#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nss s LEU 2 N 0.00 3.75 0.97 0.99 1.02 -1.26 -5.13 118.68 119.02 2nss s LEU 2 Ca 0.00 -0.13 -0.12 0.00 0.02 0.00 0.00 54.13 53.90 2nss s LEU 2 Cb 0.00 -2.38 0.17 0.00 0.02 0.00 0.00 46.19 44.00 2nss s LEU 2 CO 0.00 0.09 1.10 -0.94 0.02 0.00 0.00 176.35 176.63 2nss s SER 3 N -2.92 2.89 0.31 2.29 1.04 -1.26 -4.82 113.70 111.23 2nss s SER 3 Ca 0.30 1.17 0.01 0.00 0.48 0.00 0.00 55.95 57.91 2nss s SER 3 Cb -0.10 -1.83 0.50 0.00 0.10 0.00 0.00 66.02 64.69 2nss s SER 3 CO 0.23 -2.96 1.88 0.44 0.98 0.00 0.00 173.24 173.80 2nss h ASP 4 N -1.78 0.69 -0.26 7.02 3.32 -2.00 0.16 116.42 123.58 2nss h ASP 4 Ca -0.53 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.29 2nss h ASP 4 Cb 1.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2nss h ASP 4 CO 0.58 0.66 -0.29 1.23 -1.72 0.00 0.00 179.24 179.71 2nss h GLY 5 N 0.91 0.82 0.64 2.75 0.00 -1.99 -1.32 103.07 104.88 2nss h GLY 5 Ca 0.17 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 2nss h GLY 5 CO -0.01 0.68 -0.19 0.83 0.00 0.00 0.00 176.54 177.86 2nss h GLU 6 N 0.65 -0.50 -1.08 4.80 5.08 -1.82 -2.79 114.58 118.92 2nss h GLU 6 Ca 0.08 0.03 0.32 0.00 -1.00 0.00 0.00 59.36 58.79 2nss h GLU 6 Cb 0.81 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.05 2nss h GLU 6 CO 0.07 -0.18 0.67 -1.49 -1.00 0.00 0.00 179.01 177.07 2nss h TRP 7 N -0.88 0.77 -0.46 4.33 4.06 -0.71 -2.11 115.95 120.94 2nss h TRP 7 Ca -0.05 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 2nss h TRP 7 Cb 0.54 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 2nss h TRP 7 CO 0.02 -0.07 0.07 0.37 -3.56 0.00 0.00 178.44 175.27 2nss h GLN 8 N 0.33 0.76 -0.44 0.49 4.15 -1.09 -1.61 115.11 117.71 2nss h GLN 8 Ca 0.70 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.91 2nss h GLN 8 Cb 1.75 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.33 2nss h GLN 8 CO -0.45 0.78 0.29 1.96 -1.93 0.00 0.00 178.83 179.48 2nss h GLN 9 N 0.63 0.59 -0.40 1.69 1.08 -1.13 -0.75 115.11 116.81 2nss h GLN 9 Ca 0.14 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 2nss h GLN 9 Cb 0.39 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 2nss h GLN 9 CO 0.01 0.40 0.06 0.28 -0.95 0.00 0.00 178.83 178.63 2nss h VAL 10 N 0.60 0.76 0.00 -0.54 2.07 -1.32 -1.15 116.25 116.68 2nss h VAL 10 Ca 0.16 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 2nss h VAL 10 Cb -0.05 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2nss h VAL 10 CO -0.03 0.03 -0.46 -0.07 0.02 0.00 0.00 177.57 177.06 2nss h LEU 11 N 0.18 0.00 0.48 2.57 3.38 -1.10 -1.60 115.31 119.22 2nss h LEU 11 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2nss h LEU 11 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2nss h LEU 11 CO -0.28 0.33 -0.23 -1.13 0.09 0.00 0.00 178.44 177.22 2nss h ASN 12 N 0.00 -0.55 -0.55 -0.43 -0.00 -0.98 -2.23 115.58 110.84 2nss h ASN 12 Ca -0.02 -0.03 0.08 0.00 -0.00 0.00 0.00 56.30 56.33 2nss h ASN 12 Cb 1.26 0.14 -0.06 0.00 -0.00 0.00 0.00 38.32 39.66 2nss h ASN 12 CO 0.04 -0.31 0.21 0.58 -0.00 0.00 0.00 177.43 177.95 2nss h VAL 13 N -0.76 0.81 -0.76 2.57 2.07 -1.11 -2.80 116.25 116.27 2nss h VAL 13 Ca -0.07 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2nss h VAL 13 Cb 0.55 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2nss h VAL 13 CO 0.11 0.07 0.31 -0.25 0.02 0.00 0.00 177.57 177.83 2nss h TRP 14 N 0.39 1.15 -0.84 1.57 2.91 -1.30 -1.51 115.95 118.32 2nss h TRP 14 Ca 0.27 -0.08 0.17 0.00 1.13 0.00 0.00 58.89 60.38 2nss h TRP 14 Cb 0.30 -0.35 -0.11 0.00 -0.51 0.00 0.00 29.16 28.50 2nss h TRP 14 CO -0.16 0.87 0.37 0.78 -1.03 0.00 0.00 178.44 179.28 2nss h GLY 15 N 1.14 1.36 0.81 2.65 0.00 -1.13 -0.14 103.07 107.76 2nss h GLY 15 Ca 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2nss h GLY 15 CO -0.02 -0.14 -0.02 1.70 0.00 0.00 0.00 176.54 178.06 2nss h LYS 16 N 0.48 -0.04 -1.01 4.80 3.64 -1.34 -2.84 116.57 120.25 2nss h LYS 16 Ca 0.48 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 60.13 2nss h LYS 16 Cb 0.80 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.50 2nss h LYS 16 CO -0.44 0.16 0.60 0.28 -2.27 0.00 0.00 179.45 177.78 2nss h VAL 17 N -0.23 0.50 0.00 2.00 2.07 -0.77 -2.15 116.25 117.67 2nss h VAL 17 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2nss h VAL 17 Cb 0.22 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2nss h VAL 17 CO 0.01 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 2nss n GLU 18 N -4.87 0.12 0.19 1.57 1.02 -0.11 -2.23 120.64 116.33 2nss n GLU 18 Ca 0.27 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.78 2nss n GLU 18 Cb 0.79 -1.70 0.12 0.00 -0.02 0.00 0.00 31.44 30.64 2nss n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nss h ALA 19 N 2.47 0.89 -1.24 0.62 0.00 -1.38 -3.34 119.26 117.29 2nss h ALA 19 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.37 2nss h ALA 19 Cb 0.40 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 17.85 2nss h ALA 19 CO 0.00 0.21 -0.94 -3.47 0.00 0.00 0.00 179.25 175.05 2nss n ASP 20 N -3.14 -0.14 0.17 0.00 2.03 -0.95 -5.02 116.55 109.51 2nss n ASP 20 Ca 0.03 -3.15 -0.14 0.00 0.52 0.00 0.00 54.79 52.05 2nss n ASP 20 Cb 0.60 0.19 -0.08 0.00 -0.72 0.00 0.00 41.12 41.11 2nss