#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpi s LEU 1 N 0.00 4.33 0.42 -3.43 1.43 -1.26 -4.92 118.68 115.26 3gpi s LEU 1 Ca 0.00 3.01 -0.26 0.00 -1.03 0.00 0.00 54.13 55.85 3gpi s LEU 1 Cb 0.00 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3gpi s LEU 1 CO 0.00 -0.84 1.43 -0.94 0.23 0.00 0.00 176.35 176.23 3gpi s SER 2 N -0.16 6.06 0.10 2.29 1.04 -1.26 -4.76 113.70 117.01 3gpi s SER 2 Ca 0.53 2.92 -0.27 0.00 0.48 0.00 0.00 55.95 59.60 3gpi s SER 2 Cb -0.46 -2.66 -0.06 0.00 0.10 0.00 0.00 66.02 62.95 3gpi s SER 2 CO 0.61 -1.05 0.86 -0.54 0.98 0.00 0.00 173.24 174.10 3gpi s LYS 3 N -2.33 4.62 -0.08 4.02 1.02 -1.26 -4.12 119.74 121.61 3gpi s LYS 3 Ca 0.58 1.27 0.04 0.00 0.02 0.00 0.00 55.97 57.88 3gpi s LYS 3 Cb -0.44 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 3gpi s LYS 3 CO 0.57 0.31 -0.20 0.42 -0.92 0.00 0.00 175.35 175.53 3gpi s ILE 4 N -0.25 1.74 -0.20 2.17 -1.09 0.06 -0.87 121.20 122.75 3gpi s ILE 4 Ca 0.42 -0.85 -0.05 0.00 -2.23 0.00 0.00 60.65 57.94 3gpi s ILE 4 Cb -0.22 -1.51 -0.02 0.00 -1.58 0.00 0.00 42.46 39.12 3gpi s ILE 4 CO 0.27 0.49 0.01 -0.22 -1.23 0.00 0.00 174.94 174.25 3gpi s LEU 5 N 0.32 3.28 -0.33 2.97 2.96 -0.20 -1.64 118.68 126.04 3gpi s LEU 5 Ca -0.14 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 3gpi s LEU 5 Cb -0.16 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.71 3gpi s LEU 5 CO 0.06 0.06 0.13 -0.63 -1.32 0.00 0.00 176.35 174.65 3gpi s ILE 6 N 1.05 4.21 -0.35 6.68 1.01 0.08 -0.72 121.20 133.16 3gpi s ILE 6 Ca 0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 3gpi s ILE 6 Cb -0.14 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 3gpi s ILE 6 CO 0.02 -0.07 0.56 0.00 0.00 0.00 0.00 174.94 175.44 3gpi s ALA 7 N 1.51 3.47 0.00 9.38 0.00 0.17 -0.81 121.76 135.48 3gpi s ALA 7 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3gpi s ALA 7 Cb -0.18 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3gpi s ALA 7 CO 0.04 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 174.94 3gpi n GLY 8 N 4.75 1.45 2.30 0.00 0.00 -0.31 -0.35 105.19 113.03 3gpi n GLY 8 Ca -0.03 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3gpi n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpi n GLY 10 N -0.65 -1.74 0.27 0.00 0.00 -1.26 -4.63 105.19 97.17 3gpi n GLY 10 Ca 0.46 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 3gpi n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gpi h ASP 11 N -0.26 0.73 -0.20 1.61 2.03 -1.99 -0.70 116.42 117.65 3gpi h ASP 11 Ca 0.00 -0.22 -0.03 0.00 -0.73 0.00 0.00 57.03 56.05 3gpi h ASP 11 Cb 0.00 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.30 3gpi h ASP 11 CO 0.00 0.88 -0.01 0.25 -1.03 0.00 0.00 179.24 179.33 3gpi h LEU 12 N 0.67 0.35 -1.17 0.15 5.85 -1.92 -1.50 115.31 117.73 3gpi h LEU 12 Ca 0.11 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3gpi h LEU 12 Cb 0.59 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3gpi h LEU 12 CO 0.04 0.58 0.15 1.23 -0.34 0.00 0.00 178.44 180.09 3gpi h GLY 13 N 0.10 0.78 1.12 3.75 0.00 -1.68 -0.33 103.07 106.82 3gpi h GLY 13 Ca 0.06 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 3gpi h GLY 13 CO 0.01 0.39 -0.33 1.41 0.00 0.00 0.00 176.54 178.03 3gpi h LEU 14 N 0.71 1.02 -0.60 3.11 3.38 -1.00 -0.01 115.31 121.91 3gpi h LEU 14 Ca 0.16 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 3gpi h LEU 14 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3gpi h LEU 14 CO -0.01 1.24 -0.34 -0.08 0.09 0.00 0.00 178.44 179.34 3gpi h GLU 15 N 0.81 0.73 -0.30 1.13 4.57 -0.92 -1.37 114.58 119.22 3gpi h GLU 15 Ca 0.08 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3gpi h GLU 15 Cb 0.92 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 3gpi h GLU 15 CO 0.09 0.96 0.16 1.25 -1.18 0.00 0.00 179.01 180.28 3gpi h LEU 16 N 0.61 0.38 -0.82 1.64 5.85 -0.97 -2.20 115.31 119.81 3gpi h LEU 16 Ca 0.06 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3gpi h LEU 16 Cb 0.87 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3gpi h LEU 16 CO 0.08 0.37 0.52 0.00 -0.34 0.00 0.00 178.44 179.07 3gpi h ALA 17 N 1.02 1.09 -0.54 1.25 0.00 -0.71 -0.69 119.26 120.68 3gpi h ALA 17 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gpi h ALA 17 Cb 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3gpi h ALA 17 CO -0.02 0.32 0.34 -0.09 0.00 0.00 0.00 179.25 179.81 3gpi h ARG 18 N 1.00 0.72 -0.27 0.00 2.43 -0.94 -0.00 114.38 117.31 3gpi h ARG 18 Ca 0.34 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3gpi h ARG 18 Cb 0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3gpi h ARG 18 CO -0.13 0.49 -0.04 0.00 -1.51 0.00 0.00 179.97 178.78 3gpi h ARG 19 N 0.73 0.50 -0.49 0.20 3.08 -0.93 -1.77 114.38 115.71 3gpi h ARG 19 Ca 0.20 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 3gpi h ARG 19 Cb -0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3gpi h ARG 19 CO -0.04 0.70 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.36 3gpi h LEU 20 N 0.27 0.91 -0.66 3.04 3.38 -0.94 -1.83 115.31 119.47 3gpi h LEU 20 Ca 0.07 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3gpi h LEU 20 Cb 0.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3gpi h LEU 20 CO 0.02 1.04 0.15 0.74 0.09 0.00 0.00 178.44 180.49 3gpi h THR 21 N 0.81 1.26 -0.00 0.22 2.02 -0.95 -1.93 112.91 114.34 3gpi h THR 21 Ca 0.13 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 3gpi h THR 21 Cb 0.66 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3gpi h THR 21 CO 0.05 0.36 -0.10 0.00 0.37 0.00 0.00 175.52 176.20 3gpi h ALA 22 N 1.06 1.84 -0.00 6.16 0.00 -0.86 -0.81 119.26 126.64 3gpi h ALA 22 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gpi h ALA 22 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gpi h ALA 22 CO 0.00 0.12 -0.06 1.04 0.00 0.00 0.00 179.25 180.36 3gpi n GLN 23 N -4.42 0.80 0.00 0.00 6.02 -0.73 -4.92 117.38 114.13 3gpi n GLN 23 Ca -0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3gpi n GLN 23 Cb 0.17 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3gpi n GLN 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gpi n GLY 24 N 1.21 0.67 3.79 1.08 0.00 -0.31 -5.08 105.19 106.55 3gpi n GLY 24 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3gpi n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gpi s HIS 25 N -2.00 2.88 -0.31 1.61 3.76 -0.76 -4.92 115.29 115.55 3gpi s HIS 25 Ca 0.00 1.53 -0.24 0.00 -0.15 0.00 0.00 55.06 56.20 3gpi s HIS 25 Cb 0.00 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.62 3gpi s HIS 25 CO 0.00 -1.26 0.82 -2.00 -0.85 0.00 0.00 174.74 171.45 3gpi s GLU 26 N -3.93 3.95 -0.05 1.40 2.12 -1.26 -4.40 118.70 116.54 3gpi s GLU 26 Ca 0.65 0.61 0.04 0.00 0.36 0.00 0.00 54.97 56.64 3gpi s GLU 26 Cb -0.18 -3.74 -0.00 0.00 0.26 0.00 0.00 34.13 30.48 3gpi s GLU 26 CO 0.35 -0.72 -0.17 0.08 -0.54 0.00 0.00 175.26 174.27 3gpi s VAL 27 N 3.05 1.41 0.00 3.70 1.01 -1.26 -0.76 120.40 127.55 3gpi s VAL 27 Ca 0.34 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3gpi s VAL 27 Cb -0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3gpi s VAL 27 CO 0.13 0.41 -0.10 -0.89 0.00 0.00 0.00 175.10 174.65 3gpi s THR 28 N 0.17 0.78 0.22 3.92 2.01 -0.65 -4.61 115.64 117.48 3gpi s THR 28 Ca -0.07 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.48 3gpi s THR 28 Cb -0.13 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3gpi s THR 28 CO 0.03 0.15 0.11 -0.83 -0.69 0.00 0.00 174.62 173.39 3gpi s GLY 29 N -0.42 1.59 -0.20 4.40 0.00 -0.23 -0.74 107.32 111.72 3gpi s GLY 29 Ca 0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 3gpi s GLY 29 CO -0.00 -1.43 -0.12 -2.27 0.00 0.00 0.00 173.10 169.28 3gpi s LEU 30 N -3.46 2.53 0.33 0.66 0.20 0.01 -1.28 118.68 117.67 3gpi s LEU 30 Ca 0.31 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.65 3gpi s LEU 30 Cb -0.08 -1.61 -0.06 0.00 -0.43 0.00 0.00 46.19 44.00 3gpi s LEU 30 CO 0.23 -0.01 0.07 0.00 -0.29 0.00 0.00 176.35 176.34 3gpi s ARG 31 N 1.39 1.68 0.40 1.98 1.70 -0.40 -1.17 118.95 124.53 3gpi s ARG 31 Ca 0.05 -1.95 -0.08 0.00 -0.47 0.00 0.00 55.73 53.29 3gpi s ARG 31 Cb -0.14 -0.82 -0.05 0.00 -0.57 0.00 0.00 34.95 33.37 3gpi s ARG 31 CO -0.08 -0.23 0.72 1.03 -1.08 0.00 0.00 175.30 175.66 3gpi s ARG 32 N -3.88 3.69 0.47 3.89 0.52 -1.26 -1.61 118.95 120.77 3gpi s ARG 32 Ca 0.35 0.29 0.15 0.00 -0.52 0.00 0.00 55.73 56.00 3gpi s ARG 32 Cb 0.08 -2.45 1.08 0.00 0.52 0.00 0.00 34.95 34.18 3gpi s ARG 32 CO 0.15 -0.02 2.04 0.66 0.02 0.00 0.00 175.30 178.15 3gpi h SER 33 N 1.10 0.00 0.02 0.23 4.64 -1.96 -1.55 113.55 116.03 3gpi h SER 33 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3gpi h SER 33 Cb 1.