#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 2.11 -0.06 2.03 1.01 -1.26 -1.21 120.40 123.02 1ode s VAL 2 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1ode s VAL 2 Cb 0.00 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 1ode s VAL 2 CO 0.00 0.56 -0.20 -0.13 0.00 0.00 0.00 175.10 175.34 1ode s ARG 3 N 0.14 2.13 0.33 2.72 1.81 0.72 -4.91 118.95 121.89 1ode s ARG 3 Ca -0.13 -0.70 -0.19 0.00 -1.72 0.00 0.00 55.73 53.00 1ode s ARG 3 Cb -0.16 -1.79 -0.09 0.00 -0.45 0.00 0.00 34.95 32.45 1ode s ARG 3 CO 0.07 0.25 0.81 0.20 -0.68 0.00 0.00 175.30 175.95 1ode s GLY 4 N 0.08 2.45 -0.11 -3.53 0.00 -1.26 -0.34 107.32 104.62 1ode s GLY 4 Ca -0.07 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.88 1ode s GLY 4 CO 0.04 0.49 -0.17 -0.42 0.00 0.00 0.00 173.10 173.03 1ode s ILE 5 N -1.90 1.63 -0.02 0.90 1.01 0.13 -4.93 121.20 118.02 1ode s ILE 5 Ca 0.53 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1ode s ILE 5 Cb -0.12 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1ode s ILE 5 CO 0.18 0.47 0.14 -0.13 0.00 0.00 0.00 174.94 175.60 1ode s ARG 6 N 0.84 3.31 0.03 2.79 1.81 -1.26 -0.78 118.95 125.69 1ode s ARG 6 Ca -0.09 -0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 53.53 1ode s ARG 6 Cb -0.15 -3.03 -0.01 0.00 -0.45 0.00 0.00 34.95 31.30 1ode s ARG 6 CO 0.00 0.68 0.06 0.20 -0.68 0.00 0.00 175.30 175.56 1ode s GLY 7 N -1.75 0.19 -0.24 -3.53 0.00 -0.16 -1.56 107.32 100.27 1ode s GLY 7 Ca 0.24 -0.54 -0.21 0.00 0.00 0.00 0.00 44.72 44.20 1ode s GLY 7 CO 0.15 -0.66 0.63 0.00 0.00 0.00 0.00 173.10 173.21 1ode s ALA 8 N -2.24 -1.55 0.05 3.20 0.00 -0.29 -0.51 121.76 120.41 1ode s ALA 8 Ca -0.08 1.79 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 1ode s ALA 8 Cb -0.04 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1ode s ALA 8 CO -0.03 -0.30 0.36 -1.50 0.00 0.00 0.00 175.76 174.29 1ode s ILE 9 N 0.40 0.07 0.30 0.00 2.07 -0.29 -0.79 121.20 122.95 1ode s ILE 9 Ca -0.01 -0.57 0.10 0.00 -1.41 0.00 0.00 60.65 58.76 1ode s ILE 9 Cb -0.04 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1ode s ILE 9 CO -0.00 -0.31 -0.01 0.42 -1.91 0.00 0.00 174.94 173.12 1ode s THR 10 N -2.54 3.03 0.18 4.00 -4.23 -1.25 -0.19 115.64 114.64 1ode s THR 10 Ca -0.05 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1ode s THR 10 Cb -0.01 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1ode s THR 10 CO -0.03 -0.31 -0.17 0.68 -0.54 0.00 0.00 174.62 174.25 1ode s VAL 11 N -2.42 1.77 -0.85 2.29 -7.23 -0.83 -4.84 120.40 108.30 1ode s VAL 11 Ca 0.33 -1.99 0.25 0.00 -1.81 0.00 0.00 61.98 58.76 1ode s VAL 11 Cb -0.04 -1.88 0.08 0.00 0.56 0.00 0.00 36.38 35.10 1ode s VAL 11 CO 0.19 -0.41 1.50 -0.62 -0.31 0.00 0.00 175.10 175.45 1ode n GLU 12 N 0.10 0.13 -3.51 4.82 1.02 -1.26 -4.79 120.64 117.16 1ode n GLU 12 Ca -0.12 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 1ode n GLU 12 Cb 0.58 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 1ode n GLU 12 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ode s GLU 13 N -3.07 1.16 -1.15 3.49 -1.05 -1.26 -5.09 118.70 111.73 1ode s GLU 13 Ca 0.10 -0.37 -0.14 0.00 -0.15 0.00 0.00 54.97 54.40 1ode s GLU 13 Cb 0.16 0.53 