#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ode s VAL 2 N 0.00 2.27 -0.04 2.03 1.01 -1.26 -1.19 120.40 123.22 1ode s VAL 2 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ode s VAL 2 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1ode s VAL 2 CO 0.00 0.56 -0.14 -0.13 0.00 0.00 0.00 175.10 175.39 1ode s ARG 3 N 0.03 1.51 0.30 2.72 1.81 0.07 -4.93 118.95 120.45 1ode s ARG 3 Ca -0.08 -0.48 -0.18 0.00 -1.72 0.00 0.00 55.73 53.27 1ode s ARG 3 Cb -0.15 -1.33 -0.09 0.00 -0.45 0.00 0.00 34.95 32.93 1ode s ARG 3 CO 0.05 0.17 0.76 0.20 -0.68 0.00 0.00 175.30 175.80 1ode s GLY 4 N 0.18 2.46 -0.13 -3.53 0.00 -1.26 -0.51 107.32 104.53 1ode s GLY 4 Ca -0.05 0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.83 1ode s GLY 4 CO 0.02 0.41 -0.21 -0.42 0.00 0.00 0.00 173.10 172.89 1ode s ILE 5 N -1.82 1.94 0.00 0.90 1.01 0.91 -4.93 121.20 119.22 1ode s ILE 5 Ca 0.51 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1ode s ILE 5 Cb -0.13 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1ode s ILE 5 CO 0.19 0.53 0.17 -0.13 0.00 0.00 0.00 174.94 175.69 1ode s ARG 6 N 0.76 3.37 0.04 2.79 1.81 -1.26 -1.06 118.95 125.41 1ode s ARG 6 Ca -0.09 -0.37 -0.10 0.00 -1.72 0.00 0.00 55.73 53.45 1ode s ARG 6 Cb -0.16 -3.05 0.01 0.00 -0.45 0.00 0.00 34.95 31.30 1ode s ARG 6 CO 0.00 0.66 0.21 0.20 -0.68 0.00 0.00 175.30 175.69 1ode s GLY 7 N -2.01 0.00 -0.17 -3.53 0.00 -0.55 -1.28 107.32 99.79 1ode s GLY 7 Ca 0.28 -0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.53 1ode s GLY 7 CO 0.20 -0.39 0.65 0.00 0.00 0.00 0.00 173.10 173.55 1ode s ALA 8 N -2.49 -1.65 -0.02 3.20 0.00 -0.16 -0.95 121.76 119.69 1ode s ALA 8 Ca -0.06 1.62 -0.24 0.00 0.00 0.00 0.00 51.96 53.29 1ode s ALA 8 Cb -0.01 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.48 1ode s ALA 8 CO -0.03 -0.33 0.52 -1.50 0.00 0.00 0.00 175.76 174.41 1ode s ILE 9 N -0.24 0.03 0.23 0.00 2.07 -0.59 -0.95 121.20 121.74 1ode s ILE 9 Ca -0.04 -0.22 0.06 0.00 -1.41 0.00 0.00 60.65 59.04 1ode s ILE 9 Cb -0.03 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 1ode s ILE 9 CO 0.04 -0.12 0.25 0.42 -1.91 0.00 0.00 174.94 173.62 1ode s THR 10 N -1.45 4.79 -0.01 4.00 -4.23 -1.25 -0.86 115.64 116.62 1ode s THR 10 Ca -0.11 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1ode s THR 10 Cb -0.02 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1ode s THR 10 CO 0.06 -0.31 -0.15 0.54 -0.54 0.00 0.00 174.62 174.23 1ode s VAL 11 N -2.03 1.15 0.37 2.29 0.11 -0.86 -4.87 120.40 116.57 1ode s VAL 11 Ca 0.33 -0.64 0.14 0.00 -2.93 0.00 0.00 61.98 58.89 1ode s VAL 11 Cb -0.09 -0.96 0.11 0.00 -1.53 0.00 0.00 36.38 33.92 1ode s VAL 11 CO 0.26 0.31 1.85 -0.33 -3.33 0.00 0.00 175.10 173.87 1ode h GLU 12 N 5.75 0.00 -3.37 1.54 5.08 -1.93 -3.45 114.58 118.20 1ode h GLU 12 Ca -0.35 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1ode h GLU 12 Cb 1.16 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 1ode h GLU 12 CO 0.49 0.34 -0.03 -1.83 -1.00 0.00 0.00 179.01 176.98 1ode s GLU 13 N -4.21 1.23 -1.15 2.33 -1.05 -1.26 -5.09 118.70 109.51 1ode s GLU 13 Ca -0.03 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 53.81 1ode s GLU 13 Cb 0.14 0.49 0.12 0.00 -0.44 0.00 0.00 34.13 34.45 1ode s GLU 13 CO 0.71 -0.51 1.45 0.34 0.95 0.00 0.00 175.26 178.21 1ode s ASP 14 N -2.85 6.84 0.02 0.83 2.15 -1.26 -4.63 116.67 117.76 1ode s ASP 14 Ca 0.07 -2.44 -0.01 0.00 0.43 0.00 0.00 52.55 50.60 1ode s ASP 14 Cb 0.00 -2.47 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1ode s ASP 14 CO -0.07 -1.03 -0.01 0.42 -0.17 0.00 0.00 175.17 174.31 1ode s THR 15 N 2.95 0.10 0.22 1.71 -4.23 -1.26 -4.73 115.64 110.41 1ode s THR 15 Ca 0.44 -0.83 -0.07 0.00 -1.18 0.00 0.00 61.69 60.05 1ode s THR 15 Cb -0.01 -0.26 0.17 0.00 1.34 0.00 0.00 72.50 73.74 1ode s THR 15 CO -0.01 -0.46 1.82 -0.65 -0.54 0.00 0.00 174.62 174.78 1ode h PRO 16 N 4.72 0.76 -0.52 3.99 0.11 -1.92 -1.20 132.00 137.94 1ode h PRO 16 Ca -0.31 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.78 1ode h