#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otg s HIS 3 N 0.00 2.63 -0.39 0.54 3.76 -0.60 -1.46 115.29 119.78 1otg s HIS 3 Ca 0.00 -1.56 -0.06 0.00 -0.15 0.00 0.00 55.06 53.29 1otg s HIS 3 Cb 0.00 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.94 1otg s HIS 3 CO 0.00 -0.78 0.19 0.12 -0.85 0.00 0.00 174.74 173.42 1otg s PHE 4 N 1.34 3.41 -0.19 1.40 5.36 0.13 -0.17 117.98 129.26 1otg s PHE 4 Ca 0.04 -1.90 -0.05 0.00 -0.96 0.00 0.00 56.93 54.07 1otg s PHE 4 Cb -0.13 -2.88 -0.02 0.00 -0.34 0.00 0.00 43.02 39.64 1otg s PHE 4 CO -0.12 -0.88 -0.02 0.42 -1.46 0.00 0.00 175.22 173.16 1otg s ILE 5 N 1.29 3.85 0.03 3.12 1.01 -0.35 -1.26 121.20 128.89 1otg s ILE 5 Ca 0.03 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1otg s ILE 5 Cb -0.22 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1otg s ILE 5 CO -0.01 0.44 -0.15 -0.69 0.00 0.00 0.00 174.94 174.54 1otg s VAL 6 N 0.92 3.05 -0.16 2.92 1.01 -0.30 -0.83 120.40 127.01 1otg s VAL 6 Ca 0.01 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1otg s VAL 6 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1otg s VAL 6 CO 0.02 0.35 -0.19 -1.61 0.00 0.00 0.00 175.10 173.67 1otg s GLU 7 N -1.45 3.08 -0.07 2.72 2.02 -0.20 0.16 118.70 124.95 1otg s GLU 7 Ca 0.16 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.36 1otg s GLU 7 Cb -0.11 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.57 1otg s GLU 7 CO 0.06 -0.09 -0.13 0.00 0.02 0.00 0.00 175.26 175.12 1otg s SER 9 N 0.62 6.81 0.00 0.00 1.04 -1.11 -1.32 113.70 119.74 1otg s SER 9 Ca -0.15 2.63 0.17 0.00 0.48 0.00 0.00 55.95 59.08 1otg s SER 9 Cb -0.16 -2.64 1.02 0.00 0.10 0.00 0.00 66.02 64.34 1otg s SER 9 CO 0.04 -0.52 1.58 -0.90 0.98 0.00 0.00 173.24 174.42 1otg n ASP 10 N 1.20 0.00 0.18 7.02 5.68 -0.47 -3.00 116.55 127.16 1otg n ASP 10 Ca 0.01 -1.25 0.14 0.00 -0.50 0.00 0.00 54.79 53.19 1otg n ASP 10 Cb 0.42 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.94 1otg n ASP 10 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1otg h ASN 11 N 0.00 0.00 0.00 -1.12 -1.07 -1.91 -2.69 115.58 108.79 1otg h ASN 11 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1otg h ASN 11 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1otg h ASN 11 CO 0.00 0.00 -0.09 2.30 0.07 0.00 0.00 177.43 179.71 1otg n ILE 12 N -2.57 1.90 -0.24 6.14 -5.35 -1.16 -4.84 119.36 113.23 1otg n ILE 12 Ca 0.02 -2.38 0.03 0.00 -0.27 0.00 0.00 62.75 60.16 1otg n ILE 12 Cb 0.28 -0.22 0.13 0.00 -1.74 0.00 0.00 39.64 38.09 1otg n ILE 12 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1otg h ARG 13 N 0.16 0.08 0.08 6.28 2.43 -1.60 0.79 114.38 122.61 1otg h ARG 13 Ca -0.00 -0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 1otg h ARG 13 Cb 1.01 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1otg h ARG 13 CO 0.00 0.05 -1.52 0.93 -1.51 0.00 0.00 179.97 177.92 1otg h GLU 14 N 0.09 0.18 -0.31 0.20 4.39 -1.88 -3.35 114.58 113.89 1otg h GLU 14 Ca 0.38 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1otg h GLU 14 Cb 0.65 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1otg h GLU 14 CO -0.65 1.00 -0.08 0.93 -1.16 0.00 0.00 179.01 179.05 1otg h GLU 15 N 0.05 0.51 0.00 2.33 3.07 -1.87 -3.16 114.58 115.51 1otg h GLU 15 Ca -0.23 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 1otg h GLU 15 Cb 1.99 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.83 1otg h GLU 15 CO 0.14 0.60 -0.04 0.00 -1.40 0.00 0.00 179.01 178.30 1otg h ALA 16 N 1.44 1.83 -6.48 3.43 0.00 -0.98 -3.48 119.26 115.03 1otg h ALA 16 Ca 0.09 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.55 1otg h ALA 16 Cb 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1otg h ALA 16 CO 0.02 0.06 -0.88 -3.47 0.00 0.00 0.00 179.25 174.98 1otg n ASP 17 N -4.35 -5.32 -0.16 0.00 2.03 -1.20 -4.75 116.55 102.79 1otg n ASP 17 Ca -0.03 -0.86 -0.11 0.00 0.52 0.00 0.00 54.79 54.31 1otg n ASP 17 Cb 0.13 -2.48 -0.00 0.00 -0.72 0.00 0.00 41.12 38.05 1otg n ASP 17 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1otg h LEU 18 N -0.63 0.92 -1.66 -2.67 3.38 -1.91 -1.07 115.31 111.68 1otg h LEU 18 Ca -0.54 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.11 1otg h LEU 18 Cb 1.