0.17 0.00 -0.44 0.00 0.00 34.13 34.55 1ode s GLU 13 CO 0.67 -0.46 1.36 0.34 0.95 0.00 0.00 175.26 178.12 1ode s ASP 14 N -2.39 7.00 0.04 0.83 2.15 -1.26 -4.68 116.67 118.36 1ode s ASP 14 Ca -0.02 -2.86 0.02 0.00 0.43 0.00 0.00 52.55 50.13 1ode s ASP 14 Cb -0.00 -2.39 -0.02 0.00 -0.30 0.00 0.00 42.92 40.21 1ode s ASP 14 CO -0.07 -0.78 -0.07 0.42 -0.17 0.00 0.00 175.17 174.49 1ode s THR 15 N 1.62 0.52 0.26 1.71 -4.23 -1.26 -4.67 115.64 109.60 1ode s THR 15 Ca 0.40 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1ode s THR 15 Cb -0.04 -0.57 0.24 0.00 1.34 0.00 0.00 72.50 73.47 1ode s THR 15 CO -0.02 -0.31 1.82 -0.65 -0.54 0.00 0.00 174.62 174.92 1ode h PRO 16 N 4.71 0.84 -0.36 3.99 0.11 -1.93 -1.00 132.00 138.36 1ode h PRO 16 Ca -0.35 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1ode h PRO 16 Cb 1.20 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1ode h PRO 16 CO 0.42 0.56 0.23 0.93 -0.21 0.00 0.00 178.00 179.93 1ode h GLU 17 N 0.87 0.46 -0.40 1.05 3.07 -1.97 -0.17 114.58 117.49 1ode h GLU 17 Ca 0.43 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.19 1ode h GLU 17 Cb 0.41 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ode h GLU 17 CO -0.25 0.30 -0.06 0.00 -1.40 0.00 0.00 179.01 177.59 1ode h ALA 18 N 1.14 0.55 -0.30 3.43 0.00 -1.72 -1.95 119.26 120.41 1ode h ALA 18 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1ode h ALA 18 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ode h ALA 18 CO -0.04 0.39 0.06 0.82 0.00 0.00 0.00 179.25 180.48 1ode h ILE 19 N 0.57 1.23 -0.39 0.00 2.04 -1.01 -2.02 117.51 117.92 1ode h ILE 19 Ca 0.11 -0.77 -0.15 0.00 1.00 0.00 0.00 64.86 65.05 1ode h ILE 19 Cb 0.57 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1ode h ILE 19 CO 0.03 0.25 -0.34 0.45 0.00 0.00 0.00 178.15 178.55 1ode h HIS 20 N 0.31 1.05 -0.40 1.37 3.86 -1.05 -0.87 115.15 119.42 1ode h HIS 20 Ca 0.09 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 1ode h HIS 20 Cb 0.32 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1ode h HIS 20 CO 0.02 1.10 0.14 0.37 0.86 0.00 0.00 177.93 180.42 1ode h GLN 21 N 0.74 0.61 -0.36 2.45 -0.00 -1.34 -0.04 115.11 117.17 1ode h GLN 21 Ca 0.07 -0.12 -0.11 0.00 -0.00 0.00 0.00 58.65 58.49 1ode h GLN 21 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 1ode h GLN 21 CO 0.08 0.60 -0.19 0.00 0.00 0.00 0.00 178.83 179.32 1ode h ALA 22 N 0.99 0.51 -0.40 3.38 0.00 -1.31 -1.86 119.26 120.58 1ode h ALA 22 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1ode h ALA 22 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ode h ALA 22 CO -0.01 0.46 -0.11 1.15 0.00 0.00 0.00 179.25 180.74 1ode h THR 23 N 0.56 1.25 -0.25 0.00 2.02 -1.07 -0.75 112.91 114.68 1ode h THR 23 Ca 0.08 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1ode h THR 23 Cb 0.74 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1ode h THR 23 CO 0.06 0.38 0.07 -0.09 0.37 0.00 0.00 175.52 176.31 1ode h ARG 24 N 0.64 0.38 -0.49 6.66 2.43 -0.88 -0.68 114.38 122.45 1ode h ARG 24 Ca 0.11 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1ode h ARG 24 Cb 0.56 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1ode h ARG 24 CO 0.04 0.47 0.25 1.49 -1.51 0.00 0.00 179.97 180.70 1ode h GLU 25 N 0.23 0.69 -0.11 0.20 4.81 -1.11 -1.68 114.58 117.62 1ode h GLU 25 Ca 0.08 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ode h GLU 25 Cb 0.