0.08 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1nba h ILE 78 CO -0.06 0.16 0.18 0.78 0.00 0.00 0.00 178.15 179.20 1nba h ASN 79 N -0.10 0.22 -0.78 1.72 2.35 -0.58 0.03 115.58 118.45 1nba h ASN 79 Ca 0.02 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1nba h ASN 79 Cb 0.23 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 1nba h ASN 79 CO -0.00 0.17 0.49 -0.33 -1.65 0.00 0.00 177.43 176.11 1nba h GLU 80 N 0.36 0.94 -0.21 0.81 5.08 -1.03 0.78 114.58 121.31 1nba h GLU 80 Ca 0.19 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1nba h GLU 80 Cb 0.14 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1nba h GLU 80 CO -0.17 0.62 -0.48 0.00 -1.00 0.00 0.00 179.01 177.98 1nba h ALA 81 N 1.32 0.77 0.07 3.43 0.00 -0.81 -2.69 119.26 121.35 1nba h ALA 81 Ca 0.31 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nba h ALA 81 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1nba h ALA 81 CO -0.11 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 1nba h ALA 82 N 1.03 -0.09 -0.97 0.00 0.00 -0.51 -3.22 119.26 115.49 1nba h ALA 82 Ca 0.02 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1nba h ALA 82 Cb 1.01 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1nba h ALA 82 CO 0.09 -0.28 0.63 0.00 0.00 0.00 0.00 179.25 179.69 1nba h ARG 83 N -0.63 1.05 -0.31 0.00 3.08 -0.93 0.56 114.38 117.20 1nba h ARG 83 Ca -0.01 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.07 1nba h ARG 83 Cb 0.53 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1nba h ARG 83 CO 0.02 0.70 0.23 0.00 -1.07 0.00 0.00 179.97 179.84 1nba h ALA 84 N 1.49 2.27 -0.01 0.04 0.00 -1.50 -2.08 119.26 119.47 1nba h ALA 84 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1nba h ALA 84 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nba h ALA 84 CO -0.19 -0.39 -0.61 1.63 0.00 0.00 0.00 179.25 179.69 1nba n LYS 85 N -4.40 0.82 -1.38 0.00 4.76 0.10 -4.97 118.16 113.09 1nba n LYS 85 Ca 0.04 -0.67 -0.02 0.00 -2.87 0.00 0.00 58.31 54.80 1nba n LYS 85 Cb 0.40 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.10 1nba n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nba n GLY 86 N 1.44 0.44 3.75 0.72 0.00 -0.63 -0.72 105.19 110.19 1nba n GLY 86 Ca 0.08 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1nba n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nba s VAL 87 N -2.07 3.27 0.26 1.61 1.01 -0.88 -4.67 120.40 118.92 1nba s VAL 87 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 1nba s VAL 87 Cb 0.00 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1nba s VAL 87 CO 0.00 0.23 1.59 -2.84 0.00 0.00 0.00 175.10 174.07 1nba s PRO 88 N -0.87 4.15 -0.08 2.72 0.02 -1.26 -4.64 135.00 135.05 1nba s PRO 88 Ca 0.51 2.52 0.03 0.00 0.02 0.00 0.00 61.00 64.07 1nba s PRO 88 Cb -0.35 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.12 1nba s PRO 88 CO 0.42 -0.61 -0.17 0.08 -0.33 0.00 0.00 177.00 176.38 1nba s VAL 89 N 0.28 1.50 0.09 3.83 1.01 -1.26 -0.68 120.40 125.18 1nba s VAL 89 Ca 0.65 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.03 1nba s VAL 89 Cb -0.47 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1nba s VAL 89 CO 0.43 0.44 -0.25 -0.36 0.00 0.00 0.00 175.10 175.36 1nba s PHE 90 N 0.50 2.17 0.02 5.22 0.40 0.48 -1.97 117.98 124.81 1nba s PHE 90 Ca -0.16 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.84 1nba s PHE 90 Cb -0.16 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1nba s PHE 90 CO 0.06 0.24 -0.18 0.71 0.70 0.00 0.00 175.22 176.74 1nba s TYR 91 N -0.99 1.58 0.24 0.36 1.51 0.11 -1.04 117.35 119.12 1nba s TYR 91 Ca 0.11 -0.34 0.12 0.00 -1.01 0.00 0.00 57.07 55.95 1nba s TYR 91 Cb -0.10 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 1nba s TYR 91 CO 0.04 0.04 -0.22 0.95 -1.11 0.00 0.00 175.55 175.26 1nba s THR 92 N -0.69 2.41 -0.03 -0.71 -4.23 -0.75 0.00 115.64 111.65 1nba s THR 92 Ca 0.06 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.30 1nba s THR 92 Cb -0.08 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.56 1nba s THR 92 CO 0.01 -0.28 0.08 0.28 -0.54 0.00 0.00 174.62 174.16 1nba s THR 93 N -2.16 -0.02 -0.68 3.99 -1.32 -0.26 -2.41 115.64 112.77 1nba s THR 93 Ca 0.26 0.08 -0.15 0.00 -1.21 0.00 0.00 61.69 60.67 1nba s THR 93 Cb -0.06 -0.13 0.17 0.00 -1.51 0.00 0.00 72.50 70.97 1nba s THR 93 CO 0.13 0.03 0.65 0.21 -2.21 0.00 0.00 174.62 173.43 1nba s ASN 94 N 0.50 6.46 0.09 8.08 2.47 -1.26 -1.01 114.94 130.26 1nba s ASN 94 Ca -0.04 -2.18 0.01 0.00 0.42 0.00 0.00 52.86 51.06 1nba s ASN 94 Cb -0.05 -2.22 -0.04 0.00 -1.45 0.00 0.00 41.25 37.48 1nba s ASN 94 CO -0.02 -0.75 -0.05 0.68 -3.72 0.00 0.00 177.10 173.25 1nba s VAL 95 N 1.04 0.51 -0.06 -5.21 -7.23 -1.10 -4.90 120.40 103.44 1nba s VAL 95 Ca 0.11 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 1nba s VAL 95 Cb -0.20 -1.67 0.01 0.00 0.56 0.00 0.00 36.38 35.08 1nba s VAL 95 CO -0.02 -0.88 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.42 1nba s TYR 96 N -3.74 1.76 0.12 2.82 2.02 0.08 -4.65 117.35 115.76 1nba s TYR 96 Ca 0.11 -0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1nba s TYR 96 Cb 0.06 -1.22 -0.12 0.00 -0.40 0.00 0.00 41.96 40.28 1nba s TYR 96 CO -0.06 -0.27 1.28 0.00 -1.57 0.00 0.00 175.55 174.94 1nba h ARG 97 N 6.67 0.39 -3.45 -0.62 2.47 -1.94 -1.66 114.38 116.25 1nba h ARG 97 Ca -0.29 -0.45 -0.52 0.00 -1.26 0.00 0.00 59.98 57.46 1nba h ARG 97 Cb 1.19 0.13 -0.40 0.00 -1.65 0.00 0.00 29.97 29.25 1nba h ARG 97 CO 0.47 1.12 -0.76 1.21 0.56 0.00 0.00 179.97 182.57 1nba s ASN 98 N -7.09 3.10 -0.35 7.04 3.04 -1.26 -4.92 114.94 114.50 1nba s ASN 98 Ca -0.06 -0.98 0.05 0.00 0.04 0.00 0.00 52.86 51.92 1nba s ASN 98 Cb 0.09 -0.59 0.58 0.00 -1.54 0.00 0.00 41.25 39.78 1nba s ASN 98 CO 0.87 -0.34 1.73 0.54 -3.04 0.00 0.00 177.10 176.86 1nba n ARG 99 N 5.05 2.40 -3.69 0.43 1.74 -1.26 -2.36 116.66 118.98 1nba n ARG 99 Ca -0.07 -2.53 -0.39 0.00 -0.77 0.00 0.00 57.85 54.09 1nba n ARG 99 Cb 0.46 -2.01 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 1nba n ARG 99 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nba s ASP 100 N -0.87 5.47 0.59 0.55 2.15 -1.26 -4.89 116.67 118.41 1nba s ASP 100 Ca 0.47 -0.99 0.29 0.00 0.43 0.00 0.00 52.55 52.76 1nba s ASP 100 Cb 0.39 -1.94 1.72 0.00 -0.30 0.00 0.00 42.92 42.80 1nba s ASP 100 CO 0.10 -0.32 2.15 0.00 -0.17 0.00 0.00 175.17 176.92 1nba h ALA 101 N 8.31 1.70 