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1otg h LEU 18 CO 0.39 1.06 0.29 -0.65 0.09 0.00 0.00 178.44 179.62 1otg h PRO 19 N 0.77 0.43 -0.10 1.13 0.11 -1.99 0.26 132.00 132.61 1otg h PRO 19 Ca 0.12 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1otg h PRO 19 Cb 0.65 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1otg h PRO 19 CO 0.04 0.28 -0.33 0.78 -0.21 0.00 0.00 178.00 178.57 1otg h GLY 20 N 0.44 0.44 1.01 -0.55 0.00 -1.74 0.38 103.07 103.05 1otg h GLY 20 Ca 0.18 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1otg h GLY 20 CO -0.04 0.52 0.19 -2.00 0.00 0.00 0.00 176.54 175.21 1otg h LEU 21 N -0.04 0.87 -0.92 3.11 6.46 0.09 -2.88 115.31 122.00 1otg h LEU 21 Ca -0.01 -0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.48 1otg h LEU 21 Cb 0.95 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1otg h LEU 21 CO 0.07 0.84 0.12 -0.26 -0.62 0.00 0.00 178.44 178.60 1otg h PHE 22 N 0.86 0.96 -0.73 1.25 0.04 -0.50 0.16 116.94 118.98 1otg h PHE 22 Ca 0.20 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.93 1otg h PHE 22 Cb 0.28 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 1otg h PHE 22 CO 0.02 0.80 0.48 0.00 -0.60 0.00 0.00 178.31 179.01 1otg h ALA 23 N 1.26 1.70 0.03 2.45 0.00 -0.70 -1.84 119.26 122.15 1otg h ALA 23 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1otg h ALA 23 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1otg h ALA 23 CO 0.00 0.19 -0.66 0.87 0.00 0.00 0.00 179.25 179.65 1otg h LYS 24 N 0.76 0.06 -0.55 0.00 1.57 -1.31 -3.39 116.57 113.69 1otg h LYS 24 Ca 0.31 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1otg h LYS 24 Cb 0.25 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1otg h LYS 24 CO -0.10 1.05 0.17 0.28 -0.57 0.00 0.00 179.45 180.27 1otg h VAL 25 N -0.86 0.76 0.31 0.50 2.07 -0.59 -2.34 116.25 116.10 1otg h VAL 25 Ca -0.17 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1otg h VAL 25 Cb 1.25 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1otg h VAL 25 CO -0.05 0.06 -0.20 0.78 0.02 0.00 0.00 177.57 178.18 1otg h ASN 26 N 0.33 -0.50 0.06 0.57 4.21 -1.54 -1.91 115.58 116.80 1otg h ASN 26 Ca 0.28 0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.76 1otg h ASN 26 Cb 0.35 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1otg h ASN 26 CO -0.31 -0.32 -0.18 1.55 -1.29 0.00 0.00 177.43 176.88 1otg h PRO 27 N -0.50 0.24 0.00 0.81 0.14 -1.75 -2.03 132.00 128.92 1otg h PRO 27 Ca -0.03 -0.07 -0.12 0.00 0.14 0.00 0.00 66.00 65.93 1otg h PRO 27 Cb 0.42 -0.03 -0.02 0.00 0.14 0.00 0.00 31.00 31.51 1otg h PRO 27 CO 0.02 0.43 -0.56 0.00 0.14 0.00 0.00 178.00 178.03 1otg h THR 28 N 0.23 1.31 -0.15 1.56 1.03 -1.12 0.79 112.91 116.55 1otg h THR 28 Ca 0.04 -1.97 -0.06 0.00 -0.01 0.00 0.00 66.41 64.42 1otg h THR 28 Cb 0.46 2.09 -0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1otg h THR 28 CO 0.03 0.55 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.89 1otg h LEU 29 N 0.00 0.37 -0.45 0.00 3.38 -1.09 -3.19 115.31 114.32 1otg h LEU 29 Ca -0.01 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1otg h LEU 29 Cb 1.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1otg h LEU 29 CO 0.07 0.75 0.22 0.00 0.09 0.00 0.00 178.44 179.57 1otg h ALA 30 N 0.63 0.58 0.00 1.53 0.00 -1.24 -3.18 119.26 117.58 1otg h ALA 30 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1otg h ALA 30 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1otg h ALA 30 CO 0.03 0.14 0.05 0.00 0.00 0.00 0.00 179.25 179.48 1otg n ALA 31 N -2.29 0.95 0.17 0.00 0.00 0.26 -1.84 120.51 117.75 1otg n ALA 31 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.59 1otg n ALA 31 Cb 0.11 -1.10 0.29 0.00 0.00 0.00 0.00 19.45 18.75 1otg n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1otg h THR 32 N 0.00 1.17 0.00 0.00 2.02 -1.65 -3.47 112.91 110.97 1otg h THR 32 Ca 0.00 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1otg h THR 32 Cb 0.10 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1otg h THR 32 CO 0.00 0.46 0.00 0.61 0.37 0.00 0.00 175.52 176.96 1otg n GLY 33 N 0.08 1.63 0.08 2.16 0.00 -0.76 -4.87 105.19 103.50 1otg n GLY 33 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1otg n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1otg n ILE 34 N -2.00 1.21 -4.07 -0.61 5.41 -1.26 -4.87 119.36 113.17 1otg n ILE 34 Ca 0.00 -0.74 -0.32 0.00 1.00 0.00 0.00 62.75 62.69 1otg n ILE 34 Cb 