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ode h GLU 25 CO -0.00 0.57 0.06 1.25 -0.73 0.00 0.00 179.01 180.15 1ode h LEU 26 N 0.64 0.14 -0.50 1.64 5.85 -1.01 -1.29 115.31 120.79 1ode h LEU 26 Ca 0.17 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ode h LEU 26 Cb 0.09 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1ode h LEU 26 CO -0.02 0.21 0.31 -0.07 -0.34 0.00 0.00 178.44 178.53 1ode h LEU 27 N 0.07 0.52 -0.89 2.25 3.38 -1.01 0.11 115.31 119.74 1ode h LEU 27 Ca 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ode h LEU 27 Cb 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1ode h LEU 27 CO -0.01 0.37 0.48 -0.07 0.09 0.00 0.00 178.44 179.31 1ode h LEU 28 N 0.63 1.12 -0.57 1.67 3.38 -1.17 -1.29 115.31 119.08 1ode h LEU 28 Ca 0.20 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1ode h LEU 28 Cb -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1ode h LEU 28 CO -0.07 0.90 -0.28 0.50 0.09 0.00 0.00 178.44 179.58 1ode h LYS 29 N 1.25 0.84 -0.74 1.13 1.63 -0.71 -0.12 116.57 119.85 1ode h LYS 29 Ca 0.31 -0.38 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1ode h LYS 29 Cb 0.03 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1ode h LYS 29 CO -0.05 1.01 0.39 0.52 -3.45 0.00 0.00 179.45 177.88 1ode h MET 30 N 0.71 1.04 0.17 1.90 2.86 -0.56 0.56 114.93 121.62 1ode h MET 30 Ca 0.08 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ode h MET 30 Cb 0.83 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1ode h MET 30 CO 0.07 0.78 -0.08 -0.07 1.06 0.00 0.00 176.91 178.67 1ode h LEU 31 N 1.02 -0.20 -0.10 1.22 3.38 -1.06 -3.07 115.31 116.50 1ode h LEU 31 Ca 0.26 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ode h LEU 31 Cb 0.06 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1ode h LEU 31 CO -0.04 0.11 -0.13 -0.08 0.09 0.00 0.00 178.44 178.39 1ode h GLU 32 N -0.51 -0.16 -0.46 1.13 4.22 -0.81 -1.84 114.58 116.14 1ode h GLU 32 Ca -0.02 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.55 1ode h GLU 32 Cb 0.39 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1ode h GLU 32 CO 0.04 -0.11 0.33 0.00 -2.18 0.00 0.00 179.01 177.09 1ode h ALA 33 N 0.88 2.34 -0.54 2.92 0.00 -0.94 -1.42 119.26 122.51 1ode h ALA 33 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ode h ALA 33 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ode h ALA 33 CO -0.21 -0.47 0.00 0.09 0.00 0.00 0.00 179.25 178.66 1ode n ASN 34 N -4.42 3.52 -2.76 0.00 3.02 -0.98 -4.77 115.26 108.86 1ode n ASN 34 Ca 0.08 -1.98 -0.20 0.00 -0.03 0.00 0.00 54.58 52.45 1ode n ASN 34 Cb 0.49 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 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 1.27 -0.51 3.68 7.41 0.00 -0.53 -4.92 105.19 111.59 1ode n GLY 35 Ca 0.19 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.99 3.45 -0.16 -0.61 1.01 -0.88 -4.93 121.20 116.10 1ode s ILE 36 Ca 0.16 0.78 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 1ode s ILE 36 Cb -0.08 -3.50 -0.24 0.00 0.01 0.00 0.00 42.46 38.65 1ode s ILE 36 CO 0.20 -0.02 0.63 1.56 0.00 0.00 0.00 174.94 177.31 1ode h GLN 37 N 8.51 0.00 -5.42 2.79 1.08 -1.91 -3.46 115.11 116.70 1ode h GLN 37 Ca -0.40 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.34 1ode h GLN 37 Cb 1.18 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.37 1ode h GLN 37 CO 0.93 1.00 -0.80 0.45 -0.95 0.00 0.00 178.83 179.46 1ode s SER 38 N -6.37 1.77 0.14 1.46 0.15 -1.26 -5.01 113.70 104.58 1ode s SER 38 Ca -0.21 -0.47 0.15 0.00 0.70 0.00 0.00 55.95 56.12 1ode s SER 38 Cb -0.01 -0.12 0.70 0.00 -1.71 0.00 0.00 66.02 64.89 1ode s SER 38 CO 0.66 0.05 1.48 -1.22 1.20 0.00 0.00 173.24 175.41 1ode n TYR 39 N 1.88 0.39 0.27 3.44 4.01 -1.26 -2.24 117.16 123.65 1ode n TYR 39 Ca -0.18 0.17 0.17 0.00 -0.16 0.00 0.00 57.90 57.90 1ode n TYR 39 Cb 0.54 -0.78 0.87 0.00 -0.31 0.00 0.00 39.34 39.67 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 0.00 0.00 0.00 -0.72 5.08 -1.98 -0.79 114.58 116.17 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ode h GLU 40 CO 0.00 0.00 -0.16 0.39 -1.00 0.00 0.00 179.01 178.24 1ode n GLU 41 N -2.69 0.14 -3.16 2.33 1.02 -0.95 -4.80 120.64 112.53 1ode n GLU 41 Ca -0.02 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1ode n GLU 41 Cb 0.09 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 29.80 1ode n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ode s LEU 42 N -3.77 4.26 0.19 -4.62 1.43 -0.30 -0.61 118.68 115.25 1ode s LEU 42 Ca 0.11 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1ode s LEU 42 Cb 0.15 -2.72 0.08 0.00 0.03 0.00 0.00 46.19 43.74 1ode s LEU 42 CO 0.61 -0.53 1.66 0.00 0.23 0.00 0.00 176.35 178.32 1ode h ALA 43 N 8.40 0.86 -1.39 4.21 0.00 -1.16 -3.44 119.26 126.75 1ode h ALA 43 Ca -0.27 -0.30 0.31 0.00 0.00 0.00 0.00 54.91 54.65 1ode h ALA 43 Cb 1.12 -0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.52 1ode h ALA 43 CO 0.80 0.68 0.85 0.00 0.00 0.00 0.00 179.25 181.58 1ode s ALA 44 N -5.10 -2.20 -0.03 0.00 0.00 -1.23 -4.34 121.76 108.87 1ode s ALA 44 Ca -0.12 1.13 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1ode s ALA 44 Cb 0.14 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1ode s ALA 44 CO 0.86 -0.85 0.01 0.08 0.00 0.00 0.00 175.76 175.85 1ode s VAL 45 N -2.36 0.13 -0.10 0.00 1.01 0.04 -1.17 120.40 117.95 1ode s VAL 45 Ca 0.12 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1ode s VAL 45 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1ode s VAL 45 CO -0.04 0.14 -0.11 -0.63 0.00 0.00 0.00 175.10 174.45 1ode s ILE 46 N 1.06 3.24 0.01 2.22 1.01 -0.03 -1.65 121.20 127.06 1ode s ILE 46 Ca -0.09 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1ode s ILE 46 Cb -0.13 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1ode s ILE 46 CO -0.02 0.55 -0.24 -0.36 0.00 0.00 0.00 174.94 174.87 1ode s PHE 47 N -0.09 2.39 0.08 3.97 0.40 0.37 -0.40 117.98 124.69 1ode s PHE 47 Ca -0.01 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1ode s PHE 47 Cb -0.14 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 1ode s PHE 47 CO 0.03 0.09 -0.11 0.95 0.70 0.00 0.00 175.22 176.88 1ode s THR 48 N -0.74 0.90 0.06 0.64 -4.23 -0.18 -0.82 