0.00 3.66 0.00 -1.99 -0.87 119.26 130.08 1nba h ALA 101 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nba h ALA 101 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nba h ALA 101 CO 0.63 -0.21 0.00 0.43 0.00 0.00 0.00 179.25 180.10 1nba n SER 102 N -3.78 0.00 -4.83 0.00 7.64 -1.26 -4.87 113.62 106.53 1nba n SER 102 Ca 0.00 0.40 -0.36 0.00 1.01 0.00 0.00 58.87 59.91 1nba n SER 102 Cb 0.25 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 1nba n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1nba s SER 103 N -2.93 6.95 0.13 6.43 0.15 -0.33 -4.98 113.70 119.12 1nba s SER 103 Ca 0.15 1.22 0.23 0.00 0.70 0.00 0.00 55.95 58.25 1nba s SER 103 Cb 0.18 -2.34 0.89 0.00 -1.71 0.00 0.00 66.02 63.04 1nba s SER 103 CO 0.48 0.13 1.70 0.61 1.20 0.00 0.00 173.24 177.36 1nba n GLY 104 N 1.03 -1.33 0.32 9.45 0.00 -1.26 -2.23 105.19 111.17 1nba n GLY 104 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.03 1nba n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nba n THR 105 N -1.89 2.03 -2.23 2.61 -2.24 -1.26 -5.02 114.28 106.28 1nba n THR 105 Ca 0.04 -2.45 -0.38 0.00 -2.27 0.00 0.00 64.05 58.99 1nba n THR 105 Cb 0.27 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 1nba n THR 105 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nba s ASN 106 N -2.83 6.39 -0.18 3.42 2.20 -0.94 -4.66 114.94 118.32 1nba s ASN 106 Ca 0.35 2.41 0.16 0.00 -0.94 0.00 0.00 52.86 54.84 1nba s ASN 106 Cb 0.31 -2.62 0.63 0.00 -2.00 0.00 0.00 41.25 37.57 1nba s ASN 106 CO 0.01 -0.78 1.54 -0.90 -2.94 0.00 0.00 177.10 174.04 1nba n ASP 107 N -0.04 4.52 0.06 3.54 5.75 -0.99 -4.50 116.55 124.89 1nba n ASP 107 Ca 0.05 -2.90 0.07 0.00 -0.01 0.00 0.00 54.79 52.00 1nba n ASP 107 Cb 0.46 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 39.92 1nba n ASP 107 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1nba n MET 108 N 0.03 0.62 0.00 0.11 2.81 -1.26 -4.92 117.12 114.51 1nba n MET 108 Ca 0.23 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1nba n MET 108 Cb 0.97 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 1nba n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nba n GLY 109 N 1.28 2.48 0.22 3.03 0.00 -1.26 -2.31 105.19 108.63 1nba n GLY 109 Ca -0.05 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1nba n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nba n LEU 110 N 0.00 0.76 0.22 0.99 4.77 -1.26 -3.82 117.00 118.66 1nba n LEU 110 Ca 0.00 -0.18 0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1nba n LEU 110 Cb 0.00 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 41.48 1nba n LEU 110 CO 0.00 0.13 0.80 -0.25 -1.33 0.00 0.00 177.39 176.75 1nba h TRP 111 N 1.07 0.00 -0.00 -1.77 7.01 -1.84 -0.66 115.95 119.76 1nba h TRP 111 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1nba h TRP 111 Cb 0.36 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1nba h TRP 111 CO 0.00 0.25 0.00 -0.92 -2.79 0.00 0.00 178.44 174.98 1nba h TYR 112 N 0.00 0.00 -0.19 2.65 3.20 -1.66 -0.56 116.97 120.41 1nba h TYR 112 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nba h TYR 112 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1nba h TYR 112 CO 0.00 0.00 0.00 0.43 -1.64 0.00 0.00 178.16 176.95 1nba n SER 113 N -3.52 1.31 0.00 -2.11 7.64 -0.25 -4.26 113.62 112.43 1nba n SER 113 Ca -0.03 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1nba n SER 113 Cb 0.08 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1nba n SER 113 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1nba n LYS 114 N 0.14 0.00 -4.43 1.43 4.76 -0.35 -5.11 118.16 114.61 1nba n LYS 114 Ca 0.12 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.35 1nba n LYS 114 Cb 0.24 -0.53 -0.10 0.00 -1.84 0.00 0.00 35.03 32.79 1nba n LYS 114 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1nba s ILE 115 N -1.81 1.66 -1.51 -0.18 -4.36 -0.43 -5.05 121.20 109.52 1nba s ILE 115 Ca 0.00 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.14 1nba s ILE 115 Cb 0.00 -2.43 -0.00 0.00 1.25 0.00 0.00 42.46 41.28 1nba s ILE 115 CO 0.00 -0.31 2.52 -0.81 0.24 0.00 0.00 174.94 176.58 1nba n PRO 116 N -0.58 3.37 0.10 0.37 -0.04 -1.26 -4.29 135.00 132.67 1nba n PRO 116 Ca -0.05 -2.55 0.18 0.00 -0.04 0.00 0.00 63.50 61.04 1nba n PRO 116 Cb 0.63 -3.02 0.73 0.00 -0.04 0.00 0.00 33.50 31.81 1nba n PRO 116 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1nba h THR 117 N 3.48 0.63 0.00 0.52 1.35 -1.86 -2.01 112.91 115.02 1nba h THR 117 Ca 0.70 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.56 1nba h THR 117 Cb 0.47 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1nba h THR 117 CO 1.80 0.00 0.03 -0.33 -0.25 0.00 0.00 175.52 176.77 1nba h GLU 118 N 0.00 0.00 -0.15 4.72 3.07 -1.90 -2.21 114.58 118.11 1nba h GLU 118 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1nba h GLU 118 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1nba h GLU 118 CO -0.00 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.86 1nba n THR 119 N -2.42 0.19 -3.46 1.13 -2.24 -0.76 -4.65 114.28 102.08 1nba n THR 119 Ca -0.02 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 1nba n THR 119 Cb 0.07 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 1nba n THR 119 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nba n LEU 120 N 0.28 4.16 -4.75 3.22 4.77 -0.83 -5.02 117.00 118.82 1nba n LEU 120 Ca 0.16 -5.33 -0.41 0.00 -0.03 0.00 0.00 56.01 50.40 1nba n LEU 120 Cb 0.32 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1nba n LEU 120 CO 0.13 1.88 0.95 -2.84 -1.33 0.00 0.00 177.39 176.18 1nba s PRO 121 N -2.23 4.42 0.65 3.23 0.02 -1.26 -0.74 135.00 139.09 1nba s PRO 121 Ca 0.34 2.06 -0.17 0.00 0.02 0.00 0.00 61.00 63.26 1nba s PRO 121 Cb 0.07 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 1nba s PRO 121 CO -0.03 -0.16 1.17 0.00 -0.33 0.00 0.00 177.00 177.65 1nba s ALA 122 N -0.46 2.41 0.00 -1.55 0.00 -0.62 -3.33 121.76 118.21 1nba s ALA 122 Ca 0.52 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1nba s ALA 122 Cb -0.37 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1nba s ALA 122 CO 0.43 -1.36 0.00 -0.25 0.00 0.00 0.00 175.76 174.58 1nba n ASP 123 N -2.12 0.00 -4.53 0.00 8.00 -1.26 -4.98 116.55 111.66 1nba n ASP 123 Ca 0.12 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 1nba n ASP 123 Cb 0.51 -1.92 0.14 0.00 -0.02 0.00 0.00 41.12 39.83 1nba n ASP 