0.00 -0.65 -0.15 0.00 -0.71 0.00 0.00 39.64 38.13 1otg n ILE 34 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1otg s PHE 35 N -2.79 3.05 0.28 1.39 0.08 -1.26 -5.09 117.98 113.64 1otg s PHE 35 Ca -0.06 -2.08 -0.30 0.00 0.12 0.00 0.00 56.93 54.61 1otg s PHE 35 Cb 0.08 -1.89 -0.11 0.00 -0.57 0.00 0.00 43.02 40.53 1otg s PHE 35 CO 0.83 -0.85 1.54 -2.14 -0.10 0.00 0.00 175.22 174.50 1otg s PRO 36 N 1.18 4.17 0.20 0.24 0.02 -1.26 -4.02 135.00 135.53 1otg s PRO 36 Ca -0.05 2.49 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 1otg s PRO 36 Cb -0.18 -3.05 0.13 0.00 0.02 0.00 0.00 34.50 31.43 1otg s PRO 36 CO -0.07 -0.55 1.86 1.25 -0.33 0.00 0.00 177.00 179.15 1otg h LEU 37 N 4.80 0.73 -2.40 -5.54 5.85 -1.95 -2.80 115.31 114.01 1otg h LEU 37 Ca -0.47 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1otg h LEU 37 Cb 1.22 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1otg h LEU 37 CO 0.78 0.52 0.04 0.00 -0.34 0.00 0.00 178.44 179.44 1otg h ALA 38 N 1.25 1.60 -0.00 1.25 0.00 -1.92 -2.48 119.26 118.96 1otg h ALA 38 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1otg h ALA 38 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1otg h ALA 38 CO -0.07 -0.06 -0.37 0.41 0.00 0.00 0.00 179.25 179.17 1otg n GLY 39 N -1.35 -0.97 3.63 0.00 0.00 -1.06 -4.78 105.19 100.66 1otg n GLY 39 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1otg n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1otg s ILE 40 N -2.76 4.78 -0.25 -0.61 1.01 -0.94 -2.07 121.20 120.36 1otg s ILE 40 Ca 0.18 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.34 1otg s ILE 40 Cb 0.18 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1otg s ILE 40 CO 0.61 -0.17 -0.10 -0.13 0.00 0.00 0.00 174.94 175.14 1otg s ARG 41 N 2.98 2.12 -0.12 2.79 0.52 -0.53 -4.96 118.95 121.74 1otg s ARG 41 Ca 0.36 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1otg s ARG 41 Cb -0.15 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 1otg s ARG 41 CO 0.10 -0.56 -0.05 -1.12 0.02 0.00 0.00 175.30 173.69 1otg s SER 42 N 1.18 4.72 0.12 0.23 0.01 -1.26 -0.69 113.70 118.01 1otg s SER 42 Ca -0.08 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 1otg s SER 42 Cb -0.19 -1.57 0.07 0.00 0.21 0.00 0.00 66.02 64.53 1otg s SER 42 CO -0.06 0.24 0.60 0.00 0.41 0.00 0.00 173.24 174.44 1otg s ARG 43 N -0.07 1.23 0.02 12.44 3.03 -0.39 -4.98 118.95 130.23 1otg s ARG 43 Ca 0.01 -0.35 0.08 0.00 2.03 0.00 0.00 55.73 57.50 1otg s ARG 43 Cb -0.13 0.57 -0.02 0.00 -1.03 0.00 0.00 34.95 34.33 1otg s ARG 43 CO 0.03 -0.51 -0.24 0.54 -1.13 0.00 0.00 175.30 173.99 1otg s VAL 44 N -3.28 1.89 -0.35 4.99 0.11 -1.26 -1.14 120.40 121.35 1otg s VAL 44 Ca -0.01 -1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 57.80 1otg s VAL 44 Cb -0.01 -1.60 0.05 0.00 -1.53 0.00 0.00 36.38 33.29 1otg s VAL 44 CO -0.09 0.39 0.13 -1.00 -3.33 0.00 0.00 175.10 171.20 1otg s HIS 45 N -0.69 3.28 0.29 1.54 3.76 0.12 -4.95 115.29 118.65 1otg s HIS 45 Ca 0.09 -1.50 -0.29 0.00 -0.15 0.00 0.00 55.06 53.22 1otg s HIS 45 Cb -0.09 -2.41 -0.09 0.00 1.11 0.00 0.00 32.58 31.09 1otg s HIS 45 CO 0.01 -0.76 1.08 -1.58 -0.85 0.00 0.00 174.74 172.64 1otg s TRP 46 N 1.39 3.58 -0.15 1.40 0.52 -1.26 -1.62 118.94 122.80 1otg s TRP 46 Ca -0.01 1.72 -0.01 0.00 0.02 0.00 0.00 56.10 57.82 1otg s TRP 46 Cb -0.20 -3.23 -0.01 0.00 -1.15 0.00 0.00 33.47 28.87 1otg s TRP 46 CO 0.02 -0.46 -0.11 0.08 0.02 0.00 0.00 176.95 176.50 1otg s VAL 47 N -1.23 3.13 -1.20 4.03 1.01 -0.44 -4.90 120.40 120.81 1otg s VAL 47 Ca 0.46 -0.62 0.15 0.00 0.00 0.00 0.00 61.98 61.97 1otg s VAL 47 Cb -0.30 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1otg s VAL 47 CO 0.38 0.50 0.77 -0.90 0.00 0.00 0.00 175.10 175.85 1otg n ASP 48 N 3.81 1.32 -3.65 3.32 5.68 -1.26 -1.37 116.55 124.39 1otg n ASP 48 Ca -0.18 -1.16 -0.20 0.00 -0.50 0.00 0.00 54.79 52.75 1otg n ASP 48 Cb 0.52 0.62 -0.17 0.00 -1.14 0.00 0.00 41.12 40.95 1otg n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1otg s THR 49 N -1.98 -0.15 0.30 2.12 2.01 -1.26 -4.98 115.64 111.70 1otg s THR 49 Ca 0.11 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.24 1otg s THR 49 Cb 0.12 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.38 1otg s THR 49 CO 0.44 0.08 0.65 -1.66 -0.69 0.00 0.00 174.62 173.44 1otg s TRP 50 