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gpi h SER 33 CO 0.64 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 3gpi n ALA 34 N -2.52 2.57 -2.98 5.18 0.00 -1.26 -4.59 120.51 116.92 3gpi n ALA 34 Ca -0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3gpi n ALA 34 Cb 0.20 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 3gpi n ALA 34 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gpi s GLN 35 N -2.02 2.87 0.39 0.00 -0.21 -0.59 -5.06 119.66 115.05 3gpi s GLN 35 Ca 0.43 -1.37 -0.25 0.00 0.02 0.00 0.00 55.36 54.19 3gpi s GLN 35 Cb 0.20 -4.02 -0.09 0.00 1.00 0.00 0.00 33.01 30.10 3gpi s GLN 35 CO 0.34 -0.99 1.15 -1.25 -2.12 0.00 0.00 175.29 172.42 3gpi s PRO 36 N 1.58 4.10 0.10 2.91 0.04 -1.26 -4.84 135.00 137.63 3gpi s PRO 36 Ca 0.04 1.80 0.05 0.00 0.04 0.00 0.00 61.00 62.93 3gpi s PRO 36 Cb -0.24 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3gpi s PRO 36 CO 0.05 -0.27 -0.02 -1.64 0.04 0.00 0.00 177.00 175.17 3gpi s MET 37 N -2.28 2.45 0.42 4.56 -1.94 -1.26 -5.11 119.30 116.15 3gpi s MET 37 Ca 0.56 -0.90 -0.24 0.00 -1.71 0.00 0.00 55.69 53.40 3gpi s MET 37 Cb -0.30 -2.48 -0.08 0.00 2.01 0.00 0.00 34.83 33.98 3gpi s MET 37 CO 0.37 0.53 1.15 -1.25 -0.01 0.00 0.00 175.02 175.81 3gpi s PRO 38 N -2.35 3.97 0.25 2.03 0.04 -1.26 -4.94 135.00 132.73 3gpi s PRO 38 Ca 0.25 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 3gpi s PRO 38 Cb -0.11 -2.56 -0.14 0.00 0.04 0.00 0.00 34.50 31.73 3gpi s PRO 38 CO 0.18 -0.38 1.35 0.00 0.04 0.00 0.00 177.00 178.19 3gpi n ALA 39 N -0.14 0.88 0.00 8.56 0.00 -1.26 -2.73 120.51 125.82 3gpi n ALA 39 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3gpi n ALA 39 Cb 0.47 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3gpi n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpi n GLY 40 N 1.95 2.12 3.75 0.00 0.00 -1.26 -5.07 105.19 106.69 3gpi n GLY 40 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3gpi n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpi s VAL 41 N -2.56 4.51 -0.37 1.61 0.11 -1.11 -5.03 120.40 117.57 3gpi s VAL 41 Ca 0.00 1.78 -0.18 0.00 -2.93 0.00 0.00 61.98 60.65 3gpi s VAL 41 Cb 0.00 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 3gpi s VAL 41 CO 0.00 0.42 0.52 -1.58 -3.33 0.00 0.00 175.10 171.12 3gpi s GLN 42 N -0.48 3.54 0.10 1.54 2.00 -1.26 -4.99 119.66 120.10 3gpi s GLN 42 Ca 0.40 -0.24 -0.02 0.00 -2.00 0.00 0.00 55.36 53.50 3gpi s GLN 42 Cb -0.22 -3.84 -0.04 0.00 0.80 0.00 0.00 33.01 29.71 3gpi s GLN 42 CO 0.26 -0.70 0.04 0.95 -0.50 0.00 0.00 175.29 175.35 3gpi s THR 43 N 2.41 0.14 0.24 -0.34 -4.23 -1.26 -1.06 115.64 111.54 3gpi s THR 43 Ca 0.18 -1.81 0.11 0.00 -1.18 0.00 0.00 61.69 58.99 3gpi s THR 43 Cb -0.15 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 3gpi s THR 43 CO 0.14 -0.66 -0.20 -1.48 -0.54 0.00 0.00 174.62 171.88 3gpi s LEU 44 N -2.99 2.54 -0.15 4.79 0.05 -0.40 -4.91 118.68 117.60 3gpi s LEU 44 Ca 0.17 -0.98 -0.17 0.00 0.05 0.00 0.00 54.13 53.20 3gpi s LEU 44 Cb 0.07 -1.05 -0.04 0.00 -2.05 0.00 0.00 46.19 43.12 3gpi s LEU 44 CO -0.03 0.03 0.42 -0.63 -0.55 0.00 0.00 176.35 175.59 3gpi s ILE 45 N -2.32 5.21 0.29 1.48 1.01 -1.26 -1.27 121.20 124.34 3gpi s ILE 45 Ca 0.26 0.80 -0.17 0.00 0.00 0.00 0.00 60.65 61.53 3gpi s ILE 45 Cb -0.05 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.68 3gpi s ILE 45 CO 0.12 0.31 0.66 0.00 0.00 0.00 0.00 174.94 176.04 3gpi s ALA 46 N 0.83 -0.81 -0.23 9.38 0.00 -0.63 -4.93 121.76 125.36 3gpi s ALA 46 Ca 0.22 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3gpi s ALA 46 Cb -0.14 0.89 0.06 0.00 0.00 0.00 0.00 23.12 23.93 3gpi s ALA 46 CO 0.08 -0.97 -0.03 0.34 0.00 0.00 0.00 175.76 175.18 3gpi s ASP 47 N -2.98 3.73 0.58 0.00 -1.08 -1.26 -4.32 116.67 111.33 3gpi s ASP 47 Ca 0.15 -1.16 0.39 0.00 -0.52 0.00 0.00 52.55 51.41 3gpi s ASP 47 Cb -0.04 -1.08 2.10 0.00 -1.46 0.00 0.00 42.92 42.44 3gpi s ASP 47 CO 0.09 -0.26 2.19 -0.37 0.52 0.00 0.00 175.17 177.34 3gpi h VAL 48 N 6.64 0.00 -0.00 1.11 -1.51 -1.96 0.08 116.25 120.60 3gpi h VAL 48 Ca -0.17 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3gpi h VAL 48 Cb 1.08 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3gpi h VAL 48 CO 0.40 0.00 -0.21 0.35 -1.23 0.00 0.00 177.57 176.88 3gpi n THR 49 N -2.87 0.00 -3.97 7.19 -2.24 -1.26 -4.29 114.28 106.83 3gpi n THR 49 Ca -0.03 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 3gpi n THR 49 Cb 0.07 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 3gpi n THR 49 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gpi s ARG 50 N -2.95 1.70 0.50 -0.78 0.52 0.01 -4.99 118.95 112.96 3gpi s ARG 50 Ca 0.14 -2.22 0.31 0.00 -0.52 0.00 0.00 55.73 53.43 3gpi s ARG 50 Cb 0.18 -3.22 1.41 0.00 0.52 0.00 0.00 34.95 33.85 3gpi s ARG 50 CO 0.59 -1.03 1.80 -1.35 0.02 0.00 0.00 175.30 175.33 3gpi h PRO 51 N 7.06 0.12 0.00 3.54 0.11 -1.82 -0.08 132.00 140.93 3gpi h PRO 51 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3gpi h PRO 51 Cb 0.96 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gpi h PRO 51 CO 0.60 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 3gpi n ASP 52 N -4.33 0.38 -0.86 -2.05 9.92 -1.26 -1.56 116.55 116.78 3gpi n ASP 52 Ca 0.25 0.61 0.12 0.00 -0.53 0.00 0.00 54.79 55.24 3gpi n ASP 52 Cb 1.12 -0.68 0.19 0.00 -0.64 0.00 0.00 41.12 41.11 3gpi n ASP 52 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3gpi n THR 53 N -1.93 0.01 -0.06 -3.53 -2.24 -0.04 -4.34 114.28 102.15 3gpi n THR 53 Ca 0.02 -0.45 0.08 0.00 -2.27 0.00 0.00 64.05 61.43 3gpi n THR 53 Cb 0.17 1.29 0.19 0.00 -2.10 0.00 0.00 70.33 69.88 3gpi n THR 53 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gpi n LEU 54 N 1.11 3.14 0.10 3.22 4.77 -0.60 -4.59 117.00 124.15 3gpi n LEU 54 Ca 0.15 -1.79 0.11 0.00 -0.03 0.00 0.00 56.01 54.46 3gpi n LEU 54 Cb 0.55 -0.27 0.46 0.00 -2.33 0.00 0.00 43.42 41.83 3gpi n LEU 54 CO 0.15 0.75 0.85 0.00 -1.33 0.00 0.00 177.39 177.81 3gpi n ALA 55 N 0.97 1.77 0.07 -1.18 0.00 -1.25 -2.85 120.51 118.04 3gpi n ALA 55 Ca 0.15 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.73 3gpi n ALA 55 Cb 0.49 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 3gpi n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gpi n SER 56 N -2.11 0.69 0.20 0.00 3.41 -1.26 -4.49 113.62 110.06 3gpi n SER 56 Ca 0.03 0.27 0.04 0.00 -0.26 0.00 0.00 58.87 58.95 3gpi n SER 56 Cb 0.25 0.69 0.43 0.00 -0.26 0.00 0.00 64.21 65.32 3gpi n SER 56 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3gpi h ILE 57 N 0.00 1.16 0.00 -1.33 3.07 -1.84 -1.61 117.51 116.97 3gpi h ILE 57 Ca -0.04 -1.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.37 3gpi h ILE 57 Cb 1.11 1.54 -0.00 0.00 -0.27 0.00 0.00 36.82 39.20 3gpi h ILE 57 CO 0.01 0.28 -0.04 1.62 -1.05 0.00 0.00 178.15 178.97 3gpi h VAL 58 N 0.00 0.35 0.00 0.16 3.04 -1.79 -0.92 116.25 117.09 3gpi h VAL 58 Ca -0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3gpi h VAL 58 Cb 0.52 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 3gpi h VAL 58 CO 0.04 0.04 0.00 0.45 -1.01 0.00 0.00 177.57 177.09 3gpi h HIS 59 N 0.00 0.00 0.00 3.17 3.86 -1.59 -1.44 115.15 119.15 3gpi h HIS 59 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gpi h HIS 59 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3gpi h HIS 59 CO 0.00 0.00 0.00 -0.07 0.86 0.00 0.00 177.93 178.72 3gpi h LEU 60 N 0.00 0.00 -2.88 2.43 3.38 -1.30 -3.47 115.31 113.47 3gpi h LEU 60 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3gpi h LEU 60 Cb 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 3gpi h LEU 60 CO 0.00 0.00 -0.97 0.54 0.09 0.00 0.00 178.44 178.10 3gpi n ARG 61 N -2.74 -1.12 -2.33 1.13 1.74 -0.54 -4.90 116.66 107.91 3gpi n ARG 61 Ca 0.01 0.18 -0.36 0.00 -0.77 0.00 0.00 57.85 56.92 3gpi n ARG 61 Cb 0.29 -3.42 -0.01 0.00 -1.02 0.00 0.00 32.46 28.30 3gpi n ARG 61 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gpi s PRO 62 N -7.10 3.66 0.16 5.56 0.04 -1.26 -4.61 135.00 131.44 3gpi s PRO 62 Ca 0.24 1.63 0.18 0.00 0.04 0.00 0.00 61.00 63.10 3gpi s PRO 62 Cb -0.12 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3gpi s PRO 62 CO 0.95 -0.60 1.02 0.93 0.04 0.00 0.00 177.00 179.35 3gpi h GLU 63 N 1.71 0.00 -4.50 4.56 3.07 -1.18 -3.23 114.58 115.02 3gpi h GLU 63 Ca -0.49 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 57.87 3gpi h GLU 63 Cb 1.25 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.82 3gpi h GLU 63 CO 0.59 0.22 -0.81 0.42 -1.40 0.00 0.00 179.01 178.04 3gpi s ILE 64 N -3.07 1.02 -0.19 3.13 -1.09 -0.81 0.27 121.20 120.45 3gpi s ILE 64 Ca -0.01 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 57.93 3gpi s ILE 64 Cb 0.09 -0.94 -0.04 0.00 -1.58 0.00 0.00 42.46 39.99 3gpi s ILE 64 CO 0.79 0.33 0.05 -0.22 -1.23 0.00 0.00 174.94 174.65 3gpi s LEU 65 N 0.63 3.64 -0.26 2.97 2.96 -0.73 -1.04 118.68 126.85 3gpi s LEU 65 Ca -0.13 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3gpi s LEU 65 Cb -0.15 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 3gpi s LEU 65 CO 0.03 0.12 0.04 -0.69 -1.32 0.00 0.00 176.35 174.53 3gpi s VAL 66 N 0.66 3.78 -0.31 1.68 1.01 0.11 -0.50 120.40 126.82 3gpi s VAL 66 Ca 0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3gpi s VAL 66 Cb -0.13 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3gpi s VAL 66 CO 0.02 0.22 0.11 -0.47 0.00 0.00 0.00 175.10 174.98 3gpi s TYR 67 N 1.50 3.18 -0.77 5.22 5.04 0.47 -0.66 117.35 131.33 3gpi s TYR 67 Ca 0.04 -1.00 0.11 0.00 -2.44 0.00 0.00 57.07 53.78 3gpi s TYR 67 Cb -0.16 -2.29 -0.07 0.00 0.35 0.00 0.00 41.96 39.79 3gpi s TYR 67 CO 0.01 -0.60 0.57 0.00 -1.34 0.00 0.00 175.55 174.19 3gpi h VAL 69 N 0.59 1.23 -0.75 0.00 2.07 -1.86 -2.41 116.25 115.12 3gpi h VAL 69 Ca 0.00 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3gpi h VAL 69 Cb 0.32 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3gpi h VAL 69 CO 0.00 0.29 0.27 0.00 0.02 0.00 0.00 177.57 178.15 3gpi h ALA 70 N 1.07 0.98 -0.65 1.67 0.00 -1.85 0.76 119.26 121.24 3gpi h ALA 70 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gpi h ALA 70 Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gpi h ALA 70 CO -0.01 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.29 3gpi h ALA 71 N 1.14 0.83 -0.66 0.00 0.00 -1.51 0.44 119.26 119.49 3gpi h ALA 71 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3gpi h ALA 71 