PRO 16 Cb 1.21 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1ode h PRO 16 CO 0.42 0.50 0.30 0.93 -0.21 0.00 0.00 178.00 179.94 1ode h GLU 17 N 0.78 0.57 -0.29 1.05 3.07 -1.97 0.22 114.58 118.02 1ode h GLU 17 Ca 0.33 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 1ode h GLU 17 Cb 0.20 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1ode h GLU 17 CO -0.19 0.38 -0.17 0.00 -1.40 0.00 0.00 179.01 177.63 1ode h ALA 18 N 1.24 0.41 -0.20 3.43 0.00 -1.78 -1.30 119.26 121.06 1ode h ALA 18 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ode h ALA 18 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ode h ALA 18 CO -0.11 0.32 0.08 0.82 0.00 0.00 0.00 179.25 180.37 1ode h ILE 19 N 0.37 1.16 -0.47 0.00 2.04 -1.03 -1.77 117.51 117.81 1ode h ILE 19 Ca 0.06 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1ode h ILE 19 Cb 0.70 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1ode h ILE 19 CO 0.05 0.16 -0.08 0.45 0.00 0.00 0.00 178.15 178.72 1ode h HIS 20 N 0.18 0.92 -0.34 1.37 3.86 -0.96 -0.79 115.15 119.39 1ode h HIS 20 Ca 0.07 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.06 1ode h HIS 20 Cb 0.18 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1ode h HIS 20 CO -0.01 0.88 0.01 0.37 0.86 0.00 0.00 177.93 180.04 1ode h GLN 21 N 0.76 0.59 -0.55 2.45 -0.00 -1.15 -0.80 115.11 116.42 1ode h GLN 21 Ca 0.13 -0.18 -0.06 0.00 -0.00 0.00 0.00 58.65 58.54 1ode h GLN 21 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.98 1ode h GLN 21 CO 0.04 0.71 0.12 0.00 0.00 0.00 0.00 178.83 179.70 1ode h ALA 22 N 0.86 0.72 -0.55 3.38 0.00 -1.19 -1.73 119.26 120.75 1ode h ALA 22 Ca 0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ode h ALA 22 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ode h ALA 22 CO 0.02 0.43 0.01 1.15 0.00 0.00 0.00 179.25 180.86 1ode h THR 23 N 0.78 1.26 -0.44 0.00 2.02 -1.05 -1.03 112.91 114.45 1ode h THR 23 Ca 0.17 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1ode h THR 23 Cb 0.36 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1ode h THR 23 CO 0.00 0.39 0.27 0.03 0.37 0.00 0.00 175.52 176.58 1ode h ARG 24 N 0.84 0.60 -0.18 6.66 3.08 -1.00 -0.29 114.38 124.09 1ode h ARG 24 Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ode h ARG 24 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ode h ARG 24 CO 0.03 0.44 0.11 1.49 -1.07 0.00 0.00 179.97 180.97 1ode h GLU 25 N 0.59 0.25 -0.14 0.04 4.81 -1.10 -1.71 114.58 117.32 1ode h GLU 25 Ca 0.16 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1ode h GLU 25 Cb -0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ode h GLU 25 CO -0.03 0.20 0.06 1.25 -0.73 0.00 0.00 179.01 179.76 1ode h LEU 26 N 0.22 0.18 -0.28 1.64 5.85 -0.99 -1.45 115.31 120.49 1ode h LEU 26 Ca 0.07 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ode h LEU 26 Cb 0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1ode h LEU 26 CO -0.01 0.28 0.11 -0.07 -0.34 0.00 0.00 178.44 178.40 1ode h LEU 27 N 0.08 0.13 -0.64 2.25 3.38 -0.98 0.88 115.31 120.41 1ode h LEU 27 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ode h LEU 27 Cb 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1ode h LEU 27 CO -0.00 0.11 0.40 -0.07 0.09 0.00 0.00 178.44 178.97 1ode h LEU 28 N 0.24 0.75 -0.95 1.67 3.38 -1.25 -2.31 115.31 116.83 1ode h LEU 28 Ca 0.12 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1ode h LEU 28 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ode h LEU 28 CO -0.12 0.57 0.02 0.50 0.09 0.00 0.00 178.44 179.50 1ode h LYS 29 N 0.86 0.78 -0.74 1.13 1.63 -0.72 -0.98 116.57 118.53 1ode h LYS 29 Ca 0.23 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 1ode h LYS 29 Cb -0.06 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 1ode h LYS 29 CO -0.05 0.78 0.21 0.52 -3.45 0.00 0.00 179.45 177.47 1ode h MET 30 N 0.74 1.16 -0.11 1.90 2.86 -0.37 -1.30 114.93 119.80 1ode h MET 30 Ca 0.15 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 1ode h MET 30 Cb 0.42 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1ode