N 2.20 0.16 -0.19 4.92 -2.14 -1.26 -5.15 118.94 117.48 1otg s TRP 50 Ca 0.04 -0.62 -0.05 0.00 2.66 0.00 0.00 56.10 58.13 1otg s TRP 50 Cb -0.13 0.53 0.09 0.00 -3.10 0.00 0.00 33.47 30.86 1otg s TRP 50 CO -0.05 -1.25 0.36 -1.14 -2.66 0.00 0.00 176.95 172.21 1otg s GLN 51 N -3.45 0.27 -0.08 3.25 0.74 -1.26 -5.08 119.66 114.05 1otg s GLN 51 Ca 0.17 0.79 -0.02 0.00 0.05 0.00 0.00 55.36 56.35 1otg s GLN 51 Cb -0.04 -0.05 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 1otg s GLN 51 CO 0.10 -0.38 0.04 1.41 -0.55 0.00 0.00 175.29 175.91 1otg s MET 52 N 2.53 3.07 4.97 1.67 -2.45 -1.26 -4.94 119.30 122.89 1otg s MET 52 Ca 0.03 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 1otg s MET 52 Cb -0.13 -2.87 0.00 0.00 1.25 0.00 0.00 34.83 33.08 1otg s MET 52 CO -0.12 0.71 0.00 0.00 1.05 0.00 0.00 175.02 176.66 1otg n ALA 53 N 1.97 0.00 1.03 4.11 0.00 -1.26 -0.18 120.51 126.18 1otg n ALA 53 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1otg n ALA 53 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 1otg n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1otg n ASP 54 N 8.29 1.86 0.00 0.00 5.75 -1.26 -4.96 116.55 126.23 1otg n ASP 54 Ca 0.00 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 1otg n ASP 54 Cb 0.00 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1otg n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1otg n GLY 55 N 1.42 0.20 0.22 6.12 0.00 0.75 -4.85 105.19 109.04 1otg n GLY 55 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1otg n GLY 55 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1otg h GLN 56 N 0.52 0.00 0.00 1.61 1.08 -1.93 -3.46 115.11 112.93 1otg h GLN 56 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1otg h GLN 56 Cb 0.39 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.70 1otg h GLN 56 CO 0.00 0.26 -0.44 0.72 -0.95 0.00 0.00 178.83 178.42 1otg n HIS 57 N -3.91 0.22 -2.15 2.96 8.25 -1.26 -5.05 115.22 114.27 1otg n HIS 57 Ca -0.02 -2.45 -0.42 0.00 -0.26 0.00 0.00 57.72 54.57 1otg n HIS 57 Cb 0.34 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1otg n HIS 57 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1otg n ASP 58 N -1.53 4.40 -4.85 0.41 2.03 -1.26 -4.99 116.55 110.76 1otg n ASP 58 Ca -0.07 -2.88 -0.32 0.00 0.52 0.00 0.00 54.79 52.04 1otg n ASP 58 Cb 0.58 -1.70 -0.05 0.00 -0.72 0.00 0.00 41.12 39.23 1otg n ASP 58 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1otg s TYR 59 N 3.66 3.41 0.11 -0.67 2.02 -1.26 -4.50 117.35 120.12 1otg s TYR 59 Ca 0.50 1.29 0.04 0.00 -0.37 0.00 0.00 57.07 58.54 1otg s TYR 59 Cb 0.09 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1otg s TYR 59 CO -0.01 -0.11 -0.11 0.00 -1.57 0.00 0.00 175.55 173.75 1otg s ALA 60 N -2.29 1.24 -0.04 3.71 0.00 -0.99 -4.97 121.76 118.41 1otg s ALA 60 Ca 0.56 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1otg s ALA 60 Cb -0.10 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1otg s ALA 60 CO 0.24 -0.00 0.28 -0.59 0.00 0.00 0.00 175.76 175.69 1otg s PHE 61 N -2.42 -0.20 -0.11 0.00 -0.71 -1.26 -2.42 117.98 110.86 1otg s PHE 61 Ca 0.07 0.39 -0.01 0.00 -1.04 0.00 0.00 56.93 56.34 1otg s PHE 61 Cb -0.03 0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1otg s PHE 61 CO 0.01 -0.30 -0.07 0.08 -1.34 0.00 0.00 175.22 173.60 1otg s VAL 62 N -0.86 0.94 -0.12 -2.49 1.01 0.69 -2.73 120.40 116.84 1otg s VAL 62 Ca -0.09 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1otg s VAL 62 Cb -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1otg s VAL 62 CO 0.03 0.35 -0.21 -2.28 0.00 0.00 0.00 175.10 172.99 1otg s HIS 63 N 1.74 2.64 -0.05 5.22 5.04 -0.80 -1.78 115.29 127.31 1otg s HIS 63 Ca 0.05 -1.07 0.05 0.00 -1.54 0.00 0.00 55.06 52.55 1otg s HIS 63 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 32.58 30.71 1otg s HIS 63 CO -0.08 -0.45 -0.21 -1.64 -2.34 0.00 0.00 174.74 170.02 1otg s MET 64 N 0.51 2.17 -0.09 2.88 -1.94 -0.55 -1.04 119.30 121.25 1otg s MET 64 Ca -0.13 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1otg s MET 64 Cb -0.17 -1.87 0.01 0.00 2.01 0.00 0.00 34.83 34.81 1otg s MET 64 CO 0.05 0.33 -0.18 0.99 -0.01 0.00 0.00 175.02 176.20 1otg s THR 65 N -0.10 1.57 -0.30 2.05 2.01 -0.01 -1.65 115.64 119.21 1otg s THR 65 Ca -0.03 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 