123 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nba s SER 124 N -2.22 3.64 0.18 -2.24 1.04 -1.21 -4.92 113.70 107.96 1nba s SER 124 Ca 0.00 0.60 -0.21 0.00 0.48 0.00 0.00 55.95 56.82 1nba s SER 124 Cb 0.00 -0.92 0.10 0.00 0.10 0.00 0.00 66.02 65.30 1nba s SER 124 CO 0.00 -2.43 1.61 0.22 0.98 0.00 0.00 173.24 173.62 1nba h TYR 125 N -1.42 -0.75 -0.26 5.02 3.20 -1.94 -0.87 116.97 119.94 1nba h TYR 125 Ca -0.46 0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.54 1nba h TYR 125 Cb 1.29 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.95 1nba h TYR 125 CO -0.39 -0.35 0.33 -1.49 -1.64 0.00 0.00 178.16 174.63 1nba h TRP 126 N -0.18 0.00 0.00 -3.82 4.06 -1.91 0.42 115.95 114.52 1nba h TRP 126 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1nba h TRP 126 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1nba h TRP 126 CO -0.53 0.00 -0.37 0.00 -3.56 0.00 0.00 178.44 173.98 1nba n ALA 127 N -2.27 2.69 -1.82 1.49 0.00 -0.34 -1.20 120.51 119.07 1nba n ALA 127 Ca 0.04 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1nba n ALA 127 Cb 0.47 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1nba n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1nba s GLN 128 N -3.13 4.00 0.39 0.00 -0.21 0.14 -4.78 119.66 116.07 1nba s GLN 128 Ca 0.08 1.06 -0.25 0.00 0.02 0.00 0.00 55.36 56.27 1nba s GLN 128 Cb 0.13 -2.14 -0.09 0.00 1.00 0.00 0.00 33.01 31.91 1nba s GLN 128 CO 0.67 -0.23 1.11 0.42 -2.12 0.00 0.00 175.29 175.14 1nba s ILE 129 N -2.40 3.42 0.32 1.08 -1.09 -1.26 -0.57 121.20 120.68 1nba s ILE 129 Ca 0.61 1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 59.89 1nba s ILE 129 Cb -0.10 -3.63 -0.11 0.00 -1.58 0.00 0.00 42.46 37.03 1nba s ILE 129 CO 0.24 0.08 1.57 -0.62 -1.23 0.00 0.00 174.94 174.98 1nba s ASP 130 N -1.30 6.36 0.45 3.58 -1.08 -0.68 -4.76 116.67 119.24 1nba s ASP 130 Ca 0.57 2.98 0.14 0.00 -0.52 0.00 0.00 52.55 55.72 1nba s ASP 130 Cb -0.27 -2.64 1.01 0.00 -1.46 0.00 0.00 42.92 39.56 1nba s ASP 130 CO 0.34 -0.91 2.01 0.44 0.52 0.00 0.00 175.17 177.58 1nba h ASP 131 N 4.35 0.06 0.11 -0.34 3.32 -1.92 -1.38 116.42 120.61 1nba h ASP 131 Ca -0.48 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1nba h ASP 131 Cb 1.23 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1nba h ASP 131 CO 0.75 0.19 -0.01 0.03 -1.72 0.00 0.00 179.24 178.47 1nba h ARG 132 N 0.06 0.00 -0.34 3.56 3.08 -1.99 -2.81 114.38 115.94 1nba h ARG 132 Ca 0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.80 1nba h ARG 132 Cb 0.25 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.96 1nba h ARG 132 CO 0.02 0.01 -0.93 0.44 -1.07 0.00 0.00 179.97 178.44 1nba n ILE 133 N -3.42 1.43 -1.55 2.04 -5.35 -0.56 -4.98 119.36 106.96 1nba n ILE 133 Ca -0.03 -2.84 -0.52 0.00 -0.27 0.00 0.00 62.75 59.10 1nba n ILE 133 Cb 0.11 0.40 -0.05 0.00 -1.74 0.00 0.00 39.64 38.35 1nba n ILE 133 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nba n ALA 134 N -0.45 -1.63 -1.65 -1.28 0.00 -0.97 -4.85 120.51 109.68 1nba n ALA 134 Ca 0.18 0.51 -0.41 0.00 0.00 0.00 0.00 53.44 53.71 1nba n ALA 134 Cb 0.91 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 18.42 1nba n ALA 134 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nba n PRO 135 N 1.86 1.61 -2.81 0.00 -0.02 -1.26 -5.01 135.00 129.37 1nba n PRO 135 Ca 0.17 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 1nba n PRO 135 Cb 0.19 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1nba n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nba s ALA 136 N -1.23 3.89 0.05 3.55 0.00 -1.26 -4.99 121.76 121.76 1nba s ALA 136 Ca 0.62 -1.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 1nba s ALA 136 Cb -0.54 -2.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.45 1nba s ALA 136 CO 0.57 -0.57 1.44 -0.51 0.00 0.00 0.00 175.76 176.69 1nba s ASP 137 N -4.34 6.80 0.00 0.00 1.01 -1.26 -1.84 116.67 117.05 1nba s ASP 137 Ca 0.54 2.24 0.00 0.00 0.71 0.00 0.00 52.55 56.04 1nba s ASP 137 Cb -0.10 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1nba s ASP 137 CO 0.38 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.64 1nba n GLY 138 N 3.65 0.21 3.85 0.21 0.00 -1.26 -5.08 105.19 106.77 1nba n GLY 138 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1nba n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nba s GLU 139 N -0.92 3.97 -0.16 1.61 2.02 -0.77 -4.89 118.70 119.57 1nba s GLU 139 Ca 0.00 0.72 -0.07 0.00 0.02 0.00 0.00 54.97 55.64 1nba s GLU 139 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1nba s GLU 139 CO 0.00 0.01 0.07 0.08 0.02 0.00 0.00 175.26 175.45 1nba s VAL 140 N -2.21 4.92 -0.17 2.63 1.01 -0.83 -4.88 120.40 120.86 1nba s VAL 140 Ca 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 1nba s VAL 140 Cb -0.10 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1nba s VAL 140 CO 0.22 0.51 0.03 -0.69 0.00 0.00 0.00 175.10 175.17 1nba s VAL 141 N -0.05 4.49 -0.11 2.92 1.01 -1.26 0.08 120.40 127.49 1nba s VAL 141 Ca 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1nba s VAL 141 Cb -0.12 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1nba s VAL 141 CO 0.01 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 1nba s ILE 142 N 0.24 2.79 -0.08 2.22 1.01 0.10 -4.92 121.20 122.57 1nba s ILE 142 Ca 0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 1nba s ILE 142 Cb -0.13 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1nba s ILE 142 CO 0.01 0.54 0.46 -1.61 0.00 0.00 0.00 174.94 174.34 1nba s GLU 143 N 0.15 4.22 0.19 2.79 2.02 -1.26 -1.10 118.70 125.72 1nba s GLU 143 Ca -0.09 0.44 0.05 0.00 0.02 0.00 0.00 54.97 55.40 1nba s GLU 143 Cb -0.15 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 1nba s GLU 143 CO 0.05 0.33 -0.08 -1.59 0.02 0.00 0.00 175.26 174.00 1nba s LYS 144 N 0.05 1.23 0.00 1.61 -2.85 -0.18 -4.91 119.74 114.69 1nba s LYS 144 Ca 0.25 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1nba s LYS 144 Cb -0.16 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.85 1nba s LYS 144 CO 0.11 0.05 0.06 0.09 0.10 0.00 0.00 175.35 175.76 1nba n ASN 145 N -0.33 0.13 -4.45 0.03 5.03 -1.26 -2.71 115.26 111.71 1nba n ASN 145 Ca -0.08 -0.54 -0.21 0.00 0.87 0.00 0.00 54.58 54.61 1nba n ASN 145 Cb 0.62 0.81 -0.11 0.00 -1.02 0.00 0.00 39.78 40.08 1nba n ASN 145 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1nba s ARG 146 N -0.81 1.63 0.12 3.52 