n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2nss h ILE 21 N 1.81 0.73 -0.48 5.18 6.09 -1.60 -0.40 117.51 128.84 2nss h ILE 21 Ca 0.01 -0.25 0.09 0.00 -1.37 0.00 0.00 64.86 63.34 2nss h ILE 21 Cb 1.04 0.87 -0.09 0.00 0.47 0.00 0.00 36.82 39.12 2nss h ILE 21 CO 0.37 0.05 -0.08 0.00 -3.07 0.00 0.00 178.15 175.42 2nss h ALA 22 N 0.13 0.36 -0.23 0.18 0.00 -1.88 0.42 119.26 118.24 2nss h ALA 22 Ca -0.04 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2nss h ALA 22 Cb 0.40 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2nss h ALA 22 CO 0.07 -0.43 -0.07 0.78 0.00 0.00 0.00 179.25 179.60 2nss h GLY 23 N 0.03 0.49 0.83 0.00 0.00 -1.91 -0.11 103.07 102.41 2nss h GLY 23 Ca 0.23 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.17 2nss h GLY 23 CO -0.46 0.38 0.24 0.45 0.00 0.00 0.00 176.54 177.15 2nss h HIS 24 N 0.18 0.44 -0.36 5.60 -0.00 -0.82 -2.68 115.15 117.50 2nss h HIS 24 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 2nss h HIS 24 Cb 0.54 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.80 2nss h HIS 24 CO 0.06 0.24 0.18 0.78 -0.00 0.00 0.00 177.93 179.18 2nss h GLY 25 N 0.47 0.56 0.37 2.45 0.00 -0.08 -1.62 103.07 105.22 2nss h GLY 25 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2nss h GLY 25 CO -0.11 0.26 -0.44 -1.61 0.00 0.00 0.00 176.54 174.64 2nss h GLN 26 N 0.45 -0.73 -0.86 4.80 4.15 -1.05 -1.74 115.11 120.12 2nss h GLN 26 Ca 0.13 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.63 2nss h GLN 26 Cb 0.11 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 2nss h GLN 26 CO -0.02 -0.49 0.57 0.93 -1.93 0.00 0.00 178.83 177.89 2nss h GLU 27 N -0.76 1.05 -0.42 1.69 5.08 -1.37 -0.61 114.58 119.24 2nss h GLU 27 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2nss h GLU 27 Cb 0.73 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2nss h GLU 27 CO -0.18 0.69 0.16 0.28 -1.00 0.00 0.00 179.01 178.96 2nss h VAL 28 N 1.08 1.20 -0.40 3.13 2.07 -1.17 -1.30 116.25 120.85 2nss h VAL 28 Ca 0.34 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 2nss h VAL 28 Cb 0.02 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2nss h VAL 28 CO -0.10 0.23 -0.16 -0.07 0.02 0.00 0.00 177.57 177.49 2nss h LEU 29 N 0.54 0.84 -0.49 2.57 3.38 -1.00 -2.33 115.31 118.80 2nss h LEU 29 Ca 0.14 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2nss h LEU 29 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2nss h LEU 29 CO -0.01 1.04 0.17 0.40 0.09 0.00 0.00 178.44 180.13 2nss h ILE 30 N 0.63 1.22 -0.60 1.22 2.04 -1.11 -0.80 117.51 120.12 2nss h ILE 30 Ca 0.09 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.32 2nss h ILE 30 Cb 0.71 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 2nss h ILE 30 CO 0.05 0.27 0.25 -0.09 0.00 0.00 0.00 178.15 178.63 2nss h ARG 31 N 0.66 0.43 0.15 2.37 9.65 -1.15 -1.26 114.38 125.24 2nss h ARG 31 Ca 0.16 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 2nss h ARG 31 Cb 0.24 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2nss h ARG 31 CO -0.01 0.29 -0.07 1.25 2.80 0.00 0.00 179.97 184.22 2nss h LEU 32 N 0.45 -0.18 -1.02 3.80 5.85 -1.03 -1.30 115.31 121.89 2nss h LEU 32 Ca 0.30 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2nss h LEU 32 Cb 0.33 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2nss h LEU 32 CO -0.27 0.05 0.41 -0.26 -0.34 0.00 0.00 178.44 178.02 2nss h PHE 33 N -0.40 1.08 0.21 1.25 0.04 -0.99 0.96 116.94 119.10 2nss h PHE 33 Ca -0.02 -0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.40 2nss h PHE 33 Cb 0.32 -0.34 0.03 0.00 2.20 0.00 0.00 35.95 38.15 2nss h PHE 33 CO -0.01 0.76 -1.43 1.79 -0.60 0.00 0.00 178.31 178.83 2nss h THR 34 N 1.10 1.33 0.00 -1.55 1.35 -1.28 -2.95 112.91 110.91 2nss h THR 34 Ca 0.27 -2.81 -0.07 0.00 -0.55 0.00 0.00 66.41 63.25 2nss h THR 34 Cb 0.06 3.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 2nss h THR 34 CO -0.04 0.84 -0.34 1.23 -0.25 0.00 0.00 175.52 176.95 2nss h GLY 35 N 0.63 0.00 -5.92 5.82 0.00 -1.14 -3.39 103.07 99.07 2nss h GLY 35 Ca -0.22 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.62 2nss h GLY 35 CO 0.25 0.00 -0.91 1.42 0.00 0.00 0.00 176.54 177.30 2nss n HIS 36 N -3.32 -1.35 0.19 5.60 8.25 0.32 -5.00 115.22 119.92 2nss n HIS 36 Ca 0.01 -2.99 0.13 0.00 -0.26 0.00 0.00 57.72 54.61 2nss n HIS 36 Cb 0.57 0.34 0.67 0.00 1.12 0.00 0.00 29.99 32.69 2nss n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2nss h PRO 37 N 4.81 0.00 0.00 -0.41 0.11 -1.73 -1.85 132.00 132.93 2nss h PRO 37 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2nss h PRO 37 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2nss h PRO 37 CO 0.35 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.19 2nss h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.93 -2.74 114.58 120.05 2nss h GLU 38 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2nss h GLU 38 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2nss h GLU 38 CO 0.00 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.85 2nss h THR 39 N 0.00 0.00 0.00 -1.06 1.35 -1.67 -3.18 112.91 108.35 2nss h THR 39 Ca 0.00 -0.45 -0.14 0.00 -0.55 0.00 0.00 66.41 65.27 2nss h THR 39 Cb 0.45 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 2nss h THR 39 CO 0.00 0.00 -0.80 0.25 -0.25 0.00 0.00 175.52 