h MET 30 CO 0.02 1.00 -0.28 -0.07 1.06 0.00 0.00 176.91 178.63 1ode h LEU 31 N 1.11 0.44 -0.25 1.22 3.38 -1.17 -3.13 115.31 116.91 1ode h LEU 31 Ca 0.24 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1ode h LEU 31 Cb 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1ode h LEU 31 CO -0.00 0.94 0.10 -0.08 0.09 0.00 0.00 178.44 179.49 1ode h GLU 32 N -0.04 0.21 -0.10 1.13 4.81 -1.12 -0.09 114.58 119.37 1ode h GLU 32 Ca -0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1ode h GLU 32 Cb 0.89 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1ode h GLU 32 CO 0.06 0.14 0.14 0.00 -0.73 0.00 0.00 179.01 178.62 1ode h ALA 33 N 1.15 1.59 -0.35 2.92 0.00 -1.29 -1.50 119.26 121.78 1ode h ALA 33 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ode h ALA 33 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ode h ALA 33 CO -0.10 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.04 1ode n ASN 34 N -3.63 3.28 -2.44 0.00 3.02 -0.76 -4.73 115.26 110.00 1ode n ASN 34 Ca -0.00 -2.28 -0.20 0.00 -0.03 0.00 0.00 54.58 52.06 1ode n ASN 34 Cb 0.24 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1ode n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ode n GLY 35 N 0.31 -0.47 3.52 7.41 0.00 -0.57 -4.96 105.19 110.44 1ode n GLY 35 Ca 0.15 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1ode n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ode s ILE 36 N -3.04 4.85 -1.88 -0.61 1.01 -0.14 -4.90 121.20 116.50 1ode s ILE 36 Ca 0.07 0.13 0.23 0.00 0.00 0.00 0.00 60.65 61.07 1ode s ILE 36 Cb -0.03 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ode s ILE 36 CO 0.08 -0.56 1.09 0.00 0.00 0.00 0.00 174.94 175.55 1ode n GLN 37 N 6.20 1.02 -4.09 2.79 3.00 -1.26 -4.51 117.38 120.53 1ode n GLN 37 Ca -0.02 -0.83 -0.14 0.00 -0.01 0.00 0.00 57.00 56.00 1ode n GLN 37 Cb 0.48 -1.48 -0.12 0.00 0.00 0.00 0.00 30.24 29.12 1ode n GLN 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ode s SER 38 N -2.56 0.96 0.00 1.08 0.15 -1.26 -5.04 113.70 107.03 1ode s SER 38 Ca 0.17 -0.52 0.27 0.00 0.70 0.00 0.00 55.95 56.57 1ode s SER 38 Cb 0.18 0.01 0.92 0.00 -1.71 0.00 0.00 66.02 65.42 1ode s SER 38 CO 0.61 -0.16 1.70 -1.22 1.20 0.00 0.00 173.24 175.37 1ode n TYR 39 N 1.56 0.00 0.33 3.44 4.01 -1.26 -3.93 117.16 121.31 1ode n TYR 39 Ca -0.22 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.74 1ode n TYR 39 Cb 0.55 -0.34 1.15 0.00 -0.31 0.00 0.00 39.34 40.39 1ode n TYR 39 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ode h GLU 40 N 0.12 0.00 0.00 -0.72 5.08 -1.98 -1.84 114.58 115.24 1ode h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ode h GLU 40 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ode h GLU 40 CO 0.00 0.00 -0.11 0.93 -1.00 0.00 0.00 179.01 178.83 1ode h GLU 41 N 0.00 0.00 -5.95 2.33 5.08 -1.91 -3.45 114.58 110.68 1ode h GLU 41 Ca -0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1ode h GLU 41 Cb 0.05 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 1ode h GLU 41 CO 0.00 0.00 0.51 -0.51 -1.00 0.00 0.00 179.01 178.01 1ode s LEU 42 N -4.71 4.05 0.18 1.33 1.43 -0.69 -0.73 118.68 119.53 1ode s LEU 42 Ca 0.09 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1ode s LEU 42 Cb 0.12 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 43.23 1ode s LEU 42 CO 0.63 -0.80 1.64 0.00 0.23 0.00 0.00 176.35 178.05 1ode h ALA 43 N 8.45 0.80 -1.35 4.21 0.00 -1.08 -3.44 119.26 126.86 1ode h ALA 43 Ca -0.24 -0.30 0.31 0.00 0.00 0.00 0.00 54.91 54.68 1ode h ALA 43 Cb 1.08 -0.22 -0.16 0.00 0.00 0.00 0.00 17.79 18.49 1ode h ALA 43 CO 0.95 0.63 0.86 0.00 0.00 0.00 0.00 179.25 181.69 1ode s ALA 44 N -5.06 -2.20 -0.05 0.00 0.00 -1.22 -4.38 121.76 108.86 1ode s ALA 44 Ca -0.12 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ode s ALA 44 Cb 0.13 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1ode s ALA 44 CO 0.85 -0.81 -0.02 0.08 0.00 0.00 0.00 175.76 175.86 1ode s VAL 45 N -2.32 0.37 -0.10 0.00 1.01 0.01 -0.81 120.40 118.56 1ode s VAL 45 