1.81 -1.26 -4.93 118.95 119.02 1nba s ARG 146 Ca 0.00 -1.90 -0.31 0.00 -1.72 0.00 0.00 55.73 51.80 1nba s ARG 146 Cb 0.00 -0.89 -0.10 0.00 -0.45 0.00 0.00 34.95 33.51 1nba s ARG 146 CO 0.00 -0.16 1.58 0.00 -0.68 0.00 0.00 175.30 176.04 1nba h ALA 147 N 2.14 -0.74 -2.65 2.13 0.00 -1.95 -3.42 119.26 114.77 1nba h ALA 147 Ca -0.41 -0.06 -0.51 0.00 0.00 0.00 0.00 54.91 53.93 1nba h ALA 147 Cb 1.24 0.76 0.08 0.00 0.00 0.00 0.00 17.79 19.87 1nba h ALA 147 CO 0.69 -0.99 0.44 0.45 0.00 0.00 0.00 179.25 179.85 1nba s SER 148 N -4.75 5.64 0.32 0.00 0.15 -1.26 -4.46 113.70 109.34 1nba s SER 148 Ca -0.16 2.23 0.25 0.00 0.70 0.00 0.00 55.95 58.97 1nba s SER 148 Cb 0.08 -2.59 1.10 0.00 -1.71 0.00 0.00 66.02 62.91 1nba s SER 148 CO 0.63 -1.28 1.76 0.00 1.20 0.00 0.00 173.24 175.56 1nba h ALA 149 N 1.19 1.00 0.07 5.45 0.00 -1.83 -3.34 119.26 121.80 1nba h ALA 149 Ca -0.50 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.18 1nba h ALA 149 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1nba h ALA 149 CO 0.57 0.00 -1.17 0.74 0.00 0.00 0.00 179.25 179.38 1nba h PHE 150 N 0.00 0.26 -2.39 0.00 -1.00 -1.92 -3.42 116.94 108.46 1nba h PHE 150 Ca 0.00 -0.19 -0.55 0.00 2.81 0.00 0.00 57.97 60.05 1nba h PHE 150 Cb 0.32 -0.01 0.04 0.00 3.61 0.00 0.00 35.95 39.91 1nba h PHE 150 CO 0.00 1.46 1.11 -0.35 -1.61 0.00 0.00 178.31 178.92 1nba n PRO 151 N -4.15 2.68 -1.04 1.51 -0.04 -1.26 -2.40 135.00 130.30 1nba n PRO 151 Ca -0.25 0.98 -0.01 0.00 -0.04 0.00 0.00 63.50 64.18 1nba n PRO 151 Cb 0.78 -2.87 -0.01 0.00 -0.04 0.00 0.00 33.50 31.37 1nba n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nba n GLY 152 N 4.25 0.45 3.63 0.55 0.00 -1.26 -4.60 105.19 108.22 1nba n GLY 152 Ca 0.19 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1nba n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nba s THR 153 N -1.81 1.25 -1.33 2.61 -4.23 -1.01 -4.93 115.64 106.20 1nba s THR 153 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1nba s THR 153 Cb 0.00 -2.49 0.52 0.00 1.34 0.00 0.00 72.50 71.87 1nba s THR 153 CO 0.00 0.00 1.39 -0.46 -0.54 0.00 0.00 174.62 175.01 1nba n ASN 154 N -1.12 3.53 -0.04 3.99 2.04 -1.26 -4.61 115.26 117.78 1nba n ASN 154 Ca -0.11 -2.29 -0.08 0.00 -0.44 0.00 0.00 54.58 51.66 1nba n ASN 154 Cb 0.67 -0.48 -0.02 0.00 -2.53 0.00 0.00 39.78 37.42 1nba n ASN 154 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1nba h LEU 155 N 3.01 -0.31 -2.14 -4.53 5.85 -1.87 -1.02 115.31 114.29 1nba h LEU 155 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1nba h LEU 155 Cb 1.09 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1nba h LEU 155 CO 0.16 -0.12 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.01 1nba h GLU 156 N -0.06 0.00 -0.46 1.25 4.81 -1.89 -0.46 114.58 117.76 1nba h GLU 156 Ca 0.11 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 1nba h GLU 156 Cb 0.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1nba h GLU 156 CO -0.26 0.05 -0.24 -0.07 -0.73 0.00 0.00 179.01 177.75 1nba h LEU 157 N 0.00 1.01 0.04 1.64 3.38 -1.51 -0.64 115.31 119.23 1nba h LEU 157 Ca -0.00 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1nba h LEU 157 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1nba h LEU 157 CO 0.01 1.20 -0.02 -0.26 0.09 0.00 0.00 178.44 179.46 1nba h PHE 158 N 0.83 -0.04 -0.17 1.13 0.04 -0.87 -1.73 116.94 116.12 1nba h PHE 158 Ca 0.10 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1nba h PHE 158 Cb 0.83 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1nba h PHE 158 CO 0.06 0.20 0.07 -0.07 -0.60 0.00 0.00 178.31 177.96 1nba h LEU 159 N -0.28 0.23 -0.03 1.54 4.07 -1.15 -0.52 115.31 119.17 1nba h LEU 159 Ca -0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.77 1nba h LEU 159 Cb 0.26 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1nba h LEU 159 CO 0.01 0.33 -0.05 0.74 -1.08 0.00 0.00 178.44 178.39 1nba h THR 160 N 0.11 1.43 0.00 0.22 2.02 -1.17 -2.39 112.91 113.13 1nba h THR 160 Ca 0.06 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 1nba h THR 160 Cb 0.17 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1nba h THR 160 CO -0.00 0.36 -0.10 0.28 0.37 0.00 0.00 175.52 176.42 1nba h SER 161 N -0.44 0.00 -0.46 4.18 0.02 -1.30 -2.59 113.55 112.96 1nba h SER 161 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nba h SER 161 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1nba h SER 161 CO 0.01 0.10 0.00 0.59 -1.14 0.00 0.00 176.83 176.39 1nba n ASN 162 N -3.85 4.40 -3.71 3.07 5.03 -0.21 -4.99 115.26 115.00 1nba n ASN 162 Ca -0.02 -2.66 -0.22 0.00 0.87 0.00 0.00 54.58 52.54 1nba n ASN 162 Cb 0.20 -0.54 0.04 0.00 -1.02 0.00 0.00 39.78 38.46 1nba n ASN 162 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nba n ARG 163 N 0.40 -5.27 -2.85 3.52 3.00 -0.98 -4.96 116.66 109.52 1nba n ARG 163 Ca 0.23 0.64 -0.41 0.00 -0.01 0.00 0.00 57.85 58.30 1nba n ARG 163 Cb 0.88 -5.31 -0.04 0.00 0.00 0.00 0.00 32.46 27.99 1nba n ARG 163 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1nba s ILE 164 N -3.57 4.90 -0.52 0.55 -1.09 -0.92 -4.48 121.20 116.06 1nba s ILE 164 Ca 0.13 1.81 0.14 0.00 -2.23 0.00 0.00 60.65 60.49 1nba s ILE 164 Cb -0.06 -4.20 -0.16 0.00 -1.58 0.00 0.00 42.46 36.45 1nba s ILE 164 CO 0.80 0.22 0.53 -0.90 -1.23 0.00 0.00 174.94 174.36 1nba n ASP 165 N 3.69 0.87 -4.07 3.58 5.68 -0.09 -4.87 116.55 121.34 1nba n ASP 165 Ca 0.03 -0.66 -0.18 0.00 -0.50 0.00 0.00 54.79 53.48 1nba n ASP 165 Cb 0.51 1.13 -0.14 0.00 -1.14 0.00 0.00 41.12 41.48 1nba n ASP 165 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1nba s THR 166 N -2.43 0.80 -0.16 2.12 2.01 -1.18 -0.84 115.64 115.96 1nba s THR 166 Ca 0.03 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1nba s THR 166 Cb 0.10 -0.73 0.04 0.00 0.01 0.00 0.00 72.50 71.93 1nba s THR 166 CO 0.57 0.01 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.26 1nba s LEU 167 N -0.81 1.35 -0.28 4.42 2.96 0.06 -1.32 118.68 125.06 1nba s LEU 167 Ca 0.00 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.09 1nba s LEU 167 Cb -0.06 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1nba s LEU 167 CO 0.00 -0.21 0.75 -0.63 -1.32 0.00 0.00 176.35 174.94 1nba s ILE 168 N 1.74 4.86 -0.18 6.68 1.01 -0.25 -1.39 121.20 133.65 1nba s ILE 168 Ca 0.01 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.86 1nba s ILE 168 Cb -0.15 