174.72 2nss h LEU 40 N 0.00 0.00 0.00 3.87 5.85 -1.69 -3.07 115.31 120.27 2nss h LEU 40 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2nss h LEU 40 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2nss h LEU 40 CO 0.00 0.63 0.00 -0.62 -0.34 0.00 0.00 178.44 178.11 2nss n GLU 41 N -3.18 0.16 0.00 1.25 -0.58 -1.20 -1.69 120.64 115.40 2nss n GLU 41 Ca -0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 2nss n GLU 41 Cb 0.80 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 30.35 2nss n GLU 41 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2nss n LYS 42 N -1.42 0.03 -3.72 3.49 4.76 -1.16 -4.65 118.16 115.49 2nss n LYS 42 Ca 0.10 0.32 -0.29 0.00 -2.87 0.00 0.00 58.31 55.57 2nss n LYS 42 Cb 0.30 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.84 2nss n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2nss s PHE 43 N -2.89 1.34 0.15 2.13 0.40 -0.68 -5.01 117.98 113.43 2nss s PHE 43 Ca 0.05 -1.36 -0.16 0.00 -0.60 0.00 0.00 56.93 54.86 2nss s PHE 43 Cb 0.05 -1.39 0.05 0.00 0.51 0.00 0.00 43.02 42.24 2nss s PHE 43 CO 0.14 -0.79 1.77 -0.44 0.70 0.00 0.00 175.22 176.61 2nss h ASP 44 N 8.17 0.25 0.00 1.36 3.32 -1.82 -1.63 116.42 126.07 2nss h ASP 44 Ca -0.15 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2nss h ASP 44 Cb 1.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2nss h ASP 44 CO 0.42 0.18 0.38 0.07 -1.72 0.00 0.00 179.24 178.58 2nss h LYS 45 N 0.36 0.00 -0.00 3.56 2.10 -1.94 -2.59 116.57 118.05 2nss h LYS 45 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2nss h LYS 45 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2nss h LYS 45 CO -0.12 0.00 -0.19 1.19 -2.00 0.00 0.00 179.45 178.33 2nss n PHE 46 N -2.73 0.00 0.21 0.07 3.72 -0.68 -4.73 117.46 113.32 2nss n PHE 46 Ca -0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 2nss n PHE 46 Cb 0.42 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.44 2nss n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2nss h LYS 47 N 0.37 0.00 0.00 -1.08 2.10 -0.95 -1.60 116.57 115.41 2nss h LYS 47 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nss h LYS 47 Cb 0.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2nss h LYS 47 CO 0.00 0.28 -0.01 1.12 -2.00 0.00 0.00 179.45 178.83 2nss h HIS 48 N 0.00 0.00 -1.58 0.07 2.07 -1.85 -3.41 115.15 110.45 2nss h HIS 48 Ca -0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2nss h HIS 48 Cb 0.56 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.48 2nss h HIS 48 CO 0.00 0.01 1.17 -0.51 -3.07 0.00 0.00 177.93 175.53 2nss s LEU 49 N -6.25 3.28 0.16 6.12 1.43 -0.60 -4.73 118.68 118.08 2nss s LEU 49 Ca -0.01 -0.53 0.22 0.00 -1.03 0.00 0.00 54.13 52.78 2nss s LEU 49 Cb 0.11 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2nss s LEU 49 CO 0.50 -2.12 0.98 0.29 0.23 0.00 0.00 176.35 176.23 2nss n LYS 50 N 9.09 0.59 -4.24 1.70 4.76 -1.26 -4.97 118.16 123.83 2nss n LYS 50 Ca 0.23 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.58 2nss n LYS 50 Cb 0.50 -1.77 -0.11 0.00 -1.84 0.00 0.00 35.03 31.81 2nss n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2nss s THR 51 N -3.37 1.26 0.26 -0.18 -4.23 -1.26 -5.04 115.64 103.08 2nss s THR 51 Ca -0.01 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2nss s THR 51 Cb 0.10 -1.64 0.25 0.00 1.34 0.00 0.00 72.50 72.55 2nss s THR 51 CO 0.80 -0.55 1.82 -0.08 -0.54 0.00 0.00 174.62 176.07 2nss h GLU 52 N 3.22 0.84 -0.50 3.99 4.81 -1.99 -1.52 114.58 123.43 2nss h GLU 52 Ca -0.38 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 58.86 2nss h GLU 52 Cb 1.20 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 2nss h GLU 52 CO 0.56 0.56 0.20 0.00 -0.73 0.00 0.00 179.01 179.60 2nss h ALA 53 N 1.50 0.63 -0.59 2.92 0.00 -1.98 -0.80 119.26 120.93 2nss h ALA 53 Ca 0.45 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 2nss h ALA 53 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2nss h ALA 53 CO -0.27 -0.18 0.00 0.93 0.00 0.00 0.00 179.25 179.73 2nss h GLU 54 N 0.39 1.03 -0.72 0.00 5.08 -1.85 -2.09 114.58 116.43 2nss h GLU 54 Ca 0.24 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2nss h GLU 54 Cb 0.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2nss h GLU 54 CO -0.22 1.01 0.47 0.52 -1.00 0.00 0.00 179.01 179.78 2nss h MET 55 N 0.95 0.93 0.00 2.33 2.86 -0.84 -2.74 114.93 118.42 2nss h MET 55 Ca 0.17 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2nss h MET 55 Cb 0.54 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2nss h MET 55 CO 0.03 0.61 -0.24 0.87 1.06 0.00 0.00 176.91 179.24 2nss h LYS 56 N 0.96 0.00 0.00 1.72 1.57 -0.96 -2.96 116.57 116.90 2nss h LYS 56 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2nss h LYS 56 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2nss h LYS 56 CO -0.07 0.24 -0.41 0.00 -0.57 0.00 0.00 179.45 178.65 2nss n ALA 57 N -2.22 2.88 -2.48 3.86 0.00 -0.80 -4.87 120.51 116.88 2nss n ALA 57 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2nss n ALA 57 Cb 0.46 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 2nss n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nss s SER 58 N -3.83 6.51 0.39 0.00 0.15 -1.05 -4.92 113.70 110.95 2nss s SER 58 Ca 0.09 0.71 0.08 0.00 0.70 0.00 0.00 55.95 57.53 2nss s SER 58 Cb 0.15 -2.54 