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1ode s VAL 45 Cb 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1ode s VAL 45 CO -0.04 0.21 -0.12 -0.63 0.00 0.00 0.00 175.10 174.51 1ode s ILE 46 N 1.23 3.17 0.14 2.22 1.01 -0.13 -1.77 121.20 127.07 1ode s ILE 46 Ca -0.07 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1ode s ILE 46 Cb -0.14 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1ode s ILE 46 CO -0.02 0.55 -0.17 -0.36 0.00 0.00 0.00 174.94 174.94 1ode s PHE 47 N -0.05 2.52 0.02 3.97 0.40 0.45 -0.52 117.98 124.77 1ode s PHE 47 Ca -0.02 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1ode s PHE 47 Cb -0.14 -1.31 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 1ode s PHE 47 CO 0.04 0.42 -0.05 0.95 0.70 0.00 0.00 175.22 177.27 1ode s THR 48 N -1.31 0.37 0.02 0.64 -4.23 -0.18 -0.63 115.64 110.33 1ode s THR 48 Ca 0.19 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1ode s THR 48 Cb -0.10 -0.40 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 1ode s THR 48 CO 0.11 -0.19 -0.08 0.54 -0.54 0.00 0.00 174.62 174.46 1ode s VAL 49 N -0.82 0.61 0.75 2.29 0.11 -1.00 -0.73 120.40 121.61 1ode s VAL 49 Ca -0.06 -0.69 -0.11 0.00 -2.93 0.00 0.00 61.98 58.19 1ode s VAL 49 Cb -0.06 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1ode s VAL 49 CO -0.00 -0.08 1.09 0.42 -3.33 0.00 0.00 175.10 173.20 1ode s THR 50 N -0.73 3.35 0.09 5.04 -4.23 -0.95 -1.64 115.64 116.57 1ode s THR 50 Ca -0.02 0.47 0.31 0.00 -1.18 0.00 0.00 61.69 61.27 1ode s THR 50 Cb -0.06 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.13 1ode s THR 50 CO 0.00 -0.54 1.95 1.05 -0.54 0.00 0.00 174.62 176.55 1ode h GLU 51 N -0.89 0.00 -0.00 3.99 4.11 -1.94 -1.89 114.58 117.95 1ode h GLU 51 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1ode h GLU 51 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ode h GLU 51 CO 0.52 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.20 1ode n ASP 52 N -2.63 0.05 -3.99 3.06 5.68 -1.26 -4.52 116.55 112.93 1ode n ASP 52 Ca -0.01 -1.20 -0.31 0.00 -0.50 0.00 0.00 54.79 52.77 1ode n ASP 52 Cb 0.10 -0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.93 1ode n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ode s LEU 53 N -1.81 3.48 0.00 -2.12 1.43 -0.71 -4.73 118.68 114.21 1ode s LEU 53 Ca 0.39 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 1ode s LEU 53 Cb 0.18 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.98 1ode s LEU 53 CO 0.30 -0.27 0.36 0.35 0.23 0.00 0.00 176.35 177.32 1ode n THR 54 N 4.48 0.08 0.32 5.49 -2.24 -1.26 -4.76 114.28 116.39 1ode n THR 54 Ca -0.07 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1ode n THR 54 Cb 0.43 1.31 0.36 0.00 -2.10 0.00 0.00 70.33 70.33 1ode n THR 54 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ode h SER 55 N 0.00 0.00 -5.00 3.42 4.64 -1.91 -3.47 113.55 111.22 1ode h SER 55 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1ode h SER 55 Cb 0.73 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.73 1ode h SER 55 CO 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 176.83 176.22 1ode s ALA 56 N -3.31 -1.44 -0.22 5.18 0.00 -1.26 -4.55 121.76 116.16 1ode s ALA 56 Ca 0.06 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1ode s ALA 56 Cb 0.08 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1ode s ALA 56 CO 0.60 -0.91 0.34 -0.06 0.00 0.00 0.00 175.76 175.73 1ode s PHE 57 N -3.75 3.34 0.59 0.00 0.08 -1.26 -4.96 117.98 112.01 1ode s PHE 57 Ca 0.07 0.49 0.30 0.00 0.12 0.00 0.00 56.93 57.91 1ode s PHE 57 Cb -0.03 -2.48 1.83 0.00 -0.57 0.00 0.00 43.02 41.76 1ode s PHE 57 CO -0.02 -0.04 2.26 -1.35 -0.10 0.00 0.00 175.22 175.97 1ode h PRO 58 N 7.56 0.00 -0.27 0.24 0.11 -1.99 -2.12 132.00 135.53 1ode h PRO 58 Ca -0.36 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.83 1ode h PRO 58 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ode h PRO 58 CO 0.69 0.00 0.22 0.00 -0.21 0.00 0.00 178.00 178.70 1ode h ALA 59 N 2.00 2.16 -0.68 -0.75 0.00 -1.96 -0.78 119.26 119.25 1ode h