1otg s THR 65 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1otg s THR 65 CO 0.03 0.45 0.16 -0.22 -0.69 0.00 0.00 174.62 174.35 1otg s LEU 66 N 0.57 4.04 -0.20 4.42 2.96 -0.41 -1.22 118.68 128.85 1otg s LEU 66 Ca -0.15 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 1otg s LEU 66 Cb -0.17 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1otg s LEU 66 CO 0.05 -0.15 0.02 -0.54 -1.32 0.00 0.00 176.35 174.41 1otg s LYS 67 N 1.66 3.71 0.20 1.98 -0.14 0.76 -1.09 119.74 126.81 1otg s LYS 67 Ca 0.06 -0.48 0.07 0.00 -1.36 0.00 0.00 55.97 54.26 1otg s LYS 67 Cb -0.17 -3.11 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 1otg s LYS 67 CO 0.07 0.08 -0.13 0.96 -0.76 0.00 0.00 175.35 175.57 1otg s ILE 68 N 0.85 1.62 0.50 2.17 -4.36 0.16 -1.55 121.20 120.59 1otg s ILE 68 Ca 0.01 -2.18 -0.22 0.00 -0.26 0.00 0.00 60.65 58.00 1otg s ILE 68 Cb -0.14 -2.04 -0.06 0.00 1.25 0.00 0.00 42.46 41.46 1otg s ILE 68 CO 0.02 -0.60 1.24 -0.83 0.24 0.00 0.00 174.94 175.01 1otg s GLY 69 N -3.30 2.82 1.01 6.27 0.00 -1.26 -1.44 107.32 111.42 1otg s GLY 69 Ca 0.22 1.09 -0.12 0.00 0.00 0.00 0.00 44.72 45.91 1otg s GLY 69 CO 0.06 1.57 1.08 0.00 0.00 0.00 0.00 173.10 175.80 1otg s ALA 70 N -1.46 0.73 0.00 3.20 0.00 -1.25 -4.49 121.76 118.49 1otg s ALA 70 Ca 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1otg s ALA 70 Cb -0.33 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1otg s ALA 70 CO 0.39 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.55 1otg n GLY 71 N -0.31 0.16 3.75 0.00 0.00 -1.26 -5.03 105.19 102.51 1otg n GLY 71 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1otg n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otg s ARG 72 N -0.96 4.82 0.76 1.61 0.52 -1.26 -5.03 118.95 119.40 1otg s ARG 72 Ca 0.00 1.47 -0.15 0.00 -0.52 0.00 0.00 55.73 56.53 1otg s ARG 72 Cb 0.00 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.28 1otg s ARG 72 CO 0.00 0.48 0.94 -1.13 0.02 0.00 0.00 175.30 175.61 1otg n SER 73 N 1.35 0.25 -0.14 0.23 3.41 -1.26 -4.81 113.62 112.65 1otg n SER 73 Ca -0.01 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.16 1otg n SER 73 Cb 0.47 -1.40 0.14 0.00 -0.26 0.00 0.00 64.21 63.17 1otg n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1otg h LEU 74 N -0.50 0.83 -0.59 1.04 5.85 -1.99 -2.03 115.31 117.92 1otg h LEU 74 Ca -0.47 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 1otg h LEU 74 Cb 1.32 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1otg h LEU 74 CO 0.45 0.87 0.26 -0.08 -0.34 0.00 0.00 178.44 179.60 1otg h GLU 75 N 0.81 0.86 -0.61 1.25 4.81 -1.99 0.55 114.58 120.26 1otg h GLU 75 Ca 0.16 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1otg h GLU 75 Cb 0.43 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1otg h GLU 75 CO 0.02 0.71 0.06 0.77 -0.73 0.00 0.00 179.01 179.84 1otg h SER 76 N 0.80 0.98 -0.47 1.04 0.02 -1.84 -1.62 113.55 112.45 1otg h SER 76 Ca 0.20 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 1otg h SER 76 Cb 0.16 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1otg h SER 76 CO -0.02 1.00 0.00 0.03 -1.14 0.00 0.00 176.83 176.70 1otg h ARG 77 N 0.95 0.89 -0.54 3.45 3.08 -0.71 -0.25 114.38 121.25 1otg h ARG 77 Ca 0.18 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1otg h ARG 77 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1otg h ARG 77 CO 0.02 0.89 0.24 0.37 -1.07 0.00 0.00 179.97 180.42 1otg h GLN 78 N 0.83 0.78 -0.04 0.04 5.75 0.37 -0.62 115.11 122.22 1otg h GLN 78 Ca 0.16 -0.12 -0.19 0.00 -0.15 0.00 0.00 58.65 58.34 1otg h GLN 78 Cb 0.49 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1otg h GLN 78 CO 0.02 0.66 -0.79 -0.56 -2.65 0.00 0.00 178.83 175.52 1otg h GLN 79 N 0.72 0.32 -0.43 1.69 3.07 -1.05 -0.69 115.11 118.74 1otg h GLN 79 Ca 0.18 -0.29 -0.13 0.00 0.09 0.00 0.00 58.65 58.51 1otg h GLN 79 Cb 0.15 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 1otg h GLN 79 CO -0.02 0.96 -0.24 0.00 0.09 0.00 0.00 178.83 179.62 1otg h ALA 80 N 0.95 0.76 0.15 0.06 0.00 -0.97 -1.33 119.26 118.89 1otg h ALA 80 Ca -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1otg h ALA 80 Cb 1.