0.81 0.00 -1.71 0.00 0.00 66.02 62.73 2nss s SER 58 CO 0.67 -1.31 1.97 -0.33 1.20 0.00 0.00 173.24 175.45 2nss h GLU 59 N 9.85 0.38 0.00 5.44 4.39 -1.89 -3.08 114.58 129.67 2nss h GLU 59 Ca -0.25 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.28 2nss h GLU 59 Cb 1.08 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2nss h GLU 59 CO 1.10 0.38 -0.51 0.22 -1.16 0.00 0.00 179.01 179.03 2nss h ASP 60 N 0.38 0.00 -0.09 1.42 3.58 -1.97 -1.79 116.42 117.95 2nss h ASP 60 Ca 0.09 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 2nss h ASP 60 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2nss h ASP 60 CO -0.00 0.51 -0.19 0.25 -2.88 0.00 0.00 179.24 176.93 2nss h LEU 61 N 0.00 0.32 -0.69 2.28 6.46 -1.88 0.53 115.31 122.34 2nss h LEU 61 Ca -0.01 -0.57 0.14 0.00 -0.12 0.00 0.00 57.88 57.32 2nss h LEU 61 Cb 0.94 -0.09 -0.13 0.00 -0.73 0.00 0.00 40.66 40.65 2nss h LEU 61 CO 0.07 0.83 -0.18 0.11 -0.62 0.00 0.00 178.44 178.65 2nss h LYS 62 N -0.18 -0.01 -0.33 1.25 1.57 -1.49 0.71 116.57 118.10 2nss h LYS 62 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2nss h LYS 62 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2nss h LYS 62 CO 0.04 -0.00 0.07 -0.22 -0.57 0.00 0.00 179.45 178.77 2nss h LYS 63 N -0.01 0.54 -0.13 3.15 3.64 -1.15 -1.70 116.57 120.92 2nss h LYS 63 Ca 0.33 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2nss h LYS 63 Cb 0.51 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2nss h LYS 63 CO -0.72 0.61 -0.04 1.25 -2.27 0.00 0.00 179.45 178.28 2nss h HIS 64 N 0.38 -0.08 -0.93 1.91 2.76 -0.71 -1.88 115.15 116.60 2nss h HIS 64 Ca 0.10 0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.41 2nss h HIS 64 Cb 0.32 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.25 2nss h HIS 64 CO 0.02 -0.06 0.55 0.78 -1.30 0.00 0.00 177.93 177.92 2nss h GLY 65 N -0.01 1.51 0.98 5.26 0.00 -0.70 -1.52 103.07 108.58 2nss h GLY 65 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2nss h GLY 65 CO -0.14 0.10 0.25 -0.84 0.00 0.00 0.00 176.54 175.92 2nss h THR 66 N 0.86 1.16 -0.08 4.70 2.02 -1.10 -1.55 112.91 118.93 2nss h THR 66 Ca 0.47 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2nss h THR 66 Cb 0.51 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2nss h THR 66 CO -0.28 0.17 0.04 0.58 0.37 0.00 0.00 175.52 176.40 2nss h VAL 67 N 0.60 1.00 0.49 3.16 2.07 -0.79 -1.32 116.25 121.46 2nss h VAL 67 Ca 0.16 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2nss h VAL 67 Cb 0.05 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2nss h VAL 67 CO -0.03 0.02 -0.33 0.58 0.02 0.00 0.00 177.57 177.83 2nss h VAL 68 N 0.08 0.32 -0.45 2.57 2.07 -1.21 -1.07 116.25 118.56 2nss h VAL 68 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2nss h VAL 68 Cb 0.01 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2nss h VAL 68 CO -0.02 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.46 2nss h LEU 69 N -0.80 0.73 -0.34 2.57 3.38 -1.35 -0.85 115.31 118.66 2nss h LEU 69 Ca -0.05 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2nss h LEU 69 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2nss h LEU 69 CO 0.04 0.83 0.16 0.74 0.09 0.00 0.00 178.44 180.29 2nss h THR 70 N 0.70 0.96 -0.52 0.22 2.02 -1.18 0.14 112.91 115.25 2nss h THR 70 Ca 0.13 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2nss h THR 70 Cb 0.49 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2nss h THR 70 CO 0.03 0.06 0.31 0.00 0.37 0.00 0.00 175.52 176.29 2nss h ALA 71 N 1.19 0.66 -0.74 6.16 0.00 -0.74 -1.88 119.26 123.91 2nss h ALA 71 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2nss h ALA 71 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2nss h ALA 71 CO -0.12 0.03 0.48 1.25 0.00 0.00 0.00 179.25 180.89 2nss h LEU 72 N 0.63 0.86 -0.16 0.00 5.85 -1.03 -2.62 115.31 118.83 2nss h LEU 72 Ca 0.21 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2nss h LEU 72 Cb 0.01 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2nss h LEU 72 CO -0.09 0.63 -0.12 1.23 -0.34 0.00 0.00 178.44 179.76 2nss h GLY 73 N 1.01 0.00 0.26 3.75 0.00 -0.50 -1.00 103.07 106.59 2nss h GLY 73 Ca 0.27 0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.89 2nss h GLY 73 CO -0.06 -0.13 0.48 -1.33 0.00 0.00 0.00 176.54 175.50 2nss h GLY 74 N -0.13 1.45 0.75 4.60 0.00 -1.12 -0.97 103.07 107.66 2nss h GLY 74 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2nss h GLY 74 CO -0.24 -0.01 -0.18 -2.22 0.00 0.00 0.00 176.54 173.89 2nss h ILE 75 N 0.69 0.61 -0.98 2.60 2.04 -1.07 -3.19 117.51 118.21 2nss h ILE 75 Ca 0.48 -0.43 0.16 0.00 1.00 0.00 0.00 64.86 66.06 2nss h ILE 75 Cb 0.65 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 2nss h ILE 75 CO -0.35 0.08 0.61 -0.07 0.00 0.00 0.00 178.15 178.42 2nss h LEU 76 N -0.76 0.78 0.00 1.44 3.38 -0.81 -0.86 115.31 118.48 2nss h LEU 76 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2nss h LEU 76 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2nss h LEU 76 CO 0.08 0.35 0.00 0.29 0.09 0.00 0.00 178.44 179.26 2nss n LYS 77 N -4.65 0.06 0.00 1.13 5.02 -0.40 -1.58 118.16 117.73 2nss n LYS 77 Ca 0.20 0.20 0.15 0.00 -2.02 0.00 0.00 58.31 56.84 2nss n LYS 77 Cb 0.49 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.66 2nss