ALA 59 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1ode h ALA 59 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1ode h ALA 59 CO 0.00 -0.36 0.45 0.93 0.00 0.00 0.00 179.25 180.27 1ode h GLU 60 N 0.00 0.68 -0.77 0.00 4.39 -1.81 -1.19 114.58 115.89 1ode h GLU 60 Ca 0.13 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1ode h GLU 60 Cb 0.56 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1ode h GLU 60 CO -0.00 0.45 0.41 0.00 -1.16 0.00 0.00 179.01 178.71 1ode h ALA 61 N 1.63 1.28 -0.65 3.43 0.00 -1.33 -1.55 119.26 122.07 1ode h ALA 61 Ca 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ode h ALA 61 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ode h ALA 61 CO -0.09 0.58 0.23 0.00 0.00 0.00 0.00 179.25 179.96 1ode h ALA 62 N 1.38 1.17 -0.51 0.00 0.00 -1.30 -2.22 119.26 117.78 1ode h ALA 62 Ca 0.27 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ode h ALA 62 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ode h ALA 62 CO -0.04 0.59 0.10 -0.09 0.00 0.00 0.00 179.25 179.80 1ode h ARG 63 N 0.95 0.84 -0.79 0.00 2.43 -1.15 0.43 114.38 117.09 1ode h ARG 63 Ca 0.22 -0.22 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1ode h ARG 63 Cb 0.24 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1ode h ARG 63 CO -0.01 0.82 0.52 1.96 -1.51 0.00 0.00 179.97 181.74 1ode h GLN 64 N 0.72 0.76 -0.65 0.20 4.20 -0.74 -0.08 115.11 119.52 1ode h GLN 64 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ode h GLN 64 Cb 0.38 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1ode h GLN 64 CO 0.01 0.50 0.00 0.44 -0.67 0.00 0.00 178.83 179.11 1ode n ILE 65 N -4.50 1.33 -1.05 2.54 -5.35 -0.91 -4.92 119.36 106.50 1ode n ILE 65 Ca 0.12 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 1ode n ILE 65 Cb 0.27 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 1ode n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ode n GLY 66 N 0.65 0.50 1.91 3.28 0.00 -0.04 -4.97 105.19 106.52 1ode n GLY 66 Ca 0.16 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1ode n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ode n MET 67 N -2.42 1.94 0.06 1.61 2.81 0.12 -4.61 117.12 116.63 1ode n MET 67 Ca 0.00 -2.04 0.12 0.00 -1.81 0.00 0.00 57.70 53.97 1ode n MET 67 Cb 0.10 -1.80 0.59 0.00 -0.71 0.00 0.00 33.22 31.40 1ode n MET 67 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1ode h HIS 68 N 1.08 0.18 -0.11 2.03 2.07 -1.83 -1.51 115.15 117.05 1ode h HIS 68 Ca 0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.93 1ode h HIS 68 Cb 1.65 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.57 1ode h HIS 68 CO 1.03 0.09 0.00 0.54 -3.07 0.00 0.00 177.93 176.53 1ode n ARG 69 N -4.47 1.81 -3.34 5.12 1.74 -1.26 -4.83 116.66 111.43 1ode n ARG 69 Ca 0.05 -1.20 -0.38 0.00 -0.77 0.00 0.00 57.85 55.55 1ode n ARG 69 Cb 0.32 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1ode n ARG 69 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ode s VAL 70 N -1.87 5.17 0.12 1.55 1.01 -0.57 -5.03 120.40 120.78 1ode s VAL 70 Ca 0.35 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 1ode s VAL 70 Cb 0.19 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1ode s VAL 70 CO 0.30 0.24 1.54 -2.84 0.00 0.00 0.00 175.10 174.34 1ode s PRO 71 N 1.32 4.24 0.09 2.72 0.02 -1.26 -4.89 135.00 137.23 1ode s PRO 71 Ca 0.21 2.26 0.09 0.00 0.02 0.00 0.00 61.00 63.58 1ode s PRO 71 Cb -0.15 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 1ode s PRO 71 CO 0.09 -0.60 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.40 1ode s LEU 72 N 1.61 2.25 -0.12 -5.54 1.43 -1.26 -0.81 118.68 116.24 1ode s LEU 72 Ca 0.69 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1ode s LEU 72 Cb -0.40 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ode s LEU 72 CO 0.31 0.16 0.36 -0.22 0.23 0.00 0.00 176.35 177.19 1ode s LEU 73 N -1.67 0.64 0.16 1.79 2.96 -0.73 -4.97 118.68 116.87 1ode s LEU 73 Ca 0.10 0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.77 1ode s LEU 73 Cb -0.10 1.24 -0.04 0.00 0.50 