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1otg h ALA 80 CO 0.13 0.66 -0.07 0.78 0.00 0.00 0.00 179.25 180.75 1otg h GLY 81 N 0.91 -0.20 0.91 0.00 0.00 -0.90 -2.02 103.07 101.77 1otg h GLY 81 Ca 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1otg h GLY 81 CO 0.07 -0.07 -0.01 0.83 0.00 0.00 0.00 176.54 177.35 1otg h GLU 82 N -0.29 -0.02 -0.49 4.80 5.08 -1.11 0.52 114.58 123.07 1otg h GLU 82 Ca -0.02 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1otg h GLU 82 Cb 0.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1otg h GLU 82 CO 0.03 0.08 0.06 1.98 -1.00 0.00 0.00 179.01 180.16 1otg h MET 83 N -0.11 0.18 -0.03 2.33 4.05 -1.24 -1.46 114.93 118.64 1otg h MET 83 Ca -0.00 -0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.22 1otg h MET 83 Cb 0.11 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1otg h MET 83 CO 0.00 0.12 -0.78 1.25 0.23 0.00 0.00 176.91 177.73 1otg h LEU 84 N 0.19 0.31 -1.17 3.39 5.85 -1.26 -3.03 115.31 119.59 1otg h LEU 84 Ca 0.25 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1otg h LEU 84 Cb 0.34 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1otg h LEU 84 CO -0.35 0.98 -0.18 0.15 -0.34 0.00 0.00 178.44 178.69 1otg h PHE 85 N 0.16 0.38 -0.38 1.25 3.57 -0.53 -1.86 116.94 119.54 1otg h PHE 85 Ca -0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1otg h PHE 85 Cb 1.37 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1otg h PHE 85 CO 0.03 0.52 0.24 0.93 -2.23 0.00 0.00 178.31 177.80 1otg h GLU 86 N 0.33 0.51 -0.15 1.11 4.39 -1.21 -0.74 114.58 118.82 1otg h GLU 86 Ca 0.06 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1otg h GLU 86 Cb 0.51 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1otg h GLU 86 CO 0.03 0.36 -0.32 1.25 -1.16 0.00 0.00 179.01 179.17 1otg h LEU 87 N 0.50 0.31 -0.01 1.33 5.85 -1.36 -2.67 115.31 119.26 1otg h LEU 87 Ca 0.14 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1otg h LEU 87 Cb -0.02 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1otg h LEU 87 CO -0.03 0.62 -0.01 0.40 -0.34 0.00 0.00 178.44 179.09 1otg h ILE 88 N 0.27 1.39 -0.64 4.05 2.04 -0.88 -1.36 117.51 122.37 1otg h ILE 88 Ca 0.03 -1.15 0.12 0.00 1.00 0.00 0.00 64.86 64.86 1otg h ILE 88 Cb 0.71 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.85 1otg h ILE 88 CO 0.05 0.30 0.16 0.11 0.00 0.00 0.00 178.15 178.77 1otg h LYS 89 N -0.46 0.28 -0.69 2.37 1.57 -1.16 -1.07 116.57 117.42 1otg h LYS 89 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1otg h LYS 89 Cb 0.50 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1otg h LYS 89 CO 0.00 0.19 0.20 1.15 -0.57 0.00 0.00 179.45 180.42 1otg h THR 90 N 0.29 1.26 -0.54 -0.16 2.02 -1.42 -1.16 112.91 113.20 1otg h THR 90 Ca 0.34 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1otg h THR 90 Cb 0.51 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1otg h THR 90 CO -0.41 0.35 0.08 -0.74 0.37 0.00 0.00 175.52 175.17 1otg h HIS 91 N 1.02 0.91 -0.55 3.16 -0.00 -0.06 -3.15 115.15 116.48 1otg h HIS 91 Ca 0.22 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1otg h HIS 91 Cb 0.32 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1otg h HIS 91 CO 0.03 0.79 0.00 1.19 -0.00 0.00 0.00 177.93 179.93 1otg n PHE 92 N -4.24 0.80 -0.32 5.26 3.72 -0.56 -4.61 117.46 117.50 1otg n PHE 92 Ca 0.04 -0.52 0.07 0.00 -0.05 0.00 0.00 57.45 56.98 1otg n PHE 92 Cb 0.26 -0.04 0.27 0.00 -0.94 0.00 0.00 39.48 39.03 1otg n PHE 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1otg h ALA 93 N 3.23 1.58 -0.51 4.37 0.00 -1.17 -0.73 119.26 126.03 1otg h ALA 93 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1otg h ALA 93 Cb 0.93 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1otg h ALA 93 CO 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.33 1otg h ALA 94 N 1.54 0.75 -0.13 0.00 0.00 -1.82 -2.30 119.26 117.29 1otg h ALA 94 Ca 0.45 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1otg h ALA 94 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1otg h ALA 94 CO -0.21 0.67 -0.42 -0.07 0.00 0.00 0.00 179.25 179.23 1otg h LEU 95 N 0.87 0.32 -0.93 0.00 3.38 -1.51 -3.05 115.31 114.39 1otg h LEU 95 Ca 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1otg h LEU 95 Cb 0.73 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1otg h LEU 95 CO 0.06 0.70 0.21 0.24 0.09 0.00 0.00 178.44 179.74 1otg h MET 96 N 0.25 0.99 -0.35 1.13 2.86 -0.98 -0.77 114.93 118.06 1otg h MET 96 Ca 0.02 