n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2nss n LYS 78 N -1.45 1.01 -4.07 1.97 4.76 -0.33 -4.97 118.16 115.09 2nss n LYS 78 Ca 0.05 -0.37 -0.28 0.00 -2.87 0.00 0.00 58.31 54.84 2nss n LYS 78 Cb 0.18 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.83 2nss n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2nss n LYS 79 N -0.67 -2.40 0.00 1.97 5.02 -0.62 -1.73 118.16 119.74 2nss n LYS 79 Ca 0.18 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2nss n LYS 79 Cb 0.26 -4.16 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 2nss n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nss n GLY 80 N -2.19 1.82 2.63 0.72 0.00 -1.26 -4.93 105.19 101.99 2nss n GLY 80 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 2nss n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nss n HIS 81 N -2.00 2.30 -0.51 1.61 8.25 -0.70 -4.73 115.22 119.43 2nss n HIS 81 Ca 0.00 -2.27 0.06 0.00 -0.26 0.00 0.00 57.72 55.25 2nss n HIS 81 Cb 0.00 -1.38 0.15 0.00 1.12 0.00 0.00 29.99 29.88 2nss n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2nss n HIS 82 N 0.49 0.44 -0.26 4.41 1.44 -1.26 -4.77 115.22 115.71 2nss n HIS 82 Ca 0.52 -0.68 0.01 0.00 -2.01 0.00 0.00 57.72 55.56 2nss n HIS 82 Cb 0.37 -0.13 0.08 0.00 0.12 0.00 0.00 29.99 30.43 2nss n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2nss h GLU 83 N 1.26 -0.03 -0.40 -1.40 4.57 -1.98 0.35 114.58 116.96 2nss h GLU 83 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2nss h GLU 83 Cb 0.93 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 2nss h GLU 83 CO 0.06 -0.02 0.02 0.00 -1.18 0.00 0.00 179.01 177.90 2nss h ALA 84 N 1.62 1.30 0.10 2.92 0.00 -2.01 -0.74 119.26 122.44 2nss h ALA 84 Ca 0.35 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 2nss h ALA 84 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2nss h ALA 84 CO -0.79 0.48 -1.26 0.93 0.00 0.00 0.00 179.25 178.61 2nss h GLU 85 N 0.60 0.20 0.22 0.00 3.07 -1.76 -3.37 114.58 113.54 2nss h GLU 85 Ca 0.13 -0.35 -0.32 0.00 -0.50 0.00 0.00 59.36 58.33 2nss h GLU 85 Cb 0.34 0.13 0.03 0.00 -0.84 0.00 0.00 28.75 28.41 2nss h GLU 85 CO 0.01 1.13 -1.43 1.25 -1.40 0.00 0.00 179.01 178.57 2nss h LEU 86 N 0.06 0.73 -0.44 1.33 6.46 -0.22 -3.39 115.31 119.84 2nss h LEU 86 Ca -0.13 -0.93 0.05 0.00 -0.12 0.00 0.00 57.88 56.75 2nss h LEU 86 Cb 1.94 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 41.55 2nss h LEU 86 CO 0.18 1.68 -0.56 0.50 -0.62 0.00 0.00 178.44 179.62 2nss h LYS 87 N 0.04 -0.36 0.00 1.25 3.64 -1.30 -1.52 116.57 118.32 2nss h LYS 87 Ca -0.26 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2nss h LYS 87 Cb 2.06 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.96 2nss h LYS 87 CO 0.23 -0.24 -0.03 -1.00 -2.27 0.00 0.00 179.45 176.14 2nss h PRO 88 N -0.38 0.00 0.16 1.90 0.13 -1.76 -0.38 132.00 131.67 2nss h PRO 88 Ca 0.08 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.99 2nss h PRO 88 Cb 0.59 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.74 2nss h PRO 88 CO -0.62 0.03 -0.98 -0.07 -0.23 0.00 0.00 178.00 176.13 2nss h LEU 89 N 0.00 0.59 -0.29 1.56 3.38 -1.58 0.20 115.31 119.16 2nss h LEU 89 Ca -0.00 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.10 2nss h LEU 89 Cb 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2nss h LEU 89 CO 0.00 1.47 -0.04 0.00 0.09 0.00 0.00 178.44 179.96 2nss h ALA 90 N 0.13 0.22 -0.09 1.53 0.00 -1.09 -1.12 119.26 118.84 2nss h ALA 90 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nss h ALA 90 Cb 1.76 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2nss h ALA 90 CO 0.18 -0.44 0.05 1.96 0.00 0.00 0.00 179.25 181.00 2nss h GLN 91 N 0.04 0.11 -0.59 0.00 4.20 -1.04 -2.30 115.11 115.53 2nss h GLN 91 Ca 0.14 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2nss h GLN 91 Cb 0.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2nss h GLN 91 CO -0.27 0.07 0.15 0.66 -0.67 0.00 0.00 178.83 178.77 2nss h SER 92 N 0.11 0.89 -0.08 1.46 4.64 -0.88 -1.47 113.55 118.22 2nss h SER 92 Ca 0.03 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 2nss h SER 92 Cb -0.01 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 2nss h SER 92 CO -0.01 0.89 -0.21 0.45 -0.87 0.00 0.00 176.83 177.07 2nss h HIS 93 N 0.85 0.54 0.15 4.77 3.86 -1.14 -1.08 115.15 123.10 2nss h HIS 93 Ca 0.19 -0.10 -0.30 0.00 -1.16 0.00 0.00 60.37 58.99 2nss h HIS 93 Cb 0.34 -0.14 0.03 0.00 1.06 0.00 0.00 27.41 28.70 2nss h HIS 93 CO 0.02 0.67 -1.29 0.00 0.86 0.00 0.00 177.93 178.19 2nss h ALA 94 N 1.34 -0.02 0.00 2.45 0.00 -1.39 0.43 119.26 122.07 2nss h ALA 94 Ca 0.07 -0.80 -0.24 0.00 0.00 0.00 0.00 54.91 53.95 2nss h ALA 94 Cb 0.62 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2nss h ALA 94 CO 0.04 0.71 -1.34 2.41 0.00 0.00 0.00 179.25 181.07 2nss n THR 95 N -3.76 1.52 -0.11 0.00 -1.04 -0.56 -4.08 114.28 106.26 2nss n THR 95 Ca -0.14 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 2nss n THR 95 Cb 1.01 -2.06 -0.09 0.00 -1.82 0.00 0.00 70.33 67.37 2nss n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2nss n LYS 96 N -4.43 0.55 0.18 -2.82 4.81 -0.50 -4.53 118.16 111.42 2nss n LYS 96 Ca -0.32 0.44 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 2nss n LYS 96 Cb 0.67 -1.64 0.11 0.00 0.02 0.00 0.00 