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gpi h ALA 71 CO -0.01 0.27 0.21 0.77 0.00 0.00 0.00 179.25 180.49 3gpi h SER 72 N 0.88 0.92 -0.39 0.00 0.02 -0.93 -2.47 113.55 111.58 3gpi h SER 72 Ca 0.24 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3gpi h SER 72 Cb -0.08 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3gpi h SER 72 CO -0.05 0.86 0.11 -0.33 -1.14 0.00 0.00 176.83 176.28 3gpi h GLU 73 N 0.96 0.62 -0.55 3.45 5.08 -0.30 -3.08 114.58 120.76 3gpi h GLU 73 Ca 0.22 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 3gpi h GLU 73 Cb 0.26 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3gpi h GLU 73 CO -0.01 0.64 0.13 -0.92 -1.00 0.00 0.00 179.01 177.85 3gpi h TYR 74 N 0.49 0.22 0.00 4.33 3.20 0.07 -3.51 116.97 121.77 3gpi h TYR 74 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3gpi h TYR 74 Cb 0.29 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3gpi h TYR 74 CO 0.01 0.01 0.00 -1.13 -1.64 0.00 0.00 178.16 175.41 3gpi n SER 75 N -5.09 0.30 -0.86 -2.11 3.41 -0.95 -5.02 113.62 103.29 3gpi n SER 75 Ca 0.07 -1.37 0.04 0.00 -0.26 0.00 0.00 58.87 57.35 3gpi n SER 75 Cb 0.27 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3gpi n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpi n LEU 81 N -0.21 -0.35 -4.76 1.04 -0.00 -1.26 -5.11 117.00 106.35 3gpi n LEU 81 Ca 0.00 0.75 -0.35 0.00 -0.00 0.00 0.00 56.01 56.41 3gpi n LEU 81 Cb 0.07 -1.98 0.03 0.00 -0.00 0.00 0.00 43.42 41.54 3gpi n LEU 81 CO 0.00 -0.56 0.80 -0.55 -0.00 0.00 0.00 177.39 177.08 3gpi s SER 82 N -5.45 5.30 -0.19 1.45 0.15 -1.26 -4.98 113.70 108.72 3gpi s SER 82 Ca 0.00 2.26 0.16 0.00 0.70 0.00 0.00 55.95 59.07 3gpi s SER 82 Cb 0.00 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.48 3gpi s SER 82 CO 0.00 -1.51 0.12 -1.22 1.20 0.00 0.00 173.24 171.83 3gpi n TYR 83 N -1.68 0.12 0.16 3.44 0.53 -1.26 -4.43 117.16 114.04 3gpi n TYR 83 Ca 0.12 0.04 0.02 0.00 -1.02 0.00 0.00 57.90 57.07 3gpi n TYR 83 Cb 0.50 -1.02 0.38 0.00 -1.03 0.00 0.00 39.34 38.17 3gpi n TYR 83 CO 0.00 0.00 0.00 -0.24 -1.02 0.00 0.00 176.86 175.60 3gpi h VAL 84 N 0.00 1.22 -0.07 -0.72 3.04 -1.88 -3.04 116.25 114.80 3gpi h VAL 84 Ca -0.52 -1.02 0.04 0.00 -1.01 0.00 0.00 66.70 64.19 3gpi h VAL 84 Cb 2.20 1.47 -0.06 0.00 -2.01 0.00 0.00 31.29 32.89 3gpi h VAL 84 CO 0.03 0.30 -0.37 -0.08 -1.01 0.00 0.00 177.57 176.44 3gpi h GLU 85 N 0.09 -0.46 -0.79 4.17 4.57 -1.97 0.20 114.58 120.39 3gpi h GLU 85 Ca 0.01 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3gpi h GLU 85 Cb 0.52 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.17 3gpi h GLU 85 CO 0.04 -0.31 0.51 0.78 -1.18 0.00 0.00 179.01 178.85 3gpi h GLY 86 N -0.48 1.14 1.00 1.92 0.00 -1.72 0.11 103.07 105.04 3gpi h GLY 86 Ca 0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3gpi h GLY 86 CO -0.34 0.35 -0.18 -2.00 0.00 0.00 0.00 176.54 174.38 3gpi h LEU 87 N 1.02 0.81 -0.10 3.11 5.85 -1.49 -1.72 115.31 122.79 3gpi h LEU 87 Ca 0.31 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3gpi h LEU 87 Cb -0.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3gpi h LEU 87 CO -0.10 1.04 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.89 3gpi h ARG 88 N 0.58 -0.06 -0.56 1.25 2.43 -0.15 -0.31 114.38 117.56 3gpi h ARG 88 Ca 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3gpi h ARG 88 Cb 0.73 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3gpi h ARG 88 CO 0.06 -0.04 0.28 -0.91 -1.51 0.00 0.00 179.97 177.85 3gpi h ASN 89 N -0.06 0.73 -0.18 -3.80 2.35 -0.80 -0.45 115.58 113.36 3gpi h ASN 89 Ca 0.06 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3gpi h ASN 89 Cb 0.15 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3gpi h ASN 89 CO -0.14 0.64 -0.01 0.74 -1.65 0.00 0.00 177.43 177.01 3gpi h THR 90 N 0.76 1.26 -0.60 2.81 2.02 -1.13 -0.60 112.91 117.43 3gpi h THR 90 Ca 0.20 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3gpi h THR 90 Cb 0.10 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 3gpi h THR 90 CO -0.03 0.27 0.32 -0.07 0.37 0.00 0.00 175.52 176.39 3gpi h LEU 91 N 0.06 0.76 -0.89 2.58 3.38 -0.92 -2.07 115.31 118.21 3gpi h LEU 91 Ca 0.05 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3gpi h LEU 91 Cb 0.41 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3gpi h LEU 91 CO 0.01 0.64 0.59 -1.28 0.09 0.00 0.00 178.44 178.49 3gpi h SER 92 N 0.82 1.01 0.82 -0.43 0.87 -0.96 -1.79 113.55 113.90 3gpi h SER 92 Ca 0.21 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3gpi h SER 92 Cb 0.06 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3gpi h SER 92 CO -0.03 0.73 -0.02 0.00 -0.53 0.00 0.00 176.83 176.98 3gpi h ALA 93 N 1.34 1.01 -0.29 6.23 0.00 -0.69 -2.03 119.26 124.83 3gpi h ALA 93 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gpi h ALA 93 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gpi h ALA 93 CO -0.08 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3gpi n LEU 94 N -3.13 2.04 -4.64 0.00 4.77 -0.68 -4.01 117.00 111.36 3gpi n LEU 94 Ca -0.00 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.62 3gpi n LEU 94 Cb 0.27 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3gpi n LEU 94 CO 0.26 0.47 1.63 -0.70 -1.33 0.00 0.00 177.39 177.72 3gpi s GLU 95 N -1.63 3.89 0.00 3.23 2.12 -0.77 -0.92 118.70 124.62 3gpi s GLU 95 Ca 0.31 2.38 0.00 0.00 0.36 0.00 0.00 54.97 58.02 3gpi s GLU 95 Cb 0.17 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 30.37 3gpi s GLU 95 CO 0.24 -1.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 3gpi n GLY 96 N 4.80 1.77 3.79 -1.50 0.00 -1.26 -4.99 105.19 107.79 3gpi n GLY 96 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3gpi n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpi s ALA 97 N -1.82 2.62 -0.46 4.61 0.00 -0.10 -4.91 121.76 121.70 3gpi s ALA 97 Ca 0.00 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 3gpi s ALA 97 Cb 0.00 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 3gpi s ALA 97 CO 0.00 -1.02 3.18 -0.35 0.00 0.00 0.00 175.76 177.58 3gpi n PRO 98 N -2.19 2.56 -2.22 0.00 -0.04 -1.24 -4.94 135.00 126.92 3gpi n PRO 98 Ca 0.09 -1.77 -0.42 0.00 -0.04 0.00 0.00 63.50 61.37 3gpi n PRO 98 Cb 0.52 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 3gpi n PRO 98 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gpi s LEU 99 N -0.81 4.30 -0.06 1.53 2.96 -1.22 -4.21 118.68 121.17 3gpi s LEU 99 Ca 0.64 2.08 0.12 0.00 -0.22 0.00 0.00 54.13 56.75 3gpi s LEU 99 Cb 0.31 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 43.26 3gpi s LEU 99 CO -0.08 -0.75 0.20 0.00 -1.32 0.00 0.00 176.35 174.40 3gpi n GLN 100 N 5.73 0.98 -3.59 1.98 6.02 0.14 -5.02 117.38 123.62 3gpi n GLN 100 Ca 0.14 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.89 3gpi n GLN 100 Cb 0.44 -1.32 -0.07 0.00 1.02 0.00 0.00 30.24 30.32 3gpi n GLN 100 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3gpi s HIS 101 N -2.69 -0.73 -0.18 1.08 2.46 -1.11 -4.75 115.29 109.38 3gpi s HIS 101 Ca -0.05 1.59 -0.01 0.00 0.47 0.00 0.00 55.06 57.05 3gpi s HIS 101 Cb 0.07 0.33 -0.00 0.00 -0.13 0.00 0.00 32.58 32.84 3gpi s HIS 101 CO 0.53 -0.47 -0.12 0.08 -2.47 0.00 0.00 174.74 172.30 3gpi s VAL 102 N -0.26 2.84 -0.27 0.89 1.01 -0.62 -1.77 120.40 122.22 3gpi s VAL 102 Ca -0.04 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3gpi s VAL 102 Cb -0.03 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3gpi s VAL 102 CO 0.04 0.49 0.18 -0.36 0.00 0.00 0.00 175.10 175.45 3gpi s PHE 103 N 1.06 3.23 -0.17 5.22 0.08 0.34 -1.12 117.98 126.62 3gpi s PHE 103 Ca -0.00 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 3gpi s PHE 103 Cb -0.15 -2.35 -0.00 0.00 -0.57 0.00 0.00 43.02 39.95 3gpi s PHE 103 CO -0.03 -0.12 -0.13 0.12 -0.10 0.00 0.00 175.22 174.97 3gpi s PHE 104 N 1.59 2.83 -0.43 0.36 5.36 -0.17 -0.40 117.98 127.12 3gpi s PHE 104 Ca 0.07 -0.99 -0.23 0.00 -0.96 0.00 0.00 56.93 54.82 3gpi s PHE 104 Cb -0.15 -1.93 0.02 0.00 -0.34 0.00 0.00 43.02 40.62 3gpi s PHE 104 CO 0.09 -0.47 0.77 0.08 -1.46 0.00 0.00 175.22 174.23 3gpi s VAL 105 N 0.92 4.69 0.00 3.12 1.01 -0.45 -0.13 120.40 129.55 3gpi s VAL 105 Ca -0.03 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3gpi s VAL 105 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.95 3gpi s VAL 105 CO -0.01 -0.64 0.00 -0.24 0.00 0.00 0.00 175.10 174.21 3gpi n SER 106 N 6.60 0.77 -3.94 3.32 2.88 0.15 -3.54 113.62 119.86 3gpi n SER 106 Ca 0.02 -0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 3gpi n SER 106 Cb 0.48 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 3gpi n SER 106 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3gpi s SER 107 N -0.40 0.36 0.00 -3.46 0.15 -1.26 -2.05 113.70 107.04 3gpi s SER 107 Ca 0.00 -0.15 0.11 0.00 0.70 0.00 0.00 55.95 56.61 3gpi s SER 107 Cb 0.00 -0.01 0.54 0.00 -1.71 0.00 0.00 66.02 64.84 3gpi s SER 107 CO 0.00 -0.03 1.23 0.35 1.20 0.00 0.00 173.24 175.99 3gpi n THR 108 N 2.70 0.72 0.30 6.45 -2.24 -0.20 -2.59 114.28 119.42 3gpi n THR 108 Ca -0.15 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 3gpi n THR 108 Cb 0.58 -1.01 0.46 0.00 -2.10 0.00 0.00 70.33 68.27 3gpi n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpi n GLY 109 N -0.38 -1.06 0.29 3.38 0.00 -1.26 -1.44 105.19 104.71 3gpi n GLY 109 Ca 0.05 0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.33 3gpi n GLY 109 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gpi h VAL 110 N 0.00 0.35 -1.34 1.61 -1.51 -1.81 -3.30 116.25 110.24 3gpi h VAL 110 Ca 0.00 -0.34 -0.65 0.00 -1.23 