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1nba s ILE 168 CO -0.07 -0.14 -0.03 -0.69 0.00 0.00 0.00 174.94 174.00 1nba s VAL 169 N 2.80 3.72 0.37 2.92 1.01 -0.35 -0.89 120.40 129.98 1nba s VAL 169 Ca 0.31 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1nba s VAL 169 Cb -0.15 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1nba s VAL 169 CO 0.10 0.46 0.04 0.42 0.00 0.00 0.00 175.10 176.12 1nba s THR 170 N 0.82 1.42 -0.13 3.92 -4.23 -0.46 -4.05 115.64 112.94 1nba s THR 170 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1nba s THR 170 Cb -0.14 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1nba s THR 170 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1nba n GLY 171 N -0.84 0.42 3.19 3.99 0.00 0.14 -0.75 105.19 111.33 1nba n GLY 171 Ca -0.05 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.58 1nba n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nba s ALA 172 N -1.97 1.42 0.30 4.61 0.00 -0.30 -1.58 121.76 124.24 1nba s ALA 172 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1nba s ALA 172 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1nba s ALA 172 CO 0.00 0.30 0.24 0.95 0.00 0.00 0.00 175.76 177.25 1nba s THR 173 N -0.79 3.85 0.15 0.00 -4.23 -1.26 -4.32 115.64 109.03 1nba s THR 173 Ca 0.04 -1.41 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1nba s THR 173 Cb -0.08 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1nba s THR 173 CO 0.01 -0.25 1.76 0.00 -0.54 0.00 0.00 174.62 175.60 1nba h ALA 174 N 1.37 0.54 -0.24 3.99 0.00 -1.63 -0.46 119.26 122.83 1nba h ALA 174 Ca -0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1nba h ALA 174 Cb 1.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nba h ALA 174 CO 0.59 0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.92 1nba n ALA 175 N -2.26 3.08 -2.00 0.00 0.00 -1.26 -3.62 120.51 114.46 1nba n ALA 175 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1nba n ALA 175 Cb 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1nba n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nba n GLY 176 N 0.23 3.03 0.34 0.00 0.00 -1.10 -4.99 105.19 102.71 1nba n GLY 176 Ca 0.12 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.97 1nba n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nba h VAL 178 N 0.13 1.44 0.10 0.00 2.07 -1.27 -2.30 116.25 116.42 1nba h VAL 178 Ca 0.20 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1nba h VAL 178 Cb 0.62 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1nba h VAL 178 CO -0.02 0.56 -0.05 -0.09 0.02 0.00 0.00 177.57 177.98 1nba h ARG 179 N -0.16 -0.13 -0.72 1.57 2.43 -1.58 -1.24 114.38 114.54 1nba h ARG 179 Ca -0.05 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1nba h ARG 179 Cb 1.15 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1nba h ARG 179 CO 0.09 0.08 0.47 1.25 -1.51 0.00 0.00 179.97 180.35 1nba h HIS 180 N -0.33 0.92 -0.83 2.20 2.76 -1.58 -0.89 115.15 117.40 1nba h HIS 180 Ca -0.01 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1nba h HIS 180 Cb 0.27 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 1nba h HIS 180 CO -0.01 0.59 0.42 1.15 -1.30 0.00 0.00 177.93 178.78 1nba h THR 181 N 0.98 1.25 -0.09 6.26 2.02 -1.07 -1.82 112.91 120.45 1nba h THR 181 Ca 0.26 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1nba h THR 181 Cb -0.09 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1nba h THR 181 CO -0.05 0.30 -0.02 0.58 0.37 0.00 0.00 175.52 176.70 1nba h VAL 182 N 1.17 1.28 -0.57 3.16 2.07 -0.17 -0.64 116.25 122.55 1nba h VAL 182 Ca 0.29 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1nba h VAL 182 Cb 0.09 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1nba h VAL 182 CO -0.04 0.25 0.26 -0.33 0.02 0.00 0.00 177.57 177.73 1nba h GLU 183 N -0.14 0.46 -0.24 1.57 5.08 -1.12 -1.90 114.58 118.29 1nba h GLU 183 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1nba h GLU 183 Cb 0.41 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1nba h GLU 183 CO 0.01 0.31 0.12 -0.44 -1.00 0.00 0.00 179.01 178.01 1nba h ASP 184 N 0.48 0.31 -0.55 1.42 3.32 -1.20 -2.61 116.42 117.58 1nba h ASP 184 Ca 0.27 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1nba h ASP 184 Cb 0.26 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1nba h ASP 184 CO -0.23 0.32 0.30 0.00 -1.72 0.00 0.00 179.24 177.92 1nba h ALA 185 N 1.00 0.71 -0.30 3.45 0.00 -0.41 0.66 119.26 124.35 1nba h ALA 185 Ca 0.08 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1nba h ALA 185 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nba h ALA 185 CO -0.01 -0.02 -0.32 0.97 0.00 0.00 0.00 179.25 179.87 1nba h ILE 186 N 0.59 1.28 -0.52 0.00 2.10 -1.35 0.14 117.51 119.75 1nba h ILE 186 Ca 0.23 -1.46 -0.01 0.00 1.08 0.00 0.00 64.86 64.71 1nba h ILE 186 Cb 0.10 1.40 -0.02 0.00 -1.09 0.00 0.00 36.82 37.20 1nba h ILE 186 CO -0.14 0.47 0.29 0.00 -1.08 0.00 0.00 178.15 177.69 1nba h ALA 187 N 1.08 0.66 0.00 0.18 0.00 -1.03 -2.81 119.26 117.34 1nba h ALA 187 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1nba h ALA 187 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1nba h ALA 187 CO 0.07 0.17 -0.55 0.87 0.00 0.00 0.00 179.25 179.81 1nba h LYS 188 N 0.69 0.00 0.00 0.00 1.57 -0.57 -3.47 116.57 114.79 1nba h LYS 188 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1nba h LYS 188 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1nba h LYS 188 CO -0.03 0.55 0.00 0.41 -0.57 0.00 0.00 179.45 179.81 1nba n GLY 189 N 0.50 1.46 3.10 3.86 0.00 -0.04 -5.09 105.19 108.98 1nba n GLY 189 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1nba n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nba s PHE 190 N -1.46 1.59 -0.34 1.61 0.08 0.27 -4.90 117.98 114.83 1nba s PHE 190 Ca 0.00 -0.49 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 1nba s PHE 190 Cb 0.00 -1.10 -0.00 0.00 -0.57 0.00 0.00 43.02 41.35 1nba s PHE 190 CO 0.00 -0.19 1.50 1.03 -0.10 0.00 0.00 175.22 177.45 1nba s ARG 191 N 0.22 3.64 -0.17 0.44 0.52 -0.02 -3.28 118.95 120.30 1nba s ARG 191 Ca -0.07 1.22 -0.25 0.00 -0.52 0.00 0.00 55.73 56.12 1nba s ARG 191 Cb -0.12 -4.03 -0.02 0.00 0.52 0.00 0.00 34.95 31.30 1nba s ARG 191 CO 0.03 -1.48 0.80 -2.14 0.02 0.00 0.00 175.30 172.53 1nba s PRO 192 N 4.86 4.29 -0.13 3.54 0.02 -1.26 -0.76 135.00 145.55 1nba s PRO 192 Ca 0.66 0.95 0.01 0.00 0.02 0.00 0.00 61.00 62.63 1nba s PRO 192 Cb -0.18 -3.57 -0.01 0.00 0.02 0.00 0.00 34.50 30.76 1nba s PRO 192 CO 0.30 -0.31 -0.15 0.42 -0.33 0.00 0.00 177.00 176.93 1nba s ILE 193 N 2.09 2.78 -0.30 2.83 1.09 -0.49 -1.68 121.20 127.52 1nba s ILE 193 Ca 0.37 -0.75 -0.04 0.00 -1.10 0.00 0.00 60.65 59.12 1nba s ILE 193 Cb -0.16 -2.16 0.03 0.00 -1.06 0.00 0.00 42.46 39.11 1nba s ILE 193 CO 0.12 0.53 0.03 -0.63 -0.10 0.00 0.00 174.94 174.89 1nba s ILE 194 N 0.50 3.44 -0.57 2.92 1.09 -0.42 -1.22 121.20 126.94 1nba s ILE 194 Ca -0.10 -1.04 -0.28 0.00 -1.10 0.00 0.00 60.65 58.13 1nba s ILE 194 Cb -0.16 -2.86 0.01 0.00 -1.06 0.00 0.00 42.46 38.39 1nba s ILE 194 CO 0.04 -0.00 1.49 -2.16 -0.10 0.00 0.00 174.94 174.21 1nba s PRO 195 N 1.38 3.20 0.41 2.79 0.04 -1.26 -0.97 135.00 140.59 1nba s PRO 195 Ca -0.01 0.49 0.25 0.00 0.04 0.00 0.00 61.00 61.77 1nba s PRO 195 Cb -0.18 -4.17 1.31 0.00 0.04 0.00 0.00 34.50 31.50 1nba s PRO 195 CO 0.00 -2.06 1.66 -0.09 0.04 0.00 0.00 177.00 176.55 1nba h ARG 196 N 11.65 0.17 0.00 4.56 2.43 -1.16 -0.02 114.38 132.01 1nba h ARG 196 Ca -0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1nba h ARG 196 Cb 1.10 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1nba h ARG 196 CO 1.18 0.11 0.00 0.93 -1.51 0.00 0.00 179.97 180.68 1nba h GLU 197 N 0.17 0.00 -0.67 0.20 3.07 -1.90 -3.22 114.58 112.23 1nba h GLU 197 Ca 0.77 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.63 1nba h GLU 197 Cb 2.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.13 1nba h GLU 197 CO -0.44 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.42 1nba n THR 198 N -2.59 2.08 -4.20 1.13 -2.24 -0.02 -4.28 114.28 104.16 1nba n THR 198 Ca 0.04 -1.07 -0.34 0.00 -2.27 0.00 0.00 64.05 60.41 1nba n THR 198 Cb 0.42 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 1nba n THR 198 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nba s ILE 199 N -2.32 3.56 0.43 2.28 -1.09 -1.22 -0.68 121.20 122.16 1nba s ILE 199 Ca 0.42 -0.45 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 1nba s ILE 199 Cb 0.32 -2.59 -0.06 0.00 -1.58 0.00 0.00 42.46 38.56 1nba s ILE 199 CO 0.13 0.46 0.02 -0.83 -1.23 0.00 0.00 174.94 173.49 1nba s GLY 200 N 0.94 2.60 0.00 6.18 0.00 -0.61 -4.96 107.32 111.47 1nba s GLY 200 Ca -0.00 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1nba s GLY 200 CO 0.01 -2.07 0.00 1.34 0.00 0.00 0.00 173.10 172.38 1nba n ASP 201 N -1.03 0.00 0.00 1.64 -0.08 -1.26 -1.87 116.55 113.94 1nba n ASP 201 Ca -0.09 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1nba n ASP 201 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1nba n ASP 201 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1nba n ARG 202 N 0.00 0.00 -4.14 -0.67 1.85 -1.26 -3.80 116.66 108.64 1nba n ARG 202 Ca 0.00 -0.09 -0.09 0.00 -1.00 0.00 0.00 57.85 56.67 1nba n ARG 202 Cb 0.00 -0.39 -0.10 0.00 -1.05 0.00 0.00 32.46 30.92 1nba n ARG 202 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1nba s VAL 203 N 0.00 0.49 0.46 8.89 -7.23 -1.26 -4.98 120.40 116.76 1nba s VAL 203 Ca 0.00 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 1nba s VAL 203 Cb 0.00 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 35.24 1nba s VAL 203 CO 0.00 -0.92 1.31 -2.16 -0.31 0.00 0.00 175.10 173.02 1nba s PRO 204 N -3.87 3.68 0.00 4.82 0.04 -1.26 -4.07 135.00 134.34 1nba s PRO 204 Ca 0.10 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1nba s PRO 204 Cb 0.06 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1nba s PRO 204 CO -0.07 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1nba n GLY 205 N 0.63 2.05 0.39 0.56 0.00 -1.26 -4.86 105.19 102.70 1nba n GLY 205 Ca 0.06 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.11 1nba n GLY 205 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nba h VAL 206 N 0.00 0.72 -0.15 1.61 -1.51 -2.00 -1.51 116.25 113.41 1nba h VAL 206 Ca 0.00 -0.14 -0.22 0.00 -1.23 0.00 0.00 66.70 65.11 1nba h VAL 206 Cb 0.00 0.28 0.01 0.00 -2.13 0.00 0.00 31.29 29.45 1nba h VAL 206 CO 0.00 0.07 -0.78 0.58 -1.23 0.00 0.00 177.57 176.21 1nba h VAL 207 N 0.40 1.28 0.67 7.19 2.07 -1.89 -1.24 116.25 124.74 1nba h VAL 207 Ca 0.43 -1.99 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 1nba h VAL 207 Cb 1.06 1.99 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1nba h VAL 207 CO -0.15 0.63 -0.32 1.56 0.02 0.00 0.00 177.57 179.31 1nba h GLN 208 N 0.52 -0.87 -0.03 1.57 4.20 -1.73 -0.28 115.11 118.49 1nba h GLN 208 Ca -0.05 0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1nba h GLN 208 Cb 1.40 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.37 1nba h GLN 208 CO 0.16 -0.54 -0.48 0.11 -0.67 0.00 0.00 178.83 177.41 1nba h TRP 209 N -1.11 0.09 -0.18 2.96 0.09 -1.36 -0.67 115.95 115.77 1nba h TRP 209 Ca -0.09 -0.03 -0.21 0.00 0.09 0.00 0.00 58.89 58.65 1nba h TRP 209 Cb 0.73 -0.02 0.01 0.00 0.08 0.00 0.00 29.16 29.95 1nba h TRP 209 CO -0.00 0.54 -0.73 -0.91 0.09 0.00 0.00 178.44 177.43 1nba h ASN 210 N 0.06 0.91 0.36 0.11 4.21 -1.24 -1.02 115.58 118.98 1nba h ASN 210 Ca 0.00 -0.57 -0.08 0.00 1.21 0.00 0.00 56.30 56.86 1nba h ASN 210 Cb 0.87 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1nba h ASN 210 CO 0.07 1.37 -0.37 -0.07 -1.29 0.00 0.00 177.43 177.14 1nba h LEU 211 N 0.55 0.01 0.42 1.61 3.38 -0.79 -1.11 115.31 119.37 1nba h LEU 211 Ca -0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1nba h LEU 211 Cb 1.35 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1nba h LEU 211 CO 0.15 0.38 -0.20 0.22 0.09 0.00 0.00 178.44 179.07 1nba h TYR 212 N 0.01 -0.53 -0.93 1.13 3.20 -0.94 -1.82 116.97 117.08 1nba h TYR 212 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1nba h TYR 212 Cb 0.66 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1nba h TYR 212 CO 0.00 -0.27 0.61 -0.44 -1.64 0.00 0.00 178.16 176.42 1nba h ASP 213 N -0.68 1.00 -0.13 -2.11 3.32 -0.94 -1.86 116.42 115.02 1nba h ASP 213 Ca -0.06 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1nba h ASP 213 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1nba h ASP 213 CO 0.10 0.68 0.07 0.40 -1.72 0.00 0.00 179.24 178.77 1nba h ILE 214 N 1.16 1.08 -0.06 0.35 2.04 -1.20 -2.44 117.51 118.44 1nba h ILE 214 Ca 0.38 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1nba h ILE 214 Cb 0.03 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1nba h ILE 214 CO -0.13 0.07 -0.09 -0.78 0.00 0.00 0.00 178.15 177.22 1nba h ASP 215 N 0.13 0.08 0.08 1.72 3.58 -0.83 0.18 116.42 121.35 1nba h ASP 215 Ca 0.05 -0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.31 1nba h ASP 215 Cb 0.05 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1nba h ASP 215 CO -0.01 0.19 -0.65 0.78 -2.88 0.00 0.00 179.24 176.67 1nba h ASN 216 N 0.09 0.63 0.00 2.28 2.35 -0.90 -3.42 115.58 116.60 1nba h ASN 216 Ca 0.02 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1nba h ASN 216 Cb 0.