0.00 0.00 46.19 47.79 1ode s LEU 73 CO 0.04 -0.16 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.29 1ode s SER 74 N 0.05 2.72 0.16 3.68 0.01 -1.26 -0.41 113.70 118.65 1ode s SER 74 Ca -0.01 -0.85 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 1ode s SER 74 Cb -0.03 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1ode s SER 74 CO 0.01 -0.02 0.37 0.00 0.41 0.00 0.00 173.24 174.01 1ode s ALA 75 N -1.98 -0.47 -0.02 1.44 0.00 0.20 -4.93 121.76 116.00 1ode s ALA 75 Ca 0.15 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1ode s ALA 75 Cb -0.06 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1ode s ALA 75 CO 0.07 -0.68 0.77 1.03 0.00 0.00 0.00 175.76 176.94 1ode s ARG 76 N -3.90 4.47 0.54 0.00 0.52 -1.26 -2.37 118.95 116.95 1ode s ARG 76 Ca 0.11 1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 56.19 1ode s ARG 76 Cb 0.02 -3.42 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 1ode s ARG 76 CO -0.04 0.12 1.00 -2.00 0.02 0.00 0.00 175.30 174.40 1ode s GLU 77 N 0.54 3.83 -0.03 3.54 2.56 -0.65 -4.87 118.70 123.63 1ode s GLU 77 Ca 0.40 0.96 -0.30 0.00 0.00 0.00 0.00 54.97 56.03 1ode s GLU 77 Cb -0.19 -2.12 -0.03 0.00 2.00 0.00 0.00 34.13 33.80 1ode s GLU 77 CO 0.21 -0.37 0.98 0.08 -0.56 0.00 0.00 175.26 175.60 1ode s VAL 78 N -2.67 4.85 0.24 3.70 1.01 -1.26 -4.62 120.40 121.64 1ode s VAL 78 Ca 0.59 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 64.32 1ode s VAL 78 Cb -0.11 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1ode s VAL 78 CO 0.35 0.12 1.32 -2.84 0.00 0.00 0.00 175.10 174.05 1ode s PRO 79 N 1.28 4.37 -0.06 2.72 0.02 -1.26 -5.03 135.00 137.04 1ode s PRO 79 Ca 0.51 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.62 1ode s PRO 79 Cb -0.20 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1ode s PRO 79 CO 0.25 -0.24 0.12 0.08 -0.33 0.00 0.00 177.00 176.88 1ode s VAL 80 N -0.23 -0.05 0.15 3.83 1.01 -1.26 -5.11 120.40 118.74 1ode s VAL 80 Ca 0.55 0.18 -0.34 0.00 0.00 0.00 0.00 61.98 62.37 1ode s VAL 80 Cb -0.38 -0.20 -0.15 0.00 0.00 0.00 0.00 36.38 35.65 1ode s VAL 80 CO 0.42 0.07 1.48 -2.65 0.00 0.00 0.00 175.10 174.43 1ode n PRO 81 N 4.16 1.85 -0.15 2.72 -0.02 -1.26 -1.28 135.00 141.02 1ode n PRO 81 Ca -0.26 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1ode n PRO 81 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1ode n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ode n GLY 82 N 3.00 2.51 3.72 -1.23 0.00 -1.26 -5.01 105.19 106.91 1ode n GLY 82 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1ode n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ode s SER 83 N -3.73 4.04 0.23 1.61 1.04 -0.40 -4.92 113.70 111.56 1ode s SER 83 Ca 0.00 2.37 -0.30 0.00 0.48 0.00 0.00 55.95 58.49 1ode s SER 83 Cb 0.00 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 1ode s SER 83 CO 0.00 -2.37 1.47 -0.22 0.98 0.00 0.00 173.24 173.10 1ode s LEU 84 N -5.29 4.38 0.60 2.42 2.96 -1.26 -4.99 118.68 117.50 1ode s LEU 84 Ca 0.74 2.66 -0.14 0.00 -0.22 0.00 0.00 54.13 57.17 1ode s LEU 84 Cb -0.29 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.74 1ode s LEU 84 CO 0.47 -0.74 1.04 -2.16 -1.32 0.00 0.00 176.35 173.64 1ode s PRO 85 N -0.04 3.40 -0.95 0.98 0.04 -1.26 -4.38 135.00 132.78 1ode s PRO 85 Ca 0.62 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 1ode s PRO 85 Cb -0.42 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1ode s PRO 85 CO 0.41 -0.73 0.65 0.54 0.04 0.00 0.00 177.00 177.91 1ode n ARG 86 N -2.27 -1.15 -4.79 4.56 1.74 -1.26 -4.71 116.66 108.79 1ode n ARG 86 Ca 0.08 0.61 -0.33 0.00 -0.77 0.00 0.00 57.85 57.44 1ode n ARG 86 Cb 0.53 -2.83 -0.13 0.00 -1.02 0.00 0.00 32.46 29.01 1ode n ARG 86 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ode s VAL 87 N -3.18 3.16 -0.21 1.55 1.01 -1.26 -2.02 120.40 119.45 1ode s VAL 87 Ca 0.18 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1ode s VAL 87 Cb -0.09 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1ode s VAL 87 CO 0.90 0.55 -0.00 -0.63 0.00 0.00 0.00 