0.00 0.00 66.70 64.48 3gpi h VAL 110 Cb 0.21 1.25 -0.11 0.00 -2.13 0.00 0.00 31.29 30.50 3gpi h VAL 110 CO 0.00 0.06 1.59 -0.31 -1.23 0.00 0.00 177.57 177.68 3gpi s TYR 111 N -4.16 2.79 -0.85 5.19 2.02 -0.52 -2.97 117.35 118.85 3gpi s TYR 111 Ca -0.03 -1.29 0.27 0.00 -0.37 0.00 0.00 57.07 55.65 3gpi s TYR 111 Cb 0.13 -4.62 0.83 0.00 -0.40 0.00 0.00 41.96 37.90 3gpi s TYR 111 CO 0.53 -1.78 1.70 0.41 -1.57 0.00 0.00 175.55 174.84 3gpi n GLY 112 N 5.96 -1.52 3.76 0.71 0.00 0.77 -4.85 105.19 110.03 3gpi n GLY 112 Ca 0.37 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3gpi n GLY 112 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gpi s GLN 113 N -3.06 4.25 -0.32 1.61 0.00 -1.19 -4.80 119.66 116.14 3gpi s GLN 113 Ca 0.11 2.36 -0.09 0.00 -0.00 0.00 0.00 55.36 57.74 3gpi s GLN 113 Cb 0.16 -3.05 0.00 0.00 0.00 0.00 0.00 33.01 30.12 3gpi s GLN 113 CO 0.61 -0.37 0.14 -1.21 0.00 0.00 0.00 175.29 174.46 3gpi s GLU 114 N -1.40 3.17 -0.02 9.60 2.02 -1.26 -4.65 118.70 126.15 3gpi s GLU 114 Ca 0.54 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 3gpi s GLU 114 Cb -0.43 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.26 3gpi s GLU 114 CO 0.53 -0.48 0.11 0.14 0.02 0.00 0.00 175.26 175.58 3gpi s VAL 115 N 1.57 0.04 -1.30 2.63 -7.23 -0.56 -4.93 120.40 110.62 3gpi s VAL 115 Ca 0.03 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.79 3gpi s VAL 115 Cb -0.18 -0.28 0.14 0.00 0.56 0.00 0.00 36.38 36.62 3gpi s VAL 115 CO 0.05 -0.20 2.29 -0.62 -0.31 0.00 0.00 175.10 176.31 3gpi n GLU 116 N 2.29 4.52 -3.88 4.82 -0.58 -1.26 -4.19 120.64 122.35 3gpi n GLU 116 Ca -0.17 -3.54 -0.09 0.00 -0.42 0.00 0.00 57.16 52.93 3gpi n GLU 116 Cb 0.57 -2.66 -0.07 0.00 -0.57 0.00 0.00 31.44 28.72 3gpi n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3gpi s GLU 117 N -1.13 1.06 -0.16 3.49 2.02 -1.26 -5.05 118.70 117.66 3gpi s GLU 117 Ca 0.51 -1.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.28 3gpi s GLU 117 Cb 0.17 0.39 -0.03 0.00 0.10 0.00 0.00 34.13 34.75 3gpi s GLU 117 CO -0.08 -0.38 0.55 -1.58 0.02 0.00 0.00 175.26 173.79 3gpi s TRP 118 N -3.91 3.43 0.09 1.61 0.52 -1.26 -2.16 118.94 117.26 3gpi s TRP 118 Ca 0.11 0.89 0.04 0.00 0.02 0.00 0.00 56.10 57.16 3gpi s TRP 118 Cb 0.03 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 3gpi s TRP 118 CO -0.05 -0.03 0.04 -0.51 0.02 0.00 0.00 176.95 176.42 3gpi s LEU 119 N 1.34 3.63 0.00 2.99 1.43 0.06 -4.92 118.68 123.21 3gpi s LEU 119 Ca 0.27 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3gpi s LEU 119 Cb -0.16 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3gpi s LEU 119 CO 0.11 0.17 0.00 -0.90 0.23 0.00 0.00 176.35 175.96 3gpi n ASP 120 N 0.47 0.07 0.31 2.29 5.68 -1.26 -1.16 116.55 122.94 3gpi n ASP 120 Ca -0.10 -0.82 0.21 0.00 -0.50 0.00 0.00 54.79 53.58 3gpi n ASP 120 Cb 0.52 0.00 1.01 0.00 -1.14 0.00 0.00 41.12 41.50 3gpi n ASP 120 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gpi h GLU 121 N 0.00 0.00 0.00 0.11 3.07 -1.93 -1.73 114.58 114.10 3gpi h GLU 121 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gpi h GLU 121 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3gpi h GLU 121 CO 0.00 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.17 3gpi h ASP 122 N 0.00 0.00 -3.07 1.42 3.32 -1.98 -3.44 116.42 112.66 3gpi h ASP 122 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3gpi h ASP 122 Cb 0.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3gpi h ASP 122 CO 0.00 0.00 0.75 -0.89 -1.72 0.00 0.00 179.24 177.38 3gpi s THR 123 N -3.23 4.46 0.11 0.35 2.01 -0.65 -5.00 115.64 113.70 3gpi s THR 123 Ca 0.07 1.77 -0.31 0.00 0.31 0.00 0.00 61.69 63.53 3gpi s THR 123 Cb 0.08 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 3gpi s THR 123 CO 0.61 -0.08 1.46 -2.84 -0.69 0.00 0.00 174.62 173.08 3gpi s PRO 124 N 2.76 4.28 0.22 4.92 0.02 -1.26 -4.89 135.00 141.05 3gpi s PRO 124 Ca 0.51 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 63.39 3gpi s PRO 124 Cb -0.20 -3.30 -0.08 0.00 0.02 0.00 0.00 34.50 30.93 3gpi s PRO 124 CO 0.15 -0.52 1.14 -1.25 -0.33 0.00 0.00 177.00 176.20 3gpi s PRO 125 N 1.42 4.56 -0.41 5.54 0.04 -1.26 -5.01 135.00 139.88 3gpi s PRO 125 Ca 0.67 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.49 3gpi s PRO 125 Cb -0.38 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.04 3gpi s PRO 125 CO 0.30 0.05 0.21 0.42 0.04 0.00 0.00 177.00 178.02 3gpi s ILE 126 N -0.49 3.43 0.26 0.56 1.01 -1.22 -4.94 121.20 119.80 3gpi s ILE 126 Ca 0.49 -1.95 -0.29 0.00 0.00 0.00 0.00 60.65 58.90 3gpi s ILE 126 Cb -0.32 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 3gpi s ILE 126 CO 0.38 -0.65 1.16 0.00 0.00 0.00 0.00 174.94 175.82 3gpi s ALA 127 N 1.19 3.43 0.00 9.38 0.00 -1.16 -0.16 121.76 134.44 3gpi s ALA 127 Ca 0.07 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3gpi s ALA 127 Cb -0.23 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3gpi s ALA 127 CO -0.03 -0.29 0.59 1.63 0.00 0.00 0.00 175.76 177.66 3gpi n LYS 128 N 1.51 0.22 -4.16 0.00 4.76 -1.26 -4.86 118.16 114.36 3gpi n LYS 128 Ca 0.01 -0.73 -0.14 0.00 -2.87 0.00 0.00 58.31 54.58 3gpi n LYS 128 Cb 0.44 -0.93 -0.08 0.00 -1.84 0.00 0.00 35.03 32.62 3gpi n LYS 128 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 3gpi s ASP 129 N -0.27 0.62 0.22 4.39 -4.77 -1.26 -5.05 116.67 110.53 3gpi s ASP 129 Ca 0.00 -1.42 -0.08 0.00 -3.30 0.00 0.00 52.55 47.75 3gpi s ASP 129 Cb 0.00 0.51 0.17 0.00 -1.09 0.00 0.00 42.92 42.51 3gpi s ASP 129 CO 0.00 -1.04 1.82 0.15 0.70 0.00 0.00 175.17 176.80 3gpi h PHE 130 N 2.34 1.15 -0.59 2.11 3.57 -1.99 -1.11 116.94 122.43 3gpi h PHE 130 Ca -0.30 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 3gpi h PHE 130 Cb 1.24 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 3gpi h PHE 130 CO 0.90 0.82 0.21 0.77 -2.23 0.00 0.00 178.31 178.78 3gpi h SER 131 N 1.14 0.84 -0.47 0.41 0.02 -1.96 -0.07 113.55 113.46 3gpi h SER 131 Ca 0.28 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 3gpi h SER 131 Cb 0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3gpi h SER 131 CO -0.04 0.81 -0.10 1.23 -1.14 0.00 0.00 176.83 177.59 3gpi h GLY 132 N 0.83 1.02 0.93 -3.77 0.00 -1.77 -0.70 103.07 99.61 3gpi h GLY 132 Ca 0.19 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 3gpi h GLY 132 CO -0.01 0.73 -0.13 0.50 0.00 0.00 0.00 176.54 177.63 3gpi h LYS 133 N 0.84 0.67 -0.58 4.80 1.57 -0.96 -0.56 116.57 122.34 3gpi h LYS 133 Ca 0.14 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3gpi h LYS 133 Cb 0.63 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3gpi h LYS 133 CO 0.04 0.87 0.23 0.00 -0.57 0.00 0.00 179.45 180.02 3gpi h ARG 134 N 0.44 0.85 -0.27 3.15 3.08 -0.91 -0.95 114.38 119.77 3gpi h ARG 134 Ca 0.08 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3gpi h ARG 134 Cb 0.65 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3gpi h ARG 134 CO 0.04 0.70 -0.30 1.98 -1.07 0.00 0.00 179.97 181.32 3gpi h MET 135 N 0.84 0.68 -0.21 0.04 4.05 -0.83 -1.35 114.93 118.15 3gpi h MET 135 Ca 0.20 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.20 3gpi h MET 135 Cb 0.17 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 3gpi h MET 135 CO -0.02 0.99 -0.09 -0.07 0.23 0.00 0.00 176.91 177.95 3gpi h LEU 136 N 0.41 0.31 -0.46 3.39 3.38 -0.92 -0.40 115.31 121.02 3gpi h LEU 136 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3gpi h LEU 136 Cb 0.88 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3gpi h LEU 136 CO 0.07 0.44 0.20 -0.33 0.09 0.00 0.00 178.44 178.92 3gpi h GLU 137 N 0.32 0.68 -0.52 1.13 5.08 -0.95 -1.54 114.58 118.78 3gpi h GLU 137 Ca 0.07 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3gpi h GLU 137 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3gpi h GLU 137 CO 0.02 0.60 0.07 0.00 -1.00 0.00 0.00 179.01 178.70 3gpi h ALA 138 N 1.05 0.69 -0.91 3.43 0.00 -0.87 -3.01 119.26 119.63 3gpi h ALA 138 Ca 0.16 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3gpi h ALA 138 Cb 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3gpi h ALA 138 CO -0.02 0.44 0.58 0.93 0.00 0.00 0.00 179.25 181.18 3gpi h GLU 139 N 0.75 1.06 -0.92 0.00 5.08 -0.89 -3.22 114.58 116.43 3gpi h GLU 139 Ca 0.16 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3gpi h GLU 139 Cb 0.42 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3gpi h GLU 139 CO 0.01 0.70 0.60 0.00 -1.00 0.00 0.00 179.01 179.32 3gpi h ALA 140 N 1.40 1.44 -0.53 3.43 0.00 -1.14 -1.65 119.26 122.22 3gpi h ALA 140 Ca 0.38 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.35 3gpi h ALA 140 Cb 0.09 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 3gpi h ALA 140 CO -0.15 0.46 0.08 1.25 0.00 0.00 0.00 179.25 180.89 3gpi h LEU 141 N 1.12 -0.06 0.00 0.00 5.85 -1.65 -2.16 115.31 118.41 3gpi h LEU 141 Ca 0.37 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3gpi h LEU 141 Cb 0.06 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gpi h LEU 141 CO -0.12 -0.01 0.03 0.18 -0.34 0.00 0.00 178.44 178.18 3gpi n LEU 142 N -5.15 0.00 -0.04 2.25 4.77 -0.62 -3.17 117.00 115.03 3gpi n LEU 142 Ca 0.06 0.20 0.15 0.00 -0.03 0.00 0.00 56.01 56.39 3gpi n LEU 142 Cb 0.27 -0.20 0.58 0.00 -2.33 0.00 0.00 43.42 41.75 3gpi n LEU 142 CO 0.18 -0.20 1.18 0.00 -1.33 0.00 0.00 177.39 177.22 3gpi h ALA 143 N 1.75 2.21 -0.00 -1.18 0.00 -1.55 -1.10 119.26 119.39 3gpi h ALA 143 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gpi h ALA 143 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gpi h ALA 143 CO 