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1otg h MET 96 Cb 0.84 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1otg h MET 96 CO 0.07 0.85 -0.05 1.49 1.06 0.00 0.00 176.91 180.32 1otg h GLU 97 N 0.96 0.65 0.00 1.72 4.57 -1.31 -3.31 114.58 117.85 1otg h GLU 97 Ca 0.21 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1otg h GLU 97 Cb 0.26 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1otg h GLU 97 CO -0.01 0.79 -0.07 1.03 -1.18 0.00 0.00 179.01 179.57 1otg h SER 98 N 0.44 0.00 -5.05 1.04 0.87 -1.45 -3.49 113.55 105.91 1otg h SER 98 Ca 0.09 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1otg h SER 98 Cb 0.53 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1otg h SER 98 CO 0.03 0.00 0.18 0.00 -0.53 0.00 0.00 176.83 176.51 1otg s ARG 99 N -3.18 1.90 -0.10 2.24 1.70 -0.31 -5.07 118.95 116.13 1otg s ARG 99 Ca 0.08 -1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 53.86 1otg s ARG 99 Cb 0.08 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 35.03 1otg s ARG 99 CO 0.65 -0.86 1.11 -0.51 -1.08 0.00 0.00 175.30 174.61 1otg s LEU 100 N -2.99 4.24 -0.09 -1.89 1.02 -1.26 -4.64 118.68 113.07 1otg s LEU 100 Ca 0.15 1.65 -0.12 0.00 0.02 0.00 0.00 54.13 55.83 1otg s LEU 100 Cb -0.05 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.64 1otg s LEU 100 CO 0.09 -0.55 0.31 -0.22 0.02 0.00 0.00 176.35 176.00 1otg s LEU 101 N 2.34 0.83 -0.07 1.79 2.96 -1.26 -2.34 118.68 122.92 1otg s LEU 101 Ca 0.52 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1otg s LEU 101 Cb -0.21 1.13 0.02 0.00 0.50 0.00 0.00 46.19 47.63 1otg s LEU 101 CO 0.18 -0.21 -0.07 0.00 -1.32 0.00 0.00 176.35 174.93 1otg s ALA 102 N -0.30 0.99 -0.13 5.97 0.00 -1.02 -4.98 121.76 122.29 1otg s ALA 102 Ca -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1otg s ALA 102 Cb -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1otg s ALA 102 CO 0.02 -0.13 -0.08 -0.51 0.00 0.00 0.00 175.76 175.06 1otg s LEU 103 N 1.16 3.04 0.02 0.00 1.02 -1.26 -0.22 118.68 122.44 1otg s LEU 103 Ca -0.06 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.91 1otg s LEU 103 Cb -0.14 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 1otg s LEU 103 CO -0.01 0.20 -0.04 -0.94 0.02 0.00 0.00 176.35 175.58 1otg s SER 104 N 0.19 0.36 -0.15 2.29 1.04 -0.73 -4.98 113.70 111.71 1otg s SER 104 Ca -0.04 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 55.99 1otg s SER 104 Cb -0.14 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.07 1otg s SER 104 CO 0.04 -0.15 0.36 0.12 0.98 0.00 0.00 173.24 174.59 1otg s PHE 105 N -0.85 -0.54 0.06 5.02 5.36 -1.26 -1.48 117.98 124.29 1otg s PHE 105 Ca -0.08 1.16 0.03 0.00 -0.96 0.00 0.00 56.93 57.08 1otg s PHE 105 Cb -0.06 0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 42.79 1otg s PHE 105 CO -0.00 -0.33 -0.09 -1.83 -1.46 0.00 0.00 175.22 171.51 1otg s GLU 106 N 1.52 0.64 -0.14 10.12 -1.05 -0.66 -5.00 118.70 124.14 1otg s GLU 106 Ca -0.08 -0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 1otg s GLU 106 Cb -0.09 -0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 33.19 1otg s GLU 106 CO -0.11 0.06 -0.06 0.42 0.95 0.00 0.00 175.26 176.52 1otg s ILE 107 N -1.79 3.75 0.05 1.83 1.01 -1.26 -1.29 121.20 123.50 1otg s ILE 107 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.23 1otg s ILE 107 Cb -0.07 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1otg s ILE 107 CO -0.00 0.52 -0.11 -1.61 0.00 0.00 0.00 174.94 173.74 1otg s GLU 108 N 0.14 0.70 -0.03 2.79 2.02 -0.25 -4.95 118.70 119.12 1otg s GLU 108 Ca -0.02 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 1otg s GLU 108 Cb -0.14 -0.61 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 1otg s GLU 108 CO 0.03 0.14 0.12 -1.21 0.02 0.00 0.00 175.26 174.35 1otg s GLU 109 N -1.46 3.23 0.67 1.61 2.02 -1.26 -0.66 118.70 122.85 1otg s GLU 109 Ca -0.04 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 1otg s GLU 109 Cb -0.09 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1otg s GLU 109 CO 0.01 0.68 1.07 -0.51 0.02 0.00 0.00 175.26 176.53 1otg s LEU 110 N -1.65 3.28 0.44 1.80 1.43 -0.52 -4.88 118.68 118.57 1otg s LEU 110 Ca 0.23 1.80 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 1otg s LEU 110 Cb -0.12 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.48 1otg s LEU 110 