35.03 34.19 2nss n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nss h HIS 97 N -1.00 0.00 -6.36 5.64 -0.00 -1.42 -3.49 115.15 108.53 2nss h HIS 97 Ca -0.38 0.00 -0.46 0.00 -0.00 0.00 0.00 60.37 59.52 2nss h HIS 97 Cb 1.27 0.00 0.05 0.00 -0.00 0.00 0.00 27.41 28.73 2nss h HIS 97 CO -0.05 0.03 -0.94 1.63 -0.00 0.00 0.00 177.93 178.60 2nss n LYS 98 N -2.99 -1.39 -3.36 2.45 4.76 0.31 -4.97 118.16 112.98 2nss n LYS 98 Ca 0.03 0.40 -0.40 0.00 -2.87 0.00 0.00 58.31 55.46 2nss n LYS 98 Cb 0.55 -3.97 -0.09 0.00 -1.84 0.00 0.00 35.03 29.69 2nss n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2nss s ILE 99 N -3.54 5.13 0.68 -0.18 -1.09 0.12 -4.98 121.20 117.34 2nss s ILE 99 Ca 0.41 0.26 -0.17 0.00 -2.23 0.00 0.00 60.65 58.92 2nss s ILE 99 Cb -0.16 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2nss s ILE 99 CO 0.88 -0.06 1.26 -2.65 -1.23 0.00 0.00 174.94 173.15 2nss n PRO 100 N 5.46 0.93 0.26 2.79 -0.02 -1.26 -4.68 135.00 138.48 2nss n PRO 100 Ca -0.08 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2nss n PRO 100 Cb 0.50 -2.50 0.67 0.00 -0.02 0.00 0.00 33.50 32.15 2nss n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2nss h ILE 101 N 0.26 0.54 -0.49 4.25 2.10 -1.96 -1.20 117.51 121.02 2nss h ILE 101 Ca -0.50 -0.66 0.14 0.00 1.08 0.00 0.00 64.86 64.92 2nss h ILE 101 Cb 1.33 1.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 2nss h ILE 101 CO 0.52 0.14 0.37 0.50 -1.08 0.00 0.00 178.15 178.59 2nss h LYS 102 N 0.00 0.00 -0.05 2.19 1.63 -2.00 -0.95 116.57 117.40 2nss h LYS 102 Ca -0.00 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.62 2nss h LYS 102 Cb 0.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2nss h LYS 102 CO 0.02 0.00 -0.74 1.88 -3.45 0.00 0.00 179.45 177.15 2nss h TYR 103 N 0.00 0.39 -0.61 1.91 -1.99 -1.57 -1.45 116.97 113.65 2nss h TYR 103 Ca 0.23 -0.18 0.04 0.00 2.00 0.00 0.00 58.73 60.82 2nss h TYR 103 Cb 0.96 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 39.59 2nss h TYR 103 CO 0.00 0.93 0.35 1.25 -0.00 0.00 0.00 178.16 180.69 2nss h LEU 104 N 0.19 0.54 0.34 3.88 5.85 -1.29 -1.16 115.31 123.67 2nss h LEU 104 Ca -0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2nss h LEU 104 Cb 1.32 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2nss h LEU 104 CO 0.12 0.37 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.02 2nss h GLU 105 N 0.67 -0.85 -0.79 1.25 4.81 -1.20 -2.30 114.58 116.18 2nss h GLU 105 Ca 0.26 0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.74 2nss h GLU 105 Cb 0.10 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.55 2nss h GLU 105 CO -0.14 -0.57 0.17 0.74 -0.73 0.00 0.00 179.01 178.49 2nss h PHE 106 N -0.88 0.26 0.00 0.92 0.04 -1.22 -1.83 116.94 114.23 2nss h PHE 106 Ca -0.03 0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 2nss h PHE 106 Cb 0.81 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 2nss h PHE 106 CO -0.32 -0.15 -0.54 0.97 -0.60 0.00 0.00 178.31 177.68 2nss h ILE 107 N 0.23 1.38 0.32 -0.55 2.10 -1.16 0.39 117.51 120.22 2nss h ILE 107 Ca 0.46 -1.84 -0.02 0.00 1.08 0.00 0.00 64.86 64.55 2nss h ILE 107 Cb 0.85 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 38.57 2nss h ILE 107 CO -0.58 0.52 -0.16 0.28 -1.08 0.00 0.00 178.15 177.14 2nss h SER 108 N 0.00 -0.37 -0.72 2.19 0.02 -0.96 -0.44 113.55 113.28 2nss h SER 108 Ca -0.01 -0.10 0.14 0.00 -0.84 0.00 0.00 61.79 60.99 2nss h SER 108 Cb 0.95 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.49 2nss h SER 108 CO 0.07 -0.12 0.25 0.44 -1.14 0.00 0.00 176.83 176.33 2nss h ASP 109 N -0.61 0.20 -0.80 3.07 3.32 -1.26 -2.43 116.42 117.91 2nss h ASP 109 Ca -0.04 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.17 2nss h ASP 109 Cb 0.44 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 2nss h ASP 109 CO 0.07 0.07 0.50 0.00 -1.72 0.00 0.00 179.24 178.16 2nss h ALA 110 N 1.54 1.08 -0.22 3.45 0.00 -0.54 -2.37 119.26 122.21 2nss h ALA 110 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2nss h ALA 110 Cb 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2nss h ALA 110 CO -0.41 0.26 0.14 0.82 0.00 0.00 0.00 179.25 180.05 2nss h ILE 111 N 0.93 1.05 -0.50 0.00 2.04 -0.60 -0.39 117.51 120.04 2nss h ILE 111 Ca 0.34 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 2nss h ILE 111 Cb 0.11 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2nss h ILE 111 CO -0.15 0.05 0.31 0.40 0.00 0.00 0.00 178.15 178.77 2nss h ILE 112 N 0.29 1.15 -0.07 -0.67 1.08 -1.43 0.20 117.51 118.06 2nss h ILE 112 Ca 0.08 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2nss h ILE 112 Cb -0.03 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 2nss h ILE 112 CO -0.02 0.15 -0.00 -0.74 -0.69 0.00 0.00 178.15 176.84 2nss h HIS 113 N 0.68 -0.01 -0.68 1.37 2.76 -1.25 -2.75 115.15 115.26 2nss h HIS 113 Ca 0.18 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2nss h HIS 113 Cb -0.03 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 2nss h HIS 113 CO -0.03 -0.01 0.33 0.28 -1.30 0.00 0.00 177.93 177.20 2nss h VAL 114 N 0.02 1.23 -0.34 5.26 2.07 -0.80 -2.20 116.25 121.49 2nss h VAL 114 Ca 0.03 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2nss h VAL 114 Cb 0.04 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 2nss