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 179.25 178.63 3gpi n ALA 144 N -2.57 3.06 -2.72 0.00 0.00 -1.19 -4.90 120.51 112.19 3gpi n ALA 144 Ca 0.10 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 3gpi n ALA 144 Cb 0.47 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 3gpi n ALA 144 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gpi s TYR 145 N -2.66 3.11 -0.09 0.00 1.51 -0.42 -5.06 117.35 113.74 3gpi s TYR 145 Ca 0.21 0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 56.05 3gpi s TYR 145 Cb 0.19 -1.64 -0.06 0.00 -0.11 0.00 0.00 41.96 40.34 3gpi s TYR 145 CO 0.55 0.49 1.83 0.45 -1.11 0.00 0.00 175.55 177.76 3gpi s SER 146 N -1.92 6.35 0.09 2.29 0.15 -1.26 -4.91 113.70 114.48 3gpi s SER 146 Ca 0.23 2.17 -0.26 0.00 0.70 0.00 0.00 55.95 58.80 3gpi s SER 146 Cb -0.12 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 3gpi s SER 146 CO 0.15 -1.20 0.76 -0.94 1.20 0.00 0.00 173.24 173.20 3gpi s SER 147 N 4.65 -0.44 -0.05 5.45 1.04 -1.26 -1.59 113.70 121.49 3gpi s SER 147 Ca 0.82 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.18 3gpi s SER 147 Cb -0.34 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.31 3gpi s SER 147 CO 0.34 -0.83 0.03 -0.89 0.98 0.00 0.00 173.24 172.87 3gpi s THR 148 N -3.45 0.16 -0.09 2.02 2.01 -0.27 -4.41 115.64 111.61 3gpi s THR 148 Ca 0.04 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 3gpi s THR 148 Cb -0.01 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3gpi s THR 148 CO -0.09 0.22 0.50 -0.63 -0.69 0.00 0.00 174.62 173.93 3gpi s ILE 149 N 1.97 5.13 -0.36 1.82 1.01 -0.09 -1.00 121.20 129.67 3gpi s ILE 149 Ca 0.04 1.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.70 3gpi s ILE 149 Cb -0.12 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.60 3gpi s ILE 149 CO -0.04 0.35 0.11 -0.76 0.00 0.00 0.00 174.94 174.60 3gpi s LEU 150 N 0.39 4.77 -0.67 2.97 1.43 0.81 -1.10 118.68 127.28 3gpi s LEU 150 Ca 0.27 -1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.26 3gpi s LEU 150 Cb -0.16 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.38 3gpi s LEU 150 CO 0.12 -0.43 1.02 -0.13 0.23 0.00 0.00 176.35 177.16 3gpi s ARG 151 N 1.10 3.13 0.19 1.70 0.52 0.31 0.32 118.95 126.22 3gpi s ARG 151 Ca 0.05 -0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 3gpi s ARG 151 Cb -0.21 -4.21 -0.08 0.00 0.52 0.00 0.00 34.95 30.97 3gpi s ARG 151 CO -0.05 -1.85 0.95 -0.06 0.02 0.00 0.00 175.30 174.31 3gpi s PHE 152 N 4.34 3.91 0.00 -0.53 2.99 -0.87 -0.56 117.98 127.26 3gpi s PHE 152 Ca 0.25 1.87 0.00 0.00 0.00 0.00 0.00 56.93 59.04 3gpi s PHE 152 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 43.02 39.85 3gpi s PHE 152 CO 0.11 0.34 0.00 -1.13 -0.00 0.00 0.00 175.22 174.54 3gpi n SER 153 N 2.03 -0.08 -4.67 1.36 3.41 -0.67 -1.03 113.62 113.97 3gpi n SER 153 Ca -0.00 -0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 3gpi n SER 153 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3gpi n SER 153 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gpi s GLY 154 N -1.28 1.61 0.18 5.00 0.00 -0.97 -4.63 107.32 107.23 3gpi s GLY 154 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 44.72 45.27 3gpi s GLY 154 CO 0.00 2.84 1.05 -0.42 0.00 0.00 0.00 173.10 176.57 3gpi s ILE 155 N 3.60 3.99 0.16 0.90 1.01 -1.26 -1.21 121.20 128.39 3gpi s ILE 155 Ca 0.68 1.76 0.02 0.00 0.00 0.00 0.00 60.65 63.12 3gpi s ILE 155 Cb -0.31 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 3gpi s ILE 155 CO 0.26 0.33 -0.02 -0.72 0.00 0.00 0.00 174.94 174.79 3gpi s TYR 156 N -0.42 1.15 -5.00 3.97 -0.85 -0.74 -4.93 117.35 110.54 3gpi s TYR 156 Ca 0.47 -0.99 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3gpi s TYR 156 Cb -0.28 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.41 3gpi s TYR 156 CO 0.34 -0.19 0.00 0.41 -1.52 0.00 0.00 175.55 174.59 3gpi n GLY 157 N -0.20 -0.08 3.71 5.49 0.00 -1.17 -0.52 105.19 112.42 3gpi n GLY 157 Ca -0.08 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3gpi n GLY 157 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gpi n PRO 158 N 0.00 2.31 -0.82 1.61 -0.02 -1.26 -1.14 135.00 135.67 3gpi n PRO 158 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3gpi n PRO 158 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 3gpi n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpi n GLY 159 N 1.62 0.47 2.36 -1.23 0.00 -1.26 -4.85 105.19 102.30 3gpi n GLY 159 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3gpi n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpi n ARG 160 N -1.80 1.59 -0.63 1.61 1.74 -0.30 -4.94 116.66 113.94 3gpi n ARG 160 Ca 0.00 -3.84 0.05 0.00 -0.77 0.00 0.00 57.85 53.29 3gpi n ARG 160 Cb 0.05 -1.74 0.29 0.00 -1.02 0.00 0.00 32.46 30.04 3gpi n ARG 160 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gpi n LEU 161 N 0.71 4.51 -0.32 0.55 4.77 -1.25 -3.07 117.00 122.90 3gpi n LEU 161 Ca 0.26 -3.10 0.12 0.00 -0.03 0.00 0.00 56.01 53.25 3gpi n LEU 161 Cb 0.52 -0.60 0.29 0.00 -2.33 0.00 0.00 43.42 41.30 3gpi n LEU 161 CO 0.26 0.74 1.11 -0.09 -1.33 0.00 0.00 177.39 178.08 3gpi h ARG 162 N 2.22 0.55 -0.04 3.23 2.43 -1.94 -1.00 114.38 119.83 3gpi h ARG 162 Ca 0.05 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 3gpi h ARG 162 Cb 1.67 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 3gpi h ARG 162 CO 0.35 0.36 -0.54 0.52 -1.51 0.00 0.00 179.97 179.16 3gpi h MET 163 N 0.56 0.11 -0.54 0.20 2.86 -1.99 0.92 114.93 117.05 3gpi h MET 163 Ca 0.54 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 58.09 3gpi h MET 163 Cb 0.92 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3gpi h MET 163 CO -0.44 0.62 0.21 0.82 1.06 0.00 0.00 176.91 179.18 3gpi h ILE 164 N 0.08 1.22 -0.18 -1.22 2.04 -1.58 -0.67 117.51 117.20 3gpi h ILE 164 Ca -0.00 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3gpi h ILE 164 Cb 0.97 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3gpi h ILE 164 CO 0.08 0.26 -0.23 0.03 0.00 0.00 0.00 178.15 178.29 3gpi h ARG 165 N 0.74 0.47 -0.41 2.37 3.08 -1.03 -3.11 114.38 116.49 3gpi h ARG 165 Ca 0.18 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3gpi h ARG 165 Cb 0.21 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3gpi h ARG 165 CO -0.01 0.86 0.19 0.37 -1.07 0.00 0.00 179.97 180.30 3gpi h GLN 166 N 0.12 0.56 0.00 0.04 4.15 -0.73 -0.75 115.11 118.50 3gpi h GLN 166 Ca 0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3gpi h GLN 166 Cb 0.80 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3gpi h GLN 166 CO 0.05 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.40 3gpi h ALA 167 N 1.65 1.00 0.00 3.38 0.00 -1.05 -1.91 119.26 122.33 3gpi h ALA 167 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gpi h ALA 167 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gpi h ALA 167 CO -0.02 0.00 -0.08 1.04 0.00 0.00 0.00 179.25 180.19 3gpi n GLN 168 N -2.89 0.11 -3.58 0.00 6.02 -0.29 -4.40 117.38 112.36 3gpi n GLN 168 Ca -0.02 0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 3gpi n GLN 168 Cb 0.13 -1.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.68 3gpi n GLN 168 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3gpi n THR 169 N -1.79 0.54 0.30 5.09 -2.24 -0.72 -4.98 114.28 110.48 3gpi n THR 169 Ca 0.06 -4.35 0.16 0.00 -2.27 0.00 0.00 64.05 57.65 3gpi n THR 169 Cb 0.38 -1.97 0.92 0.00 -2.10 0.00 0.00 70.33 67.55 3gpi n THR 169 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3gpi h PRO 170 N 5.11 0.00 0.00 -0.78 0.11 -1.77 0.66 132.00 135.33 3gpi h PRO 170 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3gpi h PRO 170 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gpi h PRO 170 CO 0.59 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 179.34 3gpi h GLU 171 N 0.00 0.00 -0.59 1.05 3.07 -1.93 -2.51 114.58 113.67 3gpi h GLU 171 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gpi h GLU 171 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3gpi h GLU 171 CO 0.00 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.65 3gpi n GLN 172 N -2.76 2.64 -2.10 2.33 6.02 0.22 -4.98 117.38 118.75 3gpi n GLN 172 Ca -0.01 -2.48 -0.38 0.00 -0.01 0.00 0.00 57.00 54.13 3gpi n GLN 172 Cb 0.15 -1.52 0.01 0.00 1.02 0.00 0.00 30.24 29.90 3gpi n GLN 172 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3gpi s TRP 173 N -1.14 2.70 0.63 1.08 0.51 -0.95 -4.97 118.94 116.79 3gpi s TRP 173 Ca 0.43 1.48 -0.17 0.00 -2.12 0.00 0.00 56.10 55.72 3gpi s TRP 173 Cb 0.23 -3.52 -0.02 0.00 -0.81 0.00 0.00 33.47 29.35 3gpi s TRP 173 CO 0.31 -1.95 1.18 -1.25 -0.51 0.00 0.00 176.95 174.73 3gpi s PRO 174 N -2.72 2.80 0.17 4.98 0.04 -1.26 -4.93 135.00 134.07 3gpi s PRO 174 Ca 0.65 1.72 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 3gpi s PRO 174 Cb -0.33 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.33 3gpi s PRO 174 CO 0.40 -1.31 1.57 0.00 0.04 0.00 0.00 177.00 177.70 3gpi h ALA 175 N 0.52 0.73 -2.72 8.56 0.00 -2.00 -3.43 119.26 120.92 3gpi h ALA 175 Ca -0.49 -0.38 -0.56 0.00 0.00 0.00 0.00 54.91 53.48 3gpi h ALA 175 Cb 1.