175.10 175.93 1ode s ILE 88 N -0.17 3.88 0.02 2.22 1.01 -0.04 -2.24 121.20 125.88 1ode s ILE 88 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1ode s ILE 88 Cb -0.13 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1ode s ILE 88 CO 0.03 0.42 -0.16 -0.13 0.00 0.00 0.00 174.94 175.09 1ode s ARG 89 N 1.16 2.21 0.01 2.79 0.52 0.09 -1.54 118.95 124.20 1ode s ARG 89 Ca 0.03 -0.89 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1ode s ARG 89 Cb -0.14 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 1ode s ARG 89 CO 0.01 0.56 -0.14 0.08 0.02 0.00 0.00 175.30 175.83 1ode s VAL 90 N -0.88 1.12 -0.26 3.52 1.01 -0.13 -1.01 120.40 123.77 1ode s VAL 90 Ca 0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1ode s VAL 90 Cb -0.11 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.39 1ode s VAL 90 CO 0.04 0.17 0.07 -0.22 0.00 0.00 0.00 175.10 175.16 1ode s LEU 91 N -0.71 1.75 -0.12 3.92 2.96 0.32 -1.48 118.68 125.32 1ode s LEU 91 Ca 0.04 -1.29 -0.12 0.00 -0.22 0.00 0.00 54.13 52.54 1ode s LEU 91 Cb -0.07 -0.75 -0.05 0.00 0.50 0.00 0.00 46.19 45.83 1ode s LEU 91 CO 0.00 -0.37 0.26 0.00 -1.32 0.00 0.00 176.35 174.93 1ode s ALA 92 N 1.73 3.70 -0.37 5.97 0.00 -0.22 -0.95 121.76 131.62 1ode s ALA 92 Ca 0.05 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 1ode s ALA 92 Cb -0.17 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 1ode s ALA 92 CO -0.19 0.32 0.29 -0.51 0.00 0.00 0.00 175.76 175.68 1ode s LEU 93 N -0.28 4.70 -0.19 0.00 1.43 0.01 -0.06 118.68 124.28 1ode s LEU 93 Ca 0.17 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1ode s LEU 93 Cb -0.13 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1ode s LEU 93 CO 0.05 -0.33 0.01 0.86 0.23 0.00 0.00 176.35 177.17 1ode s TRP 94 N 1.78 3.07 -0.47 0.29 -0.00 0.34 -0.47 118.94 123.48 1ode s TRP 94 Ca 0.07 -0.33 -0.28 0.00 -0.00 0.00 0.00 56.10 55.55 1ode s TRP 94 Cb -0.18 -2.07 0.03 0.00 -0.00 0.00 0.00 33.47 31.25 1ode s TRP 94 CO 0.11 -0.14 1.10 -0.80 -0.00 0.00 0.00 176.95 177.21 1ode s ASN 95 N 0.82 6.61 0.18 5.86 0.01 0.09 -0.75 114.94 127.76 1ode s ASN 95 Ca 0.01 0.40 -0.21 0.00 -0.71 0.00 0.00 52.86 52.35 1ode s ASN 95 Cb -0.14 -2.53 0.05 0.00 0.41 0.00 0.00 41.25 39.04 1ode s ASN 95 CO 0.02 -1.21 0.59 0.28 -1.51 0.00 0.00 177.10 175.26 1ode s THR 96 N 4.31 0.01 -1.13 1.60 -1.32 -0.33 -4.89 115.64 113.89 1ode s THR 96 Ca 0.46 -0.37 0.23 0.00 -1.21 0.00 0.00 61.69 60.80 1ode s THR 96 Cb -0.08 -1.29 -0.07 0.00 -1.51 0.00 0.00 72.50 69.56 1ode s THR 96 CO 0.31 -0.05 1.20 -0.90 -2.21 0.00 0.00 174.62 172.96 1ode n ASP 97 N -0.37 0.85 -4.68 8.08 5.68 -1.26 -3.12 116.55 121.73 1ode n ASP 97 Ca -0.13 -0.69 -0.45 0.00 -0.50 0.00 0.00 54.79 53.01 1ode n ASP 97 Cb 0.63 0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 41.13 1ode n ASP 97 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ode n THR 98 N -1.33 0.09 -1.97 2.12 -1.04 -1.26 -4.95 114.28 105.95 1ode n THR 98 Ca 0.06 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.71 1ode n THR 98 Cb 0.34 -1.67 0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1ode n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ode s PRO 99 N 1.43 3.04 0.27 -2.82 0.04 -1.26 -4.91 135.00 130.79 1ode s PRO 99 Ca 0.80 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1ode s PRO 99 Cb -0.64 -1.98 0.61 0.00 0.04 0.00 0.00 34.50 32.52 1ode s PRO 99 CO 0.39 -1.07 1.72 0.37 0.04 0.00 0.00 177.00 178.45 1ode h GLN 100 N 0.50 0.44 0.00 4.56 4.15 -1.98 0.08 115.11 122.86 1ode h GLN 100 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1ode h GLN 100 Cb 1.25 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1ode h GLN 100 CO 0.55 0.29 0.00 -0.40 -1.93 0.00 0.00 178.83 177.35 1ode n ASP 101 N -5.00 0.08 -0.54 -0.69 5.75 -1.26 -2.56 116.55 112.33 1ode n ASP 101 Ca 0.19 0.53 0.05 0.00 -0.01 0.00 0.00 54.79 55.54 1ode n ASP 101 Cb 0.54 -0.54 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 1ode n ASP 101 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ode n ARG 102 N -1.60 2.09 -2.80 0.11 1.74 0.01 -4.97 116.66 111.24 1ode n ARG 102 Ca 0.02 -1.73 -0.41 0.00 -0.77 0.00 0.00 57.85 54.97 1ode n ARG 102 Cb 0.12 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1ode n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ode s VAL 103 N -0.96 4.48 -0.27 1.55 1.01 -1.06 -4.95 120.40 120.20 1ode s VAL 103 Ca 0.19 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 64.03 1ode s VAL 103 Cb 0.11 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1ode s VAL 103 CO 0.14 0.36 0.17 -0.13 0.00 0.00 0.00 175.10 175.64 1ode s ARG 104 N -0.25 3.93 0.07 2.72 1.81 -1.26 -5.08 118.95 120.89 1ode s ARG 104 Ca 0.44 -0.33 -0.05 0.00 -1.72 0.00 0.00 55.73 54.06 1ode s ARG 104 Cb -0.23 -3.58 -0.05 0.00 -0.45 0.00 0.00 34.95 30.63 1ode s ARG 104 CO 0.29 -0.13 0.30 -1.01 -0.68 0.00 0.00 175.30 174.06 1ode s HIS 105 N 1.60 3.53 -0.15 -0.53 3.76 -1.26 -4.75 115.29 117.49 1ode s HIS 105 Ca 0.07 0.52 0.01 0.00 -0.15 0.00 0.00 55.06 55.52 1ode s HIS 105 Cb -0.15 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.59 1ode s HIS 105 CO 0.09 0.54 -0.19 0.08 -0.85 0.00 0.00 174.74 174.41 1ode s VAL 106 N -1.46 1.90 -0.21 -0.90 1.01 -0.40 -5.01 120.40 115.33 1ode s VAL 106 Ca 0.34 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1ode s VAL 106 Cb -0.13 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1ode s VAL 106 CO 0.21 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 175.36 1ode s TYR 107 N 1.14 2.89 0.25 5.22 2.02 -1.26 -0.99 117.35 126.62 1ode s TYR 107 Ca -0.00 -1.86 0.09 0.00 -0.37 0.00 0.00 57.07 54.93 1ode s TYR 107 Cb -0.14 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1ode s TYR 107 CO -0.08 -0.82 -0.02 -0.51 -1.57 0.00 0.00 175.55 172.55 1ode s LEU 108 N 1.24 3.16 0.00 -1.29 1.43 -0.13 -4.43 118.68 118.66 1ode s LEU 108 Ca -0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1ode s LEU 108 Cb -0.16 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1ode s LEU 108 CO -0.10 0.02 0.00 0.54 0.23 0.00 0.00 176.35 177.04 1ode n ARG 109 N -0.73 0.00 0.14 1.70 1.74 -1.26 -1.19 116.66 117.06 1ode n ARG 109 Ca -0.07 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.13 1ode n ARG 109 Cb 0.58 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.53 1ode n ARG 109 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ode n GLU 110 N 14.00 0.19 0.11 5.56 1.02 -1.26 -2.66 120.64 137.59 1ode n GLU 110 Ca 0.00 0.46 0.09 0.00 -0.02 0.00 0.00 57.16 57.69 1ode n GLU 110 Cb 0.00 -1.89 0.43 0.00 -0.02 0.00 0.00 31.44 29.96 1ode n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ode n ALA 111 N -1.78 1.31 0.30 0.62 0.00 -0.34 -1.35 120.51 119.27 1ode n ALA 111 Ca 0.02 0.10 0.18 0.00 0.00 0.00 0.00 53.44 53.73 1ode n ALA 111 Cb 0.20 -1.28 0.90 0.00 0.00 0.00 0.00 19.45 19.27 1ode n ALA 111 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ode h VAL 112 N 0.00 0.22 0.00 0.00 -1.51 -1.63 -0.37 116.25 112.96 1ode h VAL 112 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1ode h VAL 112 Cb 0.15 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1ode h VAL 112 CO 0.00 0.04 0.00 0.54 -1.23 0.00 0.00 177.57 176.92 1ode n ARG 113 N -3.31 0.44 -0.08 5.19 1.74 -0.45 -3.06 116.66 117.12 1ode n ARG 113 Ca -0.02 0.05 -0.09 0.00 -0.77 0.00 0.00 57.85 57.02 1ode n ARG 113 Cb 0.19 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 1ode n ARG 113 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ode n LEU 114 N -1.22 0.21 -4.37 0.55 4.77 -0.15 -5.00 117.00 111.78 1ode n LEU 114 Ca 0.13 -0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 1ode n LEU 114 Cb 0.17 0.33 0.28 0.00 -2.33 0.00 0.00 43.42 41.86 1ode n LEU 114 CO 0.17 0.44 0.44 -0.60 -1.33 0.00 0.00 177.39 176.52 1ode s ARG 115 N -2.40 -2.16 0.00 3.23 3.52 -1.17 -5.18 118.95 114.80 1ode s ARG 115 Ca -0.10 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1ode s ARG 115 Cb 0.05 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 32.00 1ode s ARG 115 CO 0.66 -4.45 0.00 -0.35 -0.81 0.00 0.00 175.30 170.35