h VAL 114 CO -0.06 0.27 -0.06 -0.07 0.02 0.00 0.00 177.57 177.67 2nss h LEU 115 N 0.95 -0.25 -1.24 2.57 3.38 -0.86 0.12 115.31 119.98 2nss h LEU 115 Ca 0.24 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 2nss h LEU 115 Cb 0.12 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2nss h LEU 115 CO -0.03 -0.09 -0.04 0.45 0.09 0.00 0.00 178.44 178.83 2nss h HIS 116 N 0.03 0.49 0.05 1.13 3.86 -1.30 -1.45 115.15 117.95 2nss h HIS 116 Ca 0.16 -0.05 -0.23 0.00 -1.16 0.00 0.00 60.37 59.09 2nss h HIS 116 Cb 0.24 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2nss h HIS 116 CO -0.29 0.51 -1.03 1.03 0.86 0.00 0.00 177.93 179.02 2nss h SER 117 N 0.45 0.31 1.02 2.45 0.87 -0.68 -1.67 113.55 116.30 2nss h SER 117 Ca 0.10 -0.29 -0.16 0.00 -1.23 0.00 0.00 61.79 60.20 2nss h SER 117 Cb 0.35 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2nss h SER 117 CO 0.01 1.16 -1.05 0.11 -0.53 0.00 0.00 176.83 176.53 2nss h LYS 118 N 0.10 0.00 -2.13 2.24 1.57 -0.77 -3.40 116.57 114.18 2nss h LYS 118 Ca -0.07 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.15 2nss h LYS 118 Cb 1.71 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.61 2nss h LYS 118 CO 0.16 0.47 -0.86 0.72 -0.57 0.00 0.00 179.45 179.37 2nss n HIS 119 N -3.08 2.05 -1.86 -1.35 8.25 -0.55 -5.10 115.22 113.58 2nss n HIS 119 Ca -0.05 -3.90 -0.42 0.00 -0.26 0.00 0.00 57.72 53.09 2nss n HIS 119 Cb 0.83 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 2nss n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2nss s PRO 120 N -2.46 4.03 0.00 -0.41 0.04 -0.63 -1.37 135.00 134.20 2nss s PRO 120 Ca 0.41 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2nss s PRO 120 Cb 0.24 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2nss s PRO 120 CO -0.09 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2nss n GLY 121 N 4.48 0.86 0.00 0.56 0.00 -1.26 -4.86 105.19 104.97 2nss n GLY 121 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2nss n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nss n ASP 122 N 0.00 0.80 -4.34 1.61 8.00 -0.47 -4.84 116.55 117.31 2nss n ASP 122 Ca 0.00 -0.78 -0.47 0.00 0.71 0.00 0.00 54.79 54.26 2nss n ASP 122 Cb 0.00 1.20 -0.02 0.00 -0.02 0.00 0.00 41.12 42.28 2nss n ASP 122 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2nss s PHE 123 N -3.04 3.81 0.72 1.24 5.36 -1.20 -5.05 117.98 119.82 2nss s PHE 123 Ca 0.04 -2.07 -0.16 0.00 -0.96 0.00 0.00 56.93 53.79 2nss s PHE 123 Cb 0.15 -3.84 -0.03 0.00 -0.34 0.00 0.00 43.02 38.96 2nss s PHE 123 CO 0.85 -1.00 0.66 0.41 -1.46 0.00 0.00 175.22 174.68 2nss n GLY 124 N 3.85 -1.20 0.37 13.12 0.00 -1.26 -4.71 105.19 115.36 2nss n GLY 124 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 2nss n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nss h ALA 125 N -0.33 1.36 -0.52 4.61 0.00 -1.99 0.14 119.26 122.53 2nss h ALA 125 Ca -0.46 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2nss h ALA 125 Cb 1.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2nss h ALA 125 CO 0.44 0.59 -0.14 0.38 0.00 0.00 0.00 179.25 180.52 2nss h ASP 126 N 1.22 1.02 -0.19 0.00 2.03 -2.00 -2.24 116.42 116.27 2nss h ASP 126 Ca 0.33 -0.36 -0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2nss h ASP 126 Cb -0.14 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.07 2nss h ASP 126 CO -0.07 1.15 0.11 0.00 -1.03 0.00 0.00 179.24 179.40 2nss h ALA 127 N 0.93 0.24 -0.87 4.15 0.00 -1.74 -2.50 119.26 119.47 2nss h ALA 127 Ca 0.13 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2nss h ALA 127 Cb 0.72 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2nss h ALA 127 CO 0.05 -0.24 0.57 0.37 0.00 0.00 0.00 179.25 180.00 2nss h GLN 128 N 0.22 0.92 -0.30 0.00 4.15 -0.72 -2.16 115.11 117.23 2nss h GLN 128 Ca 0.07 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2nss h GLN 128 Cb 0.04 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2nss h GLN 128 CO -0.01 0.61 0.05 0.78 -1.93 0.00 0.00 178.83 178.33 2nss h GLY 129 N 0.95 0.53 0.91 2.39 0.00 -1.21 -1.44 103.07 105.19 2nss h GLY 129 Ca 0.38 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2nss h GLY 129 CO -0.14 0.32 0.10 0.00 0.00 0.00 0.00 176.54 176.82 2nss h ALA 130 N 0.88 0.43 0.09 3.60 0.00 -1.29 -1.58 119.26 121.39 2nss h ALA 130 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nss h ALA 130 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2nss h ALA 130 CO 0.00 0.07 -0.04 1.98 0.00 0.00 0.00 179.25 181.26 2nss h MET 131 N 0.38 -0.11 -0.33 0.00 -1.53 -1.39 0.10 114.93 112.05 2nss h MET 131 Ca 0.11 0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.45 2nss h MET 131 Cb 0.25 0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 31.25 2nss h MET 131 CO -0.00 0.05 -0.21 1.15 0.14 0.00 0.00 176.91 178.03 2nss h THR 132 N -0.26 0.41 -0.70 -0.77 2.02 -1.25 0.21 112.91 112.58 2nss h THR 132 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 2nss h THR 132 Cb 0.21 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2nss h THR 132 CO 0.02 0.00 0.44 0.11 0.37 0.00 0.00 175.52 176.46 2nss h LYS 133 N -0.18 0.85 -0.70 6.66 1.57 -1.11 0.75 116.57 124.41 2nss h LYS 133 Ca 0.17 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2nss h LYS 133 Cb 0.43 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2nss