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3gpi h ALA 175 CO 0.54 0.67 0.04 0.50 0.00 0.00 0.00 179.25 181.00 3gpi s ARG 176 N -4.73 4.38 -1.07 0.00 3.52 -1.26 -4.90 118.95 114.89 3gpi s ARG 176 Ca -0.11 0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 56.26 3gpi s ARG 176 Cb 0.13 -3.36 0.29 0.00 -1.56 0.00 0.00 34.95 30.44 3gpi s ARG 176 CO 0.87 0.30 1.27 -1.71 -0.81 0.00 0.00 175.30 175.22 3gpi n ASN 177 N 2.89 5.84 -4.88 -2.12 5.15 -1.26 -4.91 115.26 115.97 3gpi n ASN 177 Ca -0.05 -3.24 -0.30 0.00 -0.60 0.00 0.00 54.58 50.39 3gpi n ASN 177 Cb 0.51 -1.28 -0.03 0.00 -0.53 0.00 0.00 39.78 38.44 3gpi n ASN 177 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gpi s ALA 178 N -2.08 3.38 0.43 5.20 0.00 -1.20 -1.52 121.76 125.98 3gpi s ALA 178 Ca 0.31 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 3gpi s ALA 178 Cb -0.02 -2.65 -0.09 0.00 0.00 0.00 0.00 23.12 20.36 3gpi s ALA 178 CO 0.01 0.02 1.45 0.91 0.00 0.00 0.00 175.76 178.15 3gpi n TRP 179 N -1.27 2.79 -4.66 0.00 7.02 -0.55 -0.83 117.44 119.94 3gpi n TRP 179 Ca 0.02 0.44 -0.23 0.00 -1.02 0.00 0.00 57.50 56.71 3gpi n TRP 179 Cb 0.54 -2.48 -0.15 0.00 -2.42 0.00 0.00 31.31 26.80 3gpi n TRP 179 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3gpi s THR 180 N -1.17 1.24 -0.01 -0.99 -4.23 0.56 -4.54 115.64 106.50 3gpi s THR 180 Ca 0.59 -0.76 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 3gpi s THR 180 Cb -0.46 -1.05 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 3gpi s THR 180 CO 0.59 0.28 -0.18 0.20 -0.54 0.00 0.00 174.62 174.98 3gpi s ASN 181 N -0.56 2.08 0.07 3.99 0.01 -1.26 -1.65 114.94 117.62 3gpi s ASN 181 Ca 0.05 -0.33 -0.06 0.00 -0.71 0.00 0.00 52.86 51.81 3gpi s ASN 181 Cb -0.06 -0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 3gpi s ASN 181 CO -0.00 0.21 0.12 0.00 -1.51 0.00 0.00 177.10 175.92 3gpi s ARG 182 N -0.45 0.75 -0.03 -0.60 1.70 -1.26 -2.29 118.95 116.78 3gpi s ARG 182 Ca 0.07 -1.01 -0.01 0.00 -0.47 0.00 0.00 55.73 54.31 3gpi s ARG 182 Cb -0.07 0.29 0.02 0.00 -0.57 0.00 0.00 34.95 34.62 3gpi s ARG 182 CO -0.01 -0.21 0.06 -1.50 -1.08 0.00 0.00 175.30 172.56 3gpi s ILE 183 N -3.73 -0.03 0.26 4.99 1.10 -0.35 -0.77 121.20 122.66 3gpi s ILE 183 Ca 0.04 0.13 -0.30 0.00 -0.51 0.00 0.00 60.65 60.02 3gpi s ILE 183 Cb 0.05 -0.11 -0.09 0.00 0.15 0.00 0.00 42.46 42.46 3gpi s ILE 183 CO -0.10 0.05 1.13 -2.28 -2.11 0.00 0.00 174.94 171.63 3gpi s HIS 184 N 0.69 3.53 0.30 3.50 5.65 -1.26 -1.78 115.29 125.91 3gpi s HIS 184 Ca -0.06 1.63 0.04 0.00 0.25 0.00 0.00 55.06 56.93 3gpi s HIS 184 Cb -0.08 -3.33 0.81 0.00 -1.18 0.00 0.00 32.58 28.80 3gpi s HIS 184 CO -0.02 -0.73 1.61 -0.09 -0.65 0.00 0.00 174.74 174.86 3gpi h ARG 185 N 4.15 0.12 -0.04 2.88 2.43 -1.17 -0.52 114.38 122.23 3gpi h ARG 185 Ca -0.46 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.56 3gpi h ARG 185 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3gpi h ARG 185 CO 0.69 0.08 -0.62 -0.44 -1.51 0.00 0.00 179.97 178.16 3gpi h ASP 186 N 0.12 0.18 -0.27 -3.80 3.32 -1.91 -1.26 116.42 112.80 3gpi h ASP 186 Ca 0.61 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.39 3gpi h ASP 186 Cb 1.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3gpi h ASP 186 CO -0.75 0.76 -0.42 0.44 -1.72 0.00 0.00 179.24 177.54 3gpi h ASP 187 N 0.12 0.88 -0.44 6.45 3.32 -1.53 -0.12 116.42 125.10 3gpi h ASP 187 Ca -0.01 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3gpi h ASP 187 Cb 1.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 3gpi h ASP 187 CO 0.09 1.18 0.28 1.23 -1.72 0.00 0.00 179.24 180.30 3gpi h GLY 188 N 0.85 0.61 0.83 2.75 0.00 -0.92 0.12 103.07 107.31 3gpi h GLY 188 Ca 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3gpi h GLY 188 CO 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 176.54 176.80 3gpi h ALA 189 N 1.17 0.31 -0.10 3.60 0.00 -1.23 -2.48 119.26 120.54 3gpi h ALA 189 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3gpi h ALA 189 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gpi h ALA 189 CO -0.05 0.08 -0.33 0.00 0.00 0.00 0.00 179.25 178.95 3gpi h ALA 190 N 0.77 1.27 -0.39 0.00 0.00 -0.89 -0.91 119.26 119.11 3gpi h ALA 190 Ca 0.06 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3gpi h ALA 190 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3gpi h ALA 190 CO 0.02 0.50 -0.16 0.35 0.00 0.00 0.00 179.25 179.96 3gpi h PHE 191 N 0.16 0.91 -0.73 0.00 3.57 -0.69 0.12 116.94 120.27 3gpi h PHE 191 Ca 0.02 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3gpi h PHE 191 Cb 0.67 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3gpi h PHE 191 CO 0.01 0.96 0.36 0.82 -2.23 0.00 0.00 178.31 178.23 3gpi h ILE 192 N 0.59 1.24 -0.67 1.41 2.04 -1.12 0.21 117.51 121.21 3gpi h ILE 192 Ca 0.09 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3gpi h ILE 192 Cb 0.71 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3gpi h ILE 192 CO 0.05 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.77 3gpi h ALA 193 N 1.18 1.25 -0.60 1.87 0.00 -0.97 -0.55 119.26 121.44 3gpi h ALA 193 Ca 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gpi h ALA 193 Cb 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3gpi h ALA 193 CO -0.03 0.56 0.20 -0.92 0.00 0.00 0.00 179.25 179.06 3gpi h TYR 194 N 0.96 0.94 -0.14 0.00 3.20 -0.19 -0.62 116.97 121.13 3gpi h TYR 194 Ca 0.23 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3gpi h TYR 194 Cb 0.15 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3gpi h TYR 194 CO 0.01 0.77 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.94 3gpi h LEU 195 N 0.84 0.27 -0.50 2.82 3.38 -0.31 -0.29 115.31 121.51 3gpi h LEU 195 Ca 0.19 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3gpi h LEU 195 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gpi h LEU 195 CO -0.01 0.56 -0.12 0.40 0.09 0.00 0.00 178.44 179.36 3gpi h ILE 196 N 0.24 1.27 -0.28 1.22 2.04 -0.67 0.48 117.51 121.80 3gpi h ILE 196 Ca 0.03 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 3gpi h ILE 196 Cb 0.65 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3gpi h ILE 196 CO 0.05 0.44 -0.06 -0.61 0.00 0.00 0.00 178.15 177.97 3gpi h GLN 197 N 0.82 0.45 0.00 2.37 4.15 -0.46 -3.06 115.11 119.39 3gpi h GLN 197 Ca 0.13 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 3gpi h GLN 197 Cb 0.68 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3gpi h GLN 197 CO 0.05 0.53 -0.82 1.96 -1.93 0.00 0.00 178.83 178.62 3gpi h GLN 198 N 0.43 0.00 -0.96 1.69 1.08 -0.79 -3.40 115.11 113.16 3gpi h GLN 198 Ca 0.09 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.46 3gpi h GLN 198 Cb 0.38 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.71 3gpi h GLN 198 CO 0.02 0.46 0.56 -0.09 -0.95 0.00 0.00 178.83 178.83 3gpi h ARG 199 N 0.00 0.73 0.00 1.46 9.65 -0.80 0.30 114.38 125.72 3gpi h ARG 199 Ca -0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3gpi h ARG 199 Cb 1.47 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 3gpi h ARG 199 CO 0.06 0.48 0.00 0.77 2.80 0.00 0.00 179.97 184.09 3gpi h SER 200 N 0.75 0.00 0.00 -3.80 0.02 -1.78 -3.38 113.55 105.37 3gpi h SER 200 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3gpi h SER 200 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3gpi h SER 200 CO -0.36 0.00 -0.36 1.41 -1.14 0.00 0.00 176.83 176.38 3gpi n HIS 201 N -2.94 0.00 -3.59 3.45 8.25 0.01 -4.92 115.22 115.48 3gpi n HIS 201 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3gpi n HIS 201 Cb 0.23 0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 3gpi n HIS 201 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gpi s ALA 202 N -1.81 3.42 0.12 -1.41 0.00 0.84 -5.07 121.76 117.85 3gpi s ALA 202 Ca 0.00 -2.68 -0.31 0.00 0.00 0.00 0.00 51.96 48.97 3gpi s ALA 202 Cb 0.00 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.23 3gpi s ALA 202 CO 0.00 -1.94 1.82 0.14 0.00 0.00 0.00 175.76 175.78 3gpi s VAL 203 N 1.08 2.54 0.63 0.00 -7.23 -1.26 -3.95 120.40 112.21 3gpi s VAL 203 Ca 0.08 0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 60.16 3gpi s VAL 203 Cb -0.24 -3.04 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 3gpi s VAL 203 CO -0.02 0.00 1.14 -2.16 -0.31 0.00 0.00 175.10 173.75 3gpi s PRO 204 N 2.68 2.87 0.98 4.82 0.04 -1.26 -5.03 135.00 140.10 3gpi s PRO 204 Ca 0.80 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 3gpi s PRO 204 Cb -0.46 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.32 3gpi s PRO 204 CO 0.36 -1.23 1.11 -1.21 0.04 0.00 0.00 177.00 176.07 3gpi s GLU 205 N -3.75 0.53 0.22 4.56 0.41 -1.26 -4.97 118.70 114.44 3gpi s GLU 205 Ca 0.71 1.32 0.26 0.00 -0.41 0.00 0.00 54.97 56.85 3gpi s GLU 205 Cb -0.24 -1.69 0.77 0.00 -1.78 0.00 0.00 34.13 31.19 3gpi s GLU 205 CO 0.37 -2.89 1.75 0.00 -0.49 0.00 0.00 175.26 174.00 3gpi h ARG 206 N -2.05 0.00 -2.42 1.61 3.08 -1.94 -3.41 114.38 109.26 3gpi h ARG 206 Ca -0.48 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 3gpi h ARG 206 Cb 1.29 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.09 3gpi h ARG 206 CO 0.45 0.00 -0.16 -1.17 -1.07 0.00 0.00 179.97 178.01 3gpi s LEU 207 N -4.62 -0.33 0.02 3.04 2.96 -1.26 -0.92 118.68 117.57 3gpi s LEU 207 Ca 0.10 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 3gpi s LEU 207 Cb 0.12 1.75 -0.01 0.00 0.50 0.00 0.00 46.19 48.55 3gpi s LEU 207 CO 0.61 -0.20 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.03 3gpi s TYR 208 N 1.23 0.79 -0.11 5.38 2.02 -0.26 -4.96 117.35 121.45 3gpi s TYR 208 Ca -0.08 -0.27 -0.26 0.00 -0.37 0.00 0.00 57.07 56.10 3gpi s TYR 208 Cb -0.06 -0.49 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 3gpi s TYR 208 CO -0.12 -0.02 0.82 0.42 -1.57 0.00 0.00 175.55 175.08 3gpi s ILE 209 N -0.62 4.92 -0.44 2.71 1.01 -1.26 -0.53 121.20 126.98 3gpi s ILE 209 Ca -0.01 1.66 -0.08 0.00 0.00 0.00 0.00 60.65 62.22 3gpi s ILE 209 Cb -0.06 -4.14 0.10 0.00 0.01 0.00 0.00 42.46 38.37 3gpi s ILE 209 CO 0.00 0.11 0.30 -0.69 0.00 