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1nba h ASN 216 CO 0.01 1.11 -0.19 0.29 -1.65 0.00 0.00 177.43 177.00 1nba n LYS 217 N -3.91 3.24 0.00 0.81 5.02 -0.99 -1.96 118.16 120.37 1nba n LYS 217 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1nba n LYS 217 Cb 0.67 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 1nba n LYS 217 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1nba n PHE 218 N -0.45 0.00 -3.83 2.13 3.72 0.52 -5.05 117.46 114.50 1nba n PHE 218 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1nba n PHE 218 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 1nba n PHE 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nba s GLY 219 N -2.32 -0.10 -0.27 1.37 0.00 -0.52 -4.60 107.32 100.89 1nba s GLY 219 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.63 1nba s GLY 219 CO 0.00 2.20 0.20 0.99 0.00 0.00 0.00 173.10 176.49 1nba s ASP 220 N -3.32 6.07 -0.14 1.64 1.01 -0.68 -3.71 116.67 117.54 1nba s ASP 220 Ca 0.20 0.06 -0.26 0.00 0.71 0.00 0.00 52.55 53.26 1nba s ASP 220 Cb -0.01 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1nba s ASP 220 CO 0.02 -0.03 0.88 -0.69 0.21 0.00 0.00 175.17 175.56 1nba s VAL 221 N 1.57 4.86 0.39 -1.27 1.01 -1.26 -1.31 120.40 124.39 1nba s VAL 221 Ca 0.08 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.84 1nba s VAL 221 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1nba s VAL 221 CO 0.09 0.03 0.08 -1.61 0.00 0.00 0.00 175.10 173.69 1nba s GLU 222 N 2.03 1.85 0.43 2.72 0.41 -0.14 -4.93 118.70 121.06 1nba s GLU 222 Ca 0.41 -2.09 -0.03 0.00 -0.41 0.00 0.00 54.97 52.85 1nba s GLU 222 Cb -0.17 -0.87 -0.04 0.00 -1.78 0.00 0.00 34.13 31.27 1nba s GLU 222 CO 0.14 -0.33 0.70 -1.54 -0.49 0.00 0.00 175.26 173.74 1nba s SER 223 N -3.59 6.29 0.29 -0.19 1.04 -1.26 -0.60 113.70 115.68 1nba s SER 223 Ca 0.27 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.48 1nba s SER 223 Cb 0.05 -2.17 0.45 0.00 0.10 0.00 0.00 66.02 64.45 1nba s SER 223 CO 0.14 -0.46 1.79 0.74 0.98 0.00 0.00 173.24 176.42 1nba h THR 224 N 0.46 1.23 -0.19 2.02 2.02 -1.93 -1.80 112.91 114.73 1nba h THR 224 Ca -0.48 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 65.75 1nba h THR 224 Cb 1.21 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 1nba h THR 224 CO 0.62 0.34 -0.16 0.44 0.37 0.00 0.00 175.52 177.12 1nba h ASP 225 N 0.56 -0.51 -0.96 4.18 3.32 -1.99 0.14 116.42 121.17 1nba h ASP 225 Ca 0.11 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.29 1nba h ASP 225 Cb 0.47 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 1nba h ASP 225 CO 0.03 -0.20 0.62 0.28 -1.72 0.00 0.00 179.24 178.24 1nba h SER 226 N -0.17 1.04 -0.46 6.45 0.02 -1.73 -0.96 113.55 117.73 1nba h SER 226 Ca 0.12 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1nba h SER 226 Cb 0.35 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1nba h SER 226 CO -0.29 0.71 0.00 0.58 -1.14 0.00 0.00 176.83 176.69 1nba h VAL 227 N 1.21 1.26 -0.33 2.27 2.07 -0.54 -1.11 116.25 121.08 1nba h VAL 227 Ca 0.38 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1nba h VAL 227 Cb 0.00 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1nba h VAL 227 CO -0.12 0.36 0.09 0.58 0.02 0.00 0.00 177.57 178.50 1nba h VAL 228 N 0.66 1.21 -0.89 2.57 2.07 -0.47 -0.88 116.25 120.51 1nba h VAL 228 Ca 0.13 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1nba h VAL 228 Cb 0.49 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1nba h VAL 228 CO 0.02 0.24 0.58 -0.61 0.02 0.00 0.00 177.57 177.82 1nba h GLN 229 N 0.38 1.12 0.17 1.57 4.15 -0.88 0.23 115.11 121.85 1nba h GLN 229 Ca 0.11 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1nba h GLN 229 Cb 0.27 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1nba h GLN 229 CO -0.00 0.74 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.62 1nba h TYR 230 N 1.15 -0.26 -0.85 3.99 3.20 -0.70 -1.49 116.97 122.00 1nba h TYR 230 Ca 0.35 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 1nba h TYR 230 Cb -0.04 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1nba h TYR 230 CO -0.01 -0.16 0.51 -0.07 -1.64 0.00 0.00 178.16 176.79 1nba h LEU 231 N -0.26 1.02 -1.67 2.82 3.38 -0.64 -1.59 115.31 118.38 1nba h LEU 231 Ca -0.02 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1nba h LEU 231 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1nba h LEU 231 CO 0.02 0.79 -0.19 0.44 0.09 0.00 0.00 178.44 179.58 1nba h ASP 232 N 1.17 0.00 0.13 -0.43 3.32 -0.31 -1.99 116.42 118.30 1nba h ASP 232 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1nba h ASP 232 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1nba h ASP 232 CO -0.06 0.19 -0.09 0.00 -1.72 0.00 0.00 179.24 177.57 1nba n ALA 233 N -2.37 2.76 -1.76 3.45 0.00 -0.58 -4.95 120.51 117.05 1nba n ALA 233 Ca -0.02 -0.37 -0.35 0.00 0.00 0.00 0.00 53.44 52.70 1nba n ALA 233 Cb 0.28 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.52 1nba n ALA 233 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nba s LEU 234 N -2.22 3.72 1.12 0.00 1.43 -0.75 -5.05 118.68 116.93 1nba s LEU 234 Ca 0.34 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.52 1nba s LEU 234 Cb 0.20 -4.58 0.26 0.00 0.03 0.00 0.00 46.19 42.10 1nba s LEU 234 CO 0.41 -1.31 1.05 -2.16 0.23 0.00 0.00 176.35 174.58 1nba s PRO 235 N -3.33 -0.58 0.41 1.29 0.04 -1.26 -4.97 135.00 126.61 1nba s PRO 235 Ca 0.73 0.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1nba s PRO 235 Cb -0.25 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1nba s PRO 235 CO 0.29 -3.44 1.37 -0.65 0.04 0.00 0.00 177.00 174.60 1nba s GLN 236 N -4.68 3.90 0.37 4.56 -1.52 -1.26 -4.84 119.66 116.20 1nba s GLN 236 Ca 0.67 2.31 0.16 0.00 -1.95 0.00 0.00 55.36 56.55 1nba s GLN 236 Cb -0.22 -2.76 1.05 0.00 -0.22 0.00 0.00 33.01 30.85 1nba s GLN 236 CO 0.62 -0.60 1.75 0.35 -0.25 0.00 0.00 175.29 177.15 1nba h PHE 237 N 2.63 0.78 -0.98 0.91 3.57 -1.19 0.79 116.94 123.44 1nba h PHE 237 Ca -0.50 0.03 0.26 0.00 3.53 0.00 0.00 57.97 61.29 1nba h PHE 237 Cb 1.25 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.71 1nba h PHE 237 CO 0.52 0.04 0.67 0.93 -2.23 0.00 0.00 178.31 178.25 1nba h GLU 238 N 0.44 0.18 -0.01 1.11 5.08 -1.89 -0.58 114.58 118.91 1nba h GLU 238 Ca 0.63 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1nba h GLU 238 Cb 1.