h LYS 133 CO -0.43 0.56 0.39 0.00 -0.57 0.00 0.00 179.45 179.40 2nss h ALA 134 N 1.29 0.95 -0.17 3.86 0.00 -0.08 0.82 119.26 125.93 2nss h ALA 134 Ca 0.28 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2nss h ALA 134 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nss h ALA 134 CO -0.10 0.06 -0.52 -0.07 0.00 0.00 0.00 179.25 178.61 2nss h LEU 135 N 0.71 0.53 -0.26 0.00 3.38 0.05 -2.73 115.31 116.98 2nss h LEU 135 Ca 0.32 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2nss h LEU 135 Cb 0.22 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2nss h LEU 135 CO -0.20 0.95 -0.41 -0.33 0.09 0.00 0.00 178.44 178.55 2nss h GLU 136 N 0.37 0.73 -0.55 1.13 5.08 -0.66 -2.03 114.58 118.66 2nss h GLU 136 Ca 0.01 -0.44 0.11 0.00 -1.00 0.00 0.00 59.36 58.04 2nss h GLU 136 Cb 1.04 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 2nss h GLU 136 CO 0.09 1.07 -0.03 1.25 -1.00 0.00 0.00 179.01 180.39 2nss h LEU 137 N 0.47 -0.30 0.38 1.33 5.85 -0.78 0.13 115.31 122.40 2nss h LEU 137 Ca 0.02 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2nss h LEU 137 Cb 1.01 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2nss h LEU 137 CO 0.09 -0.11 -0.28 0.15 -0.34 0.00 0.00 178.44 177.95 2nss h PHE 138 N 0.09 -0.75 -0.98 1.25 3.57 -1.43 -1.29 116.94 117.40 2nss h PHE 138 Ca 0.28 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.88 2nss h PHE 138 Cb 0.43 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 2nss h PHE 138 CO -0.36 -0.42 0.63 -0.09 -2.23 0.00 0.00 178.31 175.83 2nss h ARG 139 N -0.66 0.99 -0.64 1.11 2.43 -1.22 -0.61 114.38 115.77 2nss h ARG 139 Ca -0.03 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 2nss h ARG 139 Cb 0.56 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2nss h ARG 139 CO 0.01 0.65 0.08 -0.97 -1.51 0.00 0.00 179.97 178.23 2nss h ASN 140 N 1.02 1.03 0.48 -3.80 -1.24 -0.34 -0.61 115.58 112.12 2nss h ASN 140 Ca 0.47 -0.27 -0.17 0.00 0.71 0.00 0.00 56.30 57.04 2nss h ASN 140 Cb 0.40 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 2nss h ASN 140 CO -0.22 1.04 -0.72 0.44 -1.29 0.00 0.00 177.43 176.68 2nss h ASP 141 N 0.99 0.24 -0.61 1.15 3.32 -0.95 -2.79 116.42 117.78 2nss h ASP 141 Ca 0.19 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2nss h ASP 141 Cb 0.46 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2nss h ASP 141 CO 0.02 0.89 0.34 0.40 -1.72 0.00 0.00 179.24 179.16 2nss h ILE 142 N 0.14 1.20 -0.31 0.35 2.04 -0.91 -3.01 117.51 117.00 2nss h ILE 142 Ca -0.02 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2nss h ILE 142 Cb 1.28 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2nss h ILE 142 CO 0.11 0.21 0.20 0.00 0.00 0.00 0.00 178.15 178.68 2nss h ALA 143 N 1.16 1.77 -0.30 1.87 0.00 -0.94 0.17 119.26 122.98 2nss h ALA 143 Ca 0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2nss h ALA 143 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2nss h ALA 143 CO -0.03 0.21 -0.40 0.00 0.00 0.00 0.00 179.25 179.03 2nss h ALA 144 N 1.80 0.46 -0.27 0.00 0.00 -1.37 -0.89 119.26 118.98 2nss h ALA 144 Ca 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2nss h ALA 144 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nss h ALA 144 CO -0.02 0.56 0.06 0.87 0.00 0.00 0.00 179.25 180.72 2nss h LYS 145 N 0.57 0.44 -0.77 0.00 1.79 -1.27 -2.24 116.57 115.09 2nss h LYS 145 Ca 0.04 -0.11 0.10 0.00 -2.18 0.00 0.00 60.65 58.49 2nss h LYS 145 Cb 1.00 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.52 2nss h LYS 145 CO 0.09 0.54 0.41 1.88 -1.08 0.00 0.00 179.45 181.29 2nss h TYR 146 N 0.26 0.74 -0.73 -1.35 -1.99 -0.63 -2.44 116.97 110.83 2nss h TYR 146 Ca 0.08 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 2nss h TYR 146 Cb 0.30 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 2nss h TYR 146 CO 0.02 0.29 0.27 -0.22 -0.00 0.00 0.00 178.16 178.51 2nss h LYS 147 N 0.69 1.11 -0.65 4.88 3.64 -1.11 -0.86 116.57 124.27 2nss h LYS 147 Ca 0.38 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2nss h LYS 147 Cb 0.37 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2nss h LYS 147 CO -0.26 0.93 0.43 1.49 -2.27 0.00 0.00 179.45 179.77 2nss h GLU 148 N 1.06 0.61 -0.15 1.90 4.81 -0.99 -1.33 114.58 120.50 2nss h GLU 148 Ca 0.24 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2nss h GLU 148 Cb 0.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2nss h GLU 148 CO -0.01 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.95 2nss n LEU 149 N -4.48 2.45 -3.09 1.64 4.77 -0.96 -4.95 117.00 112.38 2nss n LEU 149 Ca 0.09 -0.94 -0.23 0.00 -0.03 0.00 0.00 56.01 54.91 2nss n LEU 149 Cb 0.25 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2nss n LEU 149 CO 0.34 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2nss n GLY 150 N 1.30 -0.52 3.64 -0.72 0.00 -0.50 -4.92 105.19 103.46 2nss n GLY 150 Ca 0.17 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 2nss n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nss s PHE 151 N -3.15 3.12 -0.74 1.61 5.36 -0.42 -5.03 117.98 118.73 2nss s PHE 151 Ca 0.33 1.21 0.06 0.00 -0.96 0.00 0.00 56.93 57.56 2nss s PHE 151 Cb -0.15 -3.61 0.05 0.00 -0.34 0.00 0.00 43.02 38.97 2nss s PHE 151 CO 0.40 -0.87 0.69 1.04 -1.46 0.00 0.00 175.22 175.02