0.00 0.00 174.94 174.66 3gpi s VAL 210 N 1.58 4.11 0.13 2.92 1.01 0.28 -4.58 120.40 125.85 3gpi s VAL 210 Ca 0.40 -1.67 -0.19 0.00 0.00 0.00 0.00 61.98 60.52 3gpi s VAL 210 Cb -0.18 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.61 3gpi s VAL 210 CO 0.17 -0.66 0.48 0.28 0.00 0.00 0.00 175.10 175.37 3gpi s THR 211 N 1.36 0.04 0.22 3.92 -1.32 -1.26 -1.67 115.64 116.92 3gpi s THR 211 Ca 0.05 -0.33 -0.02 0.00 -1.21 0.00 0.00 61.69 60.18 3gpi s THR 211 Cb -0.25 -1.09 0.05 0.00 -1.51 0.00 0.00 72.50 69.70 3gpi s THR 211 CO -0.00 -0.18 0.30 -0.90 -2.21 0.00 0.00 174.62 171.62 3gpi n ASP 212 N -0.24 0.19 0.07 8.08 5.68 0.05 -4.71 116.55 125.67 3gpi n ASP 212 Ca -0.17 -1.21 0.13 0.00 -0.50 0.00 0.00 54.79 53.04 3gpi n ASP 212 Cb 0.64 -0.21 0.48 0.00 -1.14 0.00 0.00 41.12 40.89 3gpi n ASP 212 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3gpi n ASN 213 N -3.09 0.51 -3.51 -1.12 3.02 -0.38 -4.63 115.26 106.06 3gpi n ASN 213 Ca 0.04 0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 54.86 3gpi n ASN 213 Cb 0.15 -0.69 -0.12 0.00 -0.61 0.00 0.00 39.78 38.51 3gpi n ASN 213 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gpi s GLN 214 N -3.08 0.84 0.65 3.52 -0.21 -1.26 -5.03 119.66 115.09 3gpi s GLN 214 Ca 0.11 -1.71 -0.17 0.00 0.02 0.00 0.00 55.36 53.61 3gpi s GLN 214 Cb 0.14 -1.59 -0.01 0.00 1.00 0.00 0.00 33.01 32.55 3gpi s GLN 214 CO 0.55 -1.25 1.23 -1.25 -2.12 0.00 0.00 175.29 172.46 3gpi s PRO 215 N 0.61 2.62 0.09 2.91 0.05 -1.26 -4.76 135.00 135.25 3gpi s PRO 215 Ca 0.22 1.86 -0.15 0.00 0.05 0.00 0.00 61.00 62.98 3gpi s PRO 215 Cb -0.16 -1.88 0.03 0.00 0.05 0.00 0.00 34.50 32.54 3gpi s PRO 215 CO -0.05 -1.49 0.36 -0.48 0.05 0.00 0.00 177.00 175.39 3gpi s LEU 216 N -4.48 0.62 0.45 -3.56 2.34 -0.66 -4.93 118.68 108.46 3gpi s LEU 216 Ca 0.78 -0.27 -0.24 0.00 0.06 0.00 0.00 54.13 54.45 3gpi s LEU 216 Cb -0.32 1.63 -0.08 0.00 -0.56 0.00 0.00 46.19 46.86 3gpi s LEU 216 CO 0.39 -0.75 1.31 -2.84 -1.06 0.00 0.00 176.35 173.39 3gpi s PRO 217 N -3.31 3.70 0.36 1.48 0.02 -1.26 -0.32 135.00 135.67 3gpi s PRO 217 Ca 0.00 2.14 0.04 0.00 0.02 0.00 0.00 61.00 63.20 3gpi s PRO 217 Cb 0.01 -2.57 0.71 0.00 0.02 0.00 0.00 34.50 32.67 3gpi s PRO 217 CO -0.08 -0.71 1.99 -0.24 -0.33 0.00 0.00 177.00 177.64 3gpi h VAL 218 N 2.10 1.09 -0.06 3.83 3.04 -1.24 -0.55 116.25 124.47 3gpi h VAL 218 Ca -0.50 -0.27 -0.08 0.00 -1.01 0.00 0.00 66.70 64.84 3gpi h VAL 218 Cb 1.26 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 3gpi h VAL 218 CO 0.61 0.14 -0.35 0.45 -1.01 0.00 0.00 177.57 177.41 3gpi h HIS 219 N 0.78 0.13 -0.40 3.17 3.86 -1.90 -0.22 115.15 120.56 3gpi h HIS 219 Ca 0.26 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.32 3gpi h HIS 219 Cb 0.07 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3gpi h HIS 219 CO -0.00 0.45 -0.25 -0.44 0.86 0.00 0.00 177.93 178.55 3gpi h ASP 220 N 0.10 0.84 -0.26 2.45 3.32 -1.47 -0.83 116.42 120.57 3gpi h ASP 220 Ca 0.01 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 3gpi h ASP 220 Cb 0.67 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3gpi h ASP 220 CO 0.05 1.05 -0.07 0.25 -1.72 0.00 0.00 179.24 178.80 3gpi h LEU 221 N 0.71 0.51 -0.69 1.55 5.85 -1.15 -1.58 115.31 120.50 3gpi h LEU 221 Ca 0.09 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3gpi h LEU 221 Cb 0.78 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3gpi h LEU 221 CO 0.06 0.77 0.31 -0.07 -0.34 0.00 0.00 178.44 179.16 3gpi h LEU 222 N 0.26 0.93 -0.64 2.25 3.38 -0.98 -0.30 115.31 120.21 3gpi h LEU 222 Ca 0.07 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3gpi h LEU 222 Cb 0.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gpi h LEU 222 CO 0.03 0.83 -0.15 0.03 0.09 0.00 0.00 178.44 179.26 3gpi h ARG 223 N 0.98 0.91 -0.40 1.13 3.08 -1.11 0.10 114.38 119.07 3gpi h ARG 223 Ca 0.24 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3gpi h ARG 223 Cb 0.17 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3gpi h ARG 223 CO -0.02 1.00 0.14 2.35 -1.07 0.00 0.00 179.97 182.37 3gpi h TRP 224 N 0.80 0.63 -0.36 3.04 7.01 -0.87 0.85 115.95 127.05 3gpi h TRP 224 Ca 0.12 -0.06 -0.08 0.00 2.11 0.00 0.00 58.89 60.99 3gpi h TRP 224 Cb 0.69 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 3gpi h TRP 224 CO 0.04 0.57 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.09 3gpi h LEU 225 N 0.50 0.60 -0.37 0.65 3.38 -0.88 -2.20 115.31 117.00 3gpi h LEU 225 Ca 0.13 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3gpi h LEU 225 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3gpi h LEU 225 CO -0.01 0.74 -0.14 0.00 0.09 0.00 0.00 178.44 179.12 3gpi h ALA 226 N 1.32 0.51 -0.87 1.53 0.00 -0.44 -2.71 119.26 118.60 3gpi h ALA 226 Ca 0.10 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3gpi h ALA 226 Cb 0.51 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3gpi h ALA 226 CO 0.03 0.42 0.56 -0.44 0.00 0.00 0.00 179.25 179.82 3gpi h ASP 227 N 0.54 0.93 0.69 0.00 3.32 -0.58 -1.40 116.42 119.92 3gpi h ASP 227 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3gpi h ASP 227 Cb 0.68 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3gpi h ASP 227 CO 0.05 0.64 -0.01 0.54 -1.72 0.00 0.00 179.24 178.73 3gpi n ARG 228 N -4.54 0.31 -0.15 3.56 1.74 -0.85 -3.12 116.66 113.60 3gpi n ARG 228 Ca 0.11 -0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.23 3gpi n ARG 228 Cb 0.10 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.17 3gpi n ARG 228 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gpi n GLN 229 N -1.34 2.86 -3.23 5.56 6.02 -0.63 -4.99 117.38 121.62 3gpi n GLN 229 Ca 0.12 -1.98 -0.18 0.00 -0.01 0.00 0.00 57.00 54.96 3gpi n GLN 229 Cb 0.27 -1.24 0.05 0.00 1.02 0.00 0.00 30.24 30.35 3gpi n GLN 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gpi n GLY 230 N 0.40 -0.17 3.59 1.08 0.00 -0.91 -4.99 105.19 104.19 3gpi n GLY 230 Ca 0.10 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3gpi n GLY 230 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpi s ILE 231 N -3.20 4.94 0.27 -0.61 -1.09 -0.62 -5.06 121.20 115.82 3gpi s ILE 231 Ca 0.40 0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.57 3gpi s ILE 231 Cb -0.18 -3.29 -0.09 0.00 -1.58 0.00 0.00 42.46 37.32 3gpi s ILE 231 CO 0.50 0.36 0.97 0.00 -1.23 0.00 0.00 174.94 175.53 3gpi s ALA 232 N 1.13 3.32 0.21 9.38 0.00 -1.26 -4.57 121.76 129.96 3gpi s ALA 232 Ca 0.06 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 3gpi s ALA 232 Cb -0.14 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3gpi s ALA 232 CO 0.04 0.14 0.48 1.52 0.00 0.00 0.00 175.76 177.94 3gpi s TYR 233 N -1.27 0.09 0.14 0.00 -0.85 -1.26 -4.80 117.35 109.39 3gpi s TYR 233 Ca 0.44 -0.44 -0.30 0.00 -0.52 0.00 0.00 57.07 56.24 3gpi s TYR 233 Cb -0.25 0.28 -0.07 0.00 0.38 0.00 0.00 41.96 42.30 3gpi s TYR 233 CO 0.32 -0.92 1.08 -1.25 -1.52 0.00 0.00 175.55 173.26 3gpi s PRO 234 N -3.93 4.59 0.67 -3.49 0.04 -1.26 -5.00 135.00 126.62 3gpi s PRO 234 Ca 0.14 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 3gpi s PRO 234 Cb -0.00 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3gpi s PRO 234 CO 0.01 0.05 1.24 0.00 0.04 0.00 0.00 177.00 178.33 3gpi s ALA 235 N 0.07 2.31 0.00 8.56 0.00 -1.26 -4.94 121.76 126.51 3gpi s ALA 235 Ca 0.50 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3gpi s ALA 235 Cb -0.28 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3gpi s ALA 235 CO 0.33 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.89 3gpi n GLY 236 N 0.60 1.87 3.75 0.00 0.00 -1.26 -5.10 105.19 105.05 3gpi n GLY 236 Ca 0.14 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 3gpi n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpi n ALA 237 N -1.41 1.87 -1.45 4.61 0.00 -1.26 -5.03 120.51 117.85 3gpi n ALA 237 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 3gpi n ALA 237 Cb 0.00 -2.37 0.11 0.00 0.00 0.00 0.00 19.45 17.19 3gpi n ALA 237 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gpi s THR 238 N -1.21 2.79 0.75 0.00 -4.23 -1.26 -5.03 115.64 107.45 3gpi s THR 238 Ca 0.63 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 61.25 3gpi s THR 238 Cb -0.45 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.52 3gpi s THR 238 CO 0.56 -0.33 1.22 -2.84 -0.54 0.00 0.00 174.62 172.69 3gpi s PRO 239 N -5.11 1.96 0.27 3.99 0.02 -1.26 -4.90 135.00 129.97 3gpi s PRO 239 Ca 0.62 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 63.16 3gpi s PRO 239 Cb -0.16 -1.81 -0.14 0.00 0.02 0.00 0.00 34.50 32.41 3gpi s PRO 239 CO 0.55 -1.98 1.03 -0.35 -0.33 0.00 0.00 177.00 175.92 3gpi n PRO 240 N -2.87 1.30 -2.47 5.54 -0.04 -1.26 -4.82 135.00 130.38 3gpi n PRO 240 Ca 0.14 0.46 -0.43 0.00 -0.04 0.00 0.00 63.50 63.63 3gpi n PRO 240 Cb 0.50 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 3gpi n PRO 240 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gpi s VAL 241 N -0.89 4.31 -0.29 0.52 1.01 -1.26 -4.18 120.40 119.63 3gpi s VAL 241 Ca 0.61 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.98 3gpi s VAL 241 Cb -0.73 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 31.64 3gpi s VAL 241 CO 0.58 -0.28 0.87 -1.58 0.00 0.00 0.00 175.10 174.69 3gpi s GLN 242 N 3.69 0.50 0.00 2.72 -0.44 -0.57 -5.03 119.66 120.53 3gpi s GLN 242 Ca 0.53 0.87 0.00 0.00 -2.50 0.00 0.00 55.36 54.26 3gpi s GLN 242 Cb -0.18 0.10 0.00 0.00 -1.64 0.00 0.00 33.01 31.29 3gpi s GLN 242 CO 0.16 -0.11 0.00 0.41 0.50 0.00 0.00 175.29 176.26 3gpi n GLY 243 N 3.92 3.52 7.00 2.59 0.00 -1.26 -3.22 105.19 117.74 3gpi n GLY 243 Ca -0.19 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3gpi n GLY 243 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gpi n ASN 244 N 0.00 0.00 -3.58 1.61 5.15 -1.26 -1.49 115.26 115.69 3gpi n ASN 244 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 3gpi n ASN 244 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 3gpi n ASN 244 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3gpi s LYS 245 N 0.00 1.77 -0.11 1.20 0.00 -1.26 -1.50 119.74 119.85 3gpi s LYS 245 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 55.97 54.91 3gpi s LYS 245 Cb 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 37.83 38.36 3gpi s LYS 245 CO 0.00 -0.82 -0.02 0.15 0.00 0.00 0.00 175.35 174.66 3gpi s LYS 246 N -3.31 3.18 -0.15 1.78 1.02 -0.92 -4.62 119.74 116.72 3gpi s LYS 246 Ca 0.13 -0.