CO 0.13 -1.51 1.11 1.57 0.23 0.00 0.00 176.35 177.88 1otg n HIS 111 N -2.72 1.51 0.26 0.29 -0.00 -1.26 -3.95 115.22 109.34 1otg n HIS 111 Ca 0.09 0.53 0.08 0.00 -0.00 0.00 0.00 57.72 58.42 1otg n HIS 111 Cb 0.53 -2.28 0.65 0.00 -0.00 0.00 0.00 29.99 28.89 1otg n HIS 111 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1otg h PRO 112 N 1.64 0.00 0.00 1.57 0.13 -1.96 -3.38 132.00 130.01 1otg h PRO 112 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1otg h PRO 112 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1otg h PRO 112 CO 0.57 0.03 -0.71 0.25 -0.23 0.00 0.00 178.00 177.91 1otg n THR 113 N -4.43 0.00 -1.83 1.56 -2.24 -1.26 -4.90 114.28 101.18 1otg n THR 113 Ca -0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1otg n THR 113 Cb 0.11 -0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 67.64 1otg n THR 113 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1otg n LEU 114 N -1.62 8.19 -3.85 3.22 4.77 -1.26 -4.86 117.00 121.59 1otg n LEU 114 Ca 0.00 -4.75 -0.26 0.00 -0.03 0.00 0.00 56.01 50.96 1otg n LEU 114 Cb 0.36 -1.41 -0.17 0.00 -2.33 0.00 0.00 43.42 39.86 1otg n LEU 114 CO 0.00 2.04 -0.41 0.21 -1.33 0.00 0.00 177.39 177.90 1otg s ASN 115 N 0.84 2.26 0.00 -1.43 3.84 -1.26 -4.72 114.94 114.47 1otg s ASN 115 Ca 0.57 -0.38 0.07 0.00 0.21 0.00 0.00 52.86 53.33 1otg s ASN 115 Cb 0.18 -0.73 -0.02 0.00 -0.55 0.00 0.00 41.25 40.13 1otg s ASN 115 CO -0.08 -0.17 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.49 1otg s PHE 116 N 1.77 1.82 0.08 0.43 0.40 -1.26 -5.15 117.98 116.08 1otg s PHE 116 Ca 0.03 -0.35 -0.18 0.00 -0.60 0.00 0.00 56.93 55.83 1otg s PHE 116 Cb -0.14 -1.15 0.04 0.00 0.51 0.00 0.00 43.02 42.29 1otg s PHE 116 CO -0.07 0.01 0.42 -1.59 0.70 0.00 0.00 175.22 174.68 1otg s LYS 117 N -0.70 1.00 -0.25 0.44 -2.85 -1.26 -5.13 119.74 111.00 1otg s LYS 117 Ca 0.08 -0.52 -0.02 0.00 -1.00 0.00 0.00 55.97 54.51 1otg s LYS 117 Cb -0.08 0.45 0.14 0.00 -2.06 0.00 0.00 37.83 36.27 1otg s LYS 117 CO 0.00 -0.37 0.38 -1.14 0.10 0.00 0.00 175.35 174.32 1otg s GLN 118 N -3.12 0.36 -0.16 1.78 0.74 -1.26 -5.14 119.66 112.85 1otg s GLN 118 Ca -0.01 0.51 -0.02 0.00 0.05 0.00 0.00 55.36 55.89 1otg s GLN 118 Cb 0.00 -0.46 0.05 0.00 1.10 0.00 0.00 33.01 33.71 1otg s GLN 118 CO -0.07 -0.67 0.00 1.21 -0.55 0.00 0.00 175.29 175.21 1otg s ASN 119 N 2.55 2.64 0.00 6.67 3.04 -1.26 -5.01 114.94 123.57 1otg s ASN 119 Ca 0.13 -0.64 0.12 0.00 0.04 0.00 0.00 52.86 52.51 1otg s ASN 119 Cb -0.15 -0.67 0.47 0.00 -1.54 0.00 0.00 41.25 39.36 1otg s ASN 119 CO -0.17 -0.25 1.34 -0.46 -3.04 0.00 0.00 177.10 174.53 1otg n ASN 120 N 5.01 1.15 0.07 -4.21 2.04 -1.26 -4.10 115.26 113.97 1otg n ASN 120 Ca -0.09 -1.84 0.12 0.00 -0.44 0.00 0.00 54.58 52.33 1otg n ASN 120 Cb 0.48 -0.12 0.18 0.00 -2.53 0.00 0.00 39.78 37.79 1otg n ASN 120 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 1otg h VAL 121 N 1.36 0.00 -0.13 3.53 -1.51 -1.95 -3.33 116.25 114.21 1otg h VAL 121 Ca 0.00 -0.55 0.04 0.00 -1.23 0.00 0.00 66.70 64.96 1otg h VAL 121 Cb 0.30 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1otg h VAL 121 CO 0.00 0.00 0.15 0.45 -1.23 0.00 0.00 177.57 176.94 1otg h HIS 122 N 0.00 0.00 -0.91 5.19 3.86 -1.87 -1.87 115.15 119.55 1otg h HIS 122 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1otg h HIS 122 Cb 0.77 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.20 1otg h HIS 122 CO 0.00 0.00 0.51 0.00 0.86 0.00 0.00 177.93 179.30 1otg h ALA 123 N 1.82 1.18 -0.02 2.45 0.00 -1.88 -2.38 119.26 120.42 1otg h ALA 123 Ca 0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1otg h ALA 123 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1otg h ALA 123 CO -0.00 0.66 -0.34 -0.07 0.00 0.00 0.00 179.25 179.50 1otg h LEU 124 N 1.27 0.05 0.00 0.00 4.07 -1.60 -3.41 115.31 115.68 1otg h LEU 124 Ca 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1otg h LEU 124 Cb 0.01 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1otg h LEU 124 CO -0.05 0.38 0.00 0.49 -1.08 0.00 0.00 178.44 178.18 1otg n PHE 125 N -4.12 0.00 -0.77 1.13 3.72 -0.92 -5.17 117.46 111.33 1otg n PHE 125 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1otg n PHE 125 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1otg n PHE 125 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88