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1nba h GLU 238 CO -0.37 0.12 -0.51 -0.25 -1.00 0.00 0.00 179.01 177.00 1nba n ASP 239 N -4.39 1.45 -4.78 1.42 8.00 0.27 -4.96 116.55 113.55 1nba n ASP 239 Ca 0.21 -1.15 -0.37 0.00 0.71 0.00 0.00 54.79 54.20 1nba n ASP 239 Cb 0.93 0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 42.43 1nba n ASP 239 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nba s THR 240 N -2.62 4.06 0.04 -3.53 -4.23 -0.23 -5.00 115.64 104.14 1nba s THR 240 Ca 0.18 1.70 0.07 0.00 -1.18 0.00 0.00 61.69 62.46 1nba s THR 240 Cb 0.18 -3.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 1nba s THR 240 CO 0.62 0.13 -0.20 0.68 -0.54 0.00 0.00 174.62 175.31 1nba s VAL 241 N -1.59 1.63 0.72 2.29 -7.23 -1.26 -4.97 120.40 109.98 1nba s VAL 241 Ca 0.51 -1.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.39 1nba s VAL 241 Cb -0.20 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1nba s VAL 241 CO 0.26 0.20 1.07 -2.16 -0.31 0.00 0.00 175.10 174.15 1nba s PRO 242 N -1.16 2.73 -0.15 4.82 0.04 -1.26 -4.44 135.00 135.57 1nba s PRO 242 Ca 0.07 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1nba s PRO 242 Cb -0.09 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1nba s PRO 242 CO 0.02 -1.27 1.00 0.15 0.04 0.00 0.00 177.00 176.94 1nba s LYS 243 N -4.96 4.36 0.23 4.56 1.02 -1.26 -4.94 119.74 118.75 1nba s LYS 243 Ca 0.59 1.35 0.26 0.00 0.02 0.00 0.00 55.97 58.19 1nba s LYS 243 Cb -0.15 -3.57 0.85 0.00 -0.52 0.00 0.00 37.83 34.43 1nba s LYS 243 CO 0.55 -0.41 1.76 0.25 -0.92 0.00 0.00 175.35 176.58 1nba n THR 244 N 4.80 0.66 -4.11 2.17 -2.24 -1.26 -4.90 114.28 109.40 1nba n THR 244 Ca 0.09 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1nba n THR 244 Cb 0.48 -0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 67.94 1nba n THR 244 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nba s LEU 245 N -4.55 1.12 0.84 3.22 1.43 -1.26 -5.15 118.68 114.32 1nba s LEU 245 Ca 0.09 -1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 51.54 1nba s LEU 245 Cb 0.11 1.36 0.10 0.00 0.03 0.00 0.00 46.19 47.79 1nba s LEU 245 CO 0.55 -1.28 1.15 -0.55 0.23 0.00 0.00 176.35 176.45 1nba s SER 246 N -3.26 3.58 0.21 2.29 0.15 -1.26 -4.99 113.70 110.41 1nba s SER 246 Ca 0.32 2.14 -0.30 0.00 0.70 0.00 0.00 55.95 58.81 1nba s SER 246 Cb -0.00 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1nba s SER 246 CO 0.22 -2.67 1.07 -1.81 1.20 0.00 0.00 173.24 171.24 1nba s ASP 247 N -2.71 7.34 0.33 5.45 1.01 -1.26 -4.98 116.67 121.86 1nba s ASP 247 Ca 0.67 2.09 -0.28 0.00 0.71 0.00 0.00 52.55 55.75 1nba s ASP 247 Cb -0.23 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 40.97 1nba s ASP 247 CO 0.55 -0.13 1.16 -0.81 0.21 0.00 0.00 175.17 176.14 1nba n PRO 248 N 1.98 1.76 -4.33 8.23 -0.04 -1.26 -5.02 135.00 136.33 1nba n PRO 248 Ca 0.01 0.62 -0.23 0.00 -0.04 0.00 0.00 63.50 63.86 1nba n PRO 248 Cb 0.46 -2.13 -0.12 0.00 -0.04 0.00 0.00 33.50 31.68 1nba n PRO 248 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1nba s GLN 249 N -1.79 1.25 -0.41 0.54 -1.52 -1.26 -5.08 119.66 111.39 1nba s GLN 249 Ca 0.57 -1.33 -0.27 0.00 -1.95 0.00 0.00 55.36 52.39 1nba s GLN 249 Cb -0.61 -1.44 -0.05 0.00 -0.22 0.00 0.00 33.01 30.69 1nba s GLN 249 CO 0.61 0.31 2.20 -1.25 -0.25 0.00 0.00 175.29 176.91 1nba s PRO 250 N -2.43 2.61 0.03 2.91 0.04 -1.26 -4.96 135.00 131.95 1nba s PRO 250 Ca 0.13 1.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 1nba s PRO 250 Cb -0.08 -4.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1nba s PRO 250 CO 0.06 -2.70 0.89 -1.21 0.04 0.00 0.00 177.00 174.08 1nba s GLU 251 N 7.23 4.57 0.20 4.56 2.02 -1.26 -5.04 118.70 130.98 1nba s GLU 251 Ca 0.92 1.28 -0.18 0.00 0.02 0.00 0.00 54.97 57.00 1nba s GLU 251 Cb -0.22 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 30.52 1nba s GLU 251 CO 0.29 0.11 0.68 0.08 0.02 0.00 0.00 175.26 176.44 1nba s VAL 252 N 0.48 4.64 -0.01 2.63 1.01 -1.26 -5.06 120.40 122.83 1nba s VAL 252 Ca 0.46 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 1nba s VAL 252 Cb -0.21 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1nba s VAL 252 CO 0.26 0.22 0.45 -0.70 0.00 0.00 0.00 175.10 175.33 1nba s GLU 253 N -1.96 4.06 0.15 2.72 2.12 -1.26 -5.03 118.70 119.51 1nba s GLU 253 Ca 0.42 0.47 -0.32 0.00 0.36 0.00 0.00 54.97 55.90 1nba s GLU 253 Cb -0.16 -3.27 -0.12 0.00 0.26 0.00 0.00 34.13 30.84 1nba s GLU 253 CO 0.20 0.57 1.77 0.00 -0.54 0.00 0.00 175.26 177.26 1nba n ALA 254 N 2.20 2.32 -1.71 6.30 0.00 -1.26 -4.96 120.51 123.41 1nba n ALA 254 Ca -0.12 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 1nba n ALA 254 Cb 0.52 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 1nba n ALA 254 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nba n PRO 255 N 4.75 2.46 -2.31 0.00 -0.02 -1.26 -4.98 135.00 133.64 1nba n PRO 255 Ca 0.17 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 62.19 1nba n PRO 255 Cb 0.35 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 1nba n PRO 255 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nba s ALA 256 N 0.46 2.73 0.12 3.55 0.00 -1.26 -4.97 121.76 122.39 1nba s ALA 256 Ca 0.71 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 53.11 1nba s ALA 256 Cb -0.57 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.14 1nba s ALA 256 CO 0.43 -0.67 1.40 -0.51 0.00 0.00 0.00 175.76 176.40 1nba s ASP 257 N -1.86 6.81 0.46 0.00 1.01 -1.26 -4.92 116.67 116.91 1nba s ASP 257 Ca 0.71 2.35 0.30 0.00 0.71 0.00 0.00 52.55 56.62 1nba s ASP 257 Cb -0.22 -2.59 1.65 0.00 1.01 0.00 0.00 42.92 42.77 1nba s ASP 257 CO 0.26 -0.66 1.93 1.55 0.21 0.00 0.00 175.17 178.45 1nba h PRO 258 N 6.77 0.00 0.00 8.23 0.13 -2.05 -3.57 132.00 141.51 1nba h PRO 258 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1nba h PRO 258 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nba h PRO 258 CO 0.87 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.19