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 3gpi s LYS 246 Cb -0.05 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.45 3gpi s LYS 246 CO 0.07 0.54 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.43 3gpi s LEU 247 N -0.44 2.80 -0.01 3.17 1.43 -1.26 -0.76 118.68 123.61 3gpi s LEU 247 Ca 0.07 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.61 3gpi s LEU 247 Cb -0.12 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3gpi s LEU 247 CO 0.02 0.12 0.73 -0.55 0.23 0.00 0.00 176.35 176.91 3gpi s SER 248 N 0.60 7.10 -0.42 2.29 0.15 -0.31 -4.85 113.70 118.26 3gpi s SER 248 Ca -0.06 1.32 0.05 0.00 0.70 0.00 0.00 55.95 57.96 3gpi s SER 248 Cb -0.15 -2.44 0.68 0.00 -1.71 0.00 0.00 66.02 62.39 3gpi s SER 248 CO 0.03 -0.05 1.87 -0.46 1.20 0.00 0.00 173.24 175.83 3gpi n ASN 249 N 3.28 3.89 -0.18 5.45 6.94 -1.26 -4.71 115.26 128.66 3gpi n ASN 249 Ca -0.02 -3.55 -0.02 0.00 -0.02 0.00 0.00 54.58 50.98 3gpi n ASN 249 Cb 0.51 -0.81 0.09 0.00 -2.36 0.00 0.00 39.78 37.20 3gpi n ASN 249 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gpi h ALA 250 N 1.33 0.71 -0.60 -2.53 0.00 -1.93 -1.20 119.26 115.03 3gpi h ALA 250 Ca 0.54 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 3gpi h ALA 250 Cb 2.70 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 20.50 3gpi h ALA 250 CO 1.00 -0.19 0.18 0.00 0.00 0.00 0.00 179.25 180.24 3gpi h ARG 251 N 0.40 0.94 -0.64 0.00 3.08 -1.92 -0.25 114.38 115.99 3gpi h ARG 251 Ca 0.27 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3gpi h ARG 251 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3gpi h ARG 251 CO -0.27 0.85 0.43 1.25 -1.07 0.00 0.00 179.97 181.15 3gpi h LEU 252 N 0.86 0.73 -0.75 3.04 6.46 -1.64 -1.82 115.31 122.19 3gpi h LEU 252 Ca 0.19 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 3gpi h LEU 252 Cb 0.31 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 3gpi h LEU 252 CO -0.00 0.53 0.21 -0.07 -0.62 0.00 0.00 178.44 178.49 3gpi h LEU 253 N 0.87 1.09 -0.95 2.25 3.38 -1.00 -2.50 115.31 118.44 3gpi h LEU 253 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gpi h LEU 253 Cb -0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.37 3gpi h LEU 253 CO -0.05 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.50 3gpi h ALA 254 N 1.12 1.00 0.00 1.53 0.00 -0.33 -1.58 119.26 121.00 3gpi h ALA 254 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gpi h ALA 254 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gpi h ALA 254 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3gpi h SER 255 N 0.00 0.00 0.00 0.00 4.64 -0.88 -3.46 113.55 113.85 3gpi h SER 255 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpi h SER 255 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3gpi h SER 255 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gpi n GLY 256 N 0.54 0.58 3.76 -0.77 0.00 -0.60 -5.05 105.19 103.65 3gpi n GLY 256 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3gpi n GLY 256 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gpi s TYR 257 N -2.26 2.91 -0.29 1.61 5.04 -1.25 -4.99 117.35 118.12 3gpi s TYR 257 Ca 0.00 1.13 -0.08 0.00 -2.44 0.00 0.00 57.07 55.68 3gpi s TYR 257 Cb 0.00 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.46 3gpi s TYR 257 CO 0.00 -2.62 0.10 -0.65 -1.34 0.00 0.00 175.55 171.03 3gpi s GLN 258 N -1.09 3.22 0.25 4.97 -0.21 -1.26 -4.70 119.66 120.85 3gpi s GLN 258 Ca 0.56 -0.78 -0.31 0.00 0.02 0.00 0.00 55.36 54.85 3gpi s GLN 258 Cb -0.43 -3.41 -0.11 0.00 1.00 0.00 0.00 33.01 30.06 3gpi s GLN 258 CO 0.50 -0.41 1.61 -0.51 -2.12 0.00 0.00 175.29 174.37 3gpi s LEU 259 N 1.54 4.36 0.11 2.90 1.43 -1.26 -4.90 118.68 122.86 3gpi s LEU 259 Ca 0.04 2.87 -0.14 0.00 -1.03 0.00 0.00 54.13 55.86 3gpi s LEU 259 Cb -0.17 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 3gpi s LEU 259 CO 0.03 -0.90 1.46 0.40 0.23 0.00 0.00 176.35 177.57 3gpi h ILE 260 N 3.58 1.29 -3.10 -0.59 2.04 -1.95 -3.38 117.51 115.39 3gpi h ILE 260 Ca -0.45 -1.39 -0.62 0.00 1.00 0.00 0.00 64.86 63.39 3gpi h ILE 260 Cb 1.21 1.45 -0.41 0.00 -0.74 0.00 0.00 36.82 38.33 3gpi h ILE 260 CO 0.85 0.45 -0.67 -0.31 0.00 0.00 0.00 178.15 178.47 3gpi s TYR 261 N -4.49 2.81 0.55 1.37 2.02 -1.26 -4.96 117.35 113.38 3gpi s TYR 261 Ca -0.12 -2.95 0.28 0.00 -0.37 0.00 0.00 57.07 53.91 3gpi s TYR 261 Cb 0.09 -2.38 1.71 0.00 -0.40 0.00 0.00 41.96 40.98 3gpi s TYR 261 CO 0.83 -0.70 2.21 -1.35 -1.57 0.00 0.00 175.55 174.97 3gpi h PRO 262 N 6.15 0.00 -3.40 -1.71 0.11 -1.97 -3.45 132.00 127.73 3gpi h PRO 262 Ca 0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 3gpi h PRO 262 Cb 0.86 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.92 3gpi h PRO 262 CO 0.62 0.03 0.07 0.16 -0.21 0.00 0.00 178.00 178.67 3gpi s ASP 263 N -6.22 0.14 0.49 -2.05 1.47 -1.26 -1.25 116.67 107.99 3gpi s ASP 263 Ca -0.05 -1.07 0.19 0.00 1.18 0.00 0.00 52.55 52.80 3gpi s ASP 263 Cb 0.15 0.73 1.23 0.00 -0.34 0.00 0.00 42.92 44.68 3gpi s ASP 263 CO 0.56 -1.41 2.07 0.10 0.68 0.00 0.00 175.17 177.17 3gpi h TYR 264 N 2.08 0.00 -0.38 2.11 -0.00 -1.87 -2.29 116.97 116.63 3gpi h TYR 264 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.45 3gpi h TYR 264 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.96 3gpi h TYR 264 CO 0.99 0.11 0.23 0.28 -0.00 0.00 0.00 178.16 179.77 3gpi h VAL 265 N 0.00 1.13 0.07 -0.90 2.07 -1.97 0.12 116.25 116.77 3gpi h VAL 265 Ca -0.00 -0.30 -0.27 0.00 0.82 0.00 0.00 66.70 66.96 3gpi h VAL 265 Cb 0.22 0.64 0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3gpi h VAL 265 CO 0.01 0.13 -1.08 0.77 0.02 0.00 0.00 177.57 177.42 3gpi h SER 266 N 0.49 0.83 0.16 0.57 4.64 -1.82 -0.78 113.55 117.64 3gpi h SER 266 Ca 0.14 -0.80 -0.01 0.00 -0.47 0.00 0.00 61.79 60.65 3gpi h SER 266 Cb 0.01 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 3gpi h SER 266 CO -0.02 1.53 -0.07 1.23 -0.87 0.00 0.00 176.83 178.62 3gpi h GLY 267 N 0.23 -0.22 1.80 -0.77 0.00 -1.38 -1.46 103.07 101.28 3gpi h GLY 267 Ca -0.16 0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 3gpi h GLY 267 CO 0.21 -0.08 -0.50 -0.97 0.00 0.00 0.00 176.54 175.20 3gpi h TYR 268 N -0.54 0.26 -0.54 5.60 0.05 -0.89 -2.27 116.97 118.64 3gpi h TYR 268 Ca -0.02 -0.08 0.11 0.00 0.05 0.00 0.00 58.73 58.78 3gpi h TYR 268 Cb 0.41 -0.05 -0.09 0.00 1.01 0.00 0.00 36.73 38.01 3gpi h TYR 268 CO 0.03 0.67 0.03 0.78 -1.05 0.00 0.00 178.16 178.62 3gpi h GLY 269 N 1.36 0.59 1.85 3.88 0.00 -1.08 -0.96 103.07 108.72 3gpi h GLY 269 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3gpi h GLY 269 CO 0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 176.54 176.21 3gpi h ALA 270 N 1.48 1.38 0.13 3.60 0.00 -0.88 -2.19 119.26 122.78 3gpi h ALA 270 Ca 0.28 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3gpi h ALA 270 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gpi h ALA 270 CO -0.44 0.44 -1.43 -0.07 0.00 0.00 0.00 179.25 177.75 3gpi h LEU 271 N 0.16 0.43 -0.24 0.00 3.38 -0.84 -2.10 115.31 116.11 3gpi h LEU 271 Ca 0.03 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 3gpi h LEU 271 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3gpi h LEU 271 CO 0.04 1.44 0.13 -0.07 0.09 0.00 0.00 178.44 180.06 3gpi h LEU 272 N 0.08 0.30 -1.14 1.67 3.38 -1.15 -1.18 115.31 117.25 3gpi h LEU 272 Ca -0.21 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3gpi h LEU 272 Cb 2.01 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.63 3gpi h LEU 272 CO 0.18 0.30 0.59 0.00 0.09 0.00 0.00 178.44 179.60 3gpi h ALA 273 N 1.01 1.49 0.12 1.53 0.00 -1.27 -2.77 119.26 119.37 3gpi h ALA 273 Ca 0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3gpi h ALA 273 Cb 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 17.60 3gpi h ALA 273 CO -0.01 0.39 -1.05 0.00 0.00 0.00 0.00 179.25 178.58 3gpi h ALA 274 N 1.50 -0.04 0.00 0.00 0.00 -1.15 -3.22 119.26 116.35 3gpi h ALA 274 Ca 0.38 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3gpi h ALA 274 Cb 0.14 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gpi h ALA 274 CO -0.13 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 3gpi h MET 275 N 0.03 0.00 0.00 0.00 -0.00 -1.11 -0.58 114.93 113.27 3gpi h MET 275 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.53 3gpi h MET 275 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.37 3gpi h MET 275 CO 0.20 0.13 0.00 0.54 -0.00 0.00 0.00 176.91 177.78 3gpi n ARG 276 N -3.95 0.68 -0.44 -0.10 1.74 -1.05 -5.11 116.66 108.43 3gpi n ARG 276 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3gpi n ARG 276 Cb 0.22 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3gpi n ARG 276 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50