115.64 111.27 1ode s THR 48 Ca 0.11 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1ode s THR 48 Cb -0.10 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1ode s THR 48 CO 0.01 -0.43 -0.10 0.68 -0.54 0.00 0.00 174.62 174.24 1ode s VAL 49 N -1.91 0.78 0.76 2.29 -7.23 -1.12 -1.03 120.40 112.94 1ode s VAL 49 Ca 0.00 -1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 1ode s VAL 49 Cb -0.06 -0.94 0.05 0.00 0.56 0.00 0.00 36.38 35.98 1ode s VAL 49 CO 0.01 -0.40 1.08 0.42 -0.31 0.00 0.00 175.10 175.90 1ode s THR 50 N -1.69 3.44 0.57 5.32 -4.23 -0.93 -1.82 115.64 116.30 1ode s THR 50 Ca -0.04 0.47 0.27 0.00 -1.18 0.00 0.00 61.69 61.21 1ode s THR 50 Cb -0.08 -3.20 0.36 0.00 1.34 0.00 0.00 72.50 70.93 1ode s THR 50 CO 0.01 -0.61 2.06 -0.08 -0.54 0.00 0.00 174.62 175.45 1ode h GLU 51 N -0.96 0.00 -0.06 3.99 4.81 -1.93 -1.80 114.58 118.63 1ode h GLU 51 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ode h GLU 51 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ode h GLU 51 CO 0.58 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 1ode n ASP 52 N -3.97 0.41 -4.00 1.04 5.68 -1.26 -4.63 116.55 109.81 1ode n ASP 52 Ca 0.04 -1.74 -0.31 0.00 -0.50 0.00 0.00 54.79 52.28 1ode n ASP 52 Cb 0.40 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.29 2.83 0.00 -2.12 1.43 -0.68 -4.74 118.68 114.10 1ode s LEU 53 Ca 0.17 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1ode s LEU 53 Cb 0.08 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1ode s LEU 53 CO 0.13 -0.20 0.13 0.35 0.23 0.00 0.00 176.35 177.00 1ode n THR 54 N 4.58 0.01 0.26 5.49 -2.24 -1.26 -4.74 114.28 116.39 1ode n THR 54 Ca -0.13 -0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1ode n THR 54 Cb 0.44 1.74 0.58 0.00 -2.10 0.00 0.00 70.33 70.99 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 -4.97 3.42 4.64 -1.92 -3.47 113.55 111.26 1ode h SER 55 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 1ode h SER 55 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.53 1ode h SER 55 CO 0.00 0.03 0.50 0.00 -0.87 0.00 0.00 176.83 176.49 1ode s ALA 56 N -3.59 -1.76 -0.17 5.18 0.00 -1.26 -4.54 121.76 115.61 1ode s ALA 56 Ca 0.02 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1ode s ALA 56 Cb 0.08 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1ode s ALA 56 CO 0.58 -0.85 0.55 -0.06 0.00 0.00 0.00 175.76 175.97 1ode s PHE 57 N -3.17 3.43 0.45 0.00 0.08 -1.26 -4.96 117.98 112.55 1ode s PHE 57 Ca 0.08 0.88 0.12 0.00 0.12 0.00 0.00 56.93 58.13 1ode s PHE 57 Cb -0.01 -2.68 1.03 0.00 -0.57 0.00 0.00 43.02 40.79 1ode s PHE 57 CO -0.04 -0.03 2.07 -1.35 -0.10 0.00 0.00 175.22 175.77 1ode h PRO 58 N 7.21 0.23 -0.31 0.24 0.11 -1.97 -2.75 132.00 134.76 1ode h PRO 58 Ca -0.36 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.82 1ode h PRO 58 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ode h PRO 58 CO 0.75 0.20 0.45 0.00 -0.21 0.00 0.00 178.00 179.19 1ode h ALA 59 N 1.84 1.94 0.00 -0.75 0.00 -1.95 -0.46 119.26 119.88 1ode h ALA 59 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ode h ALA 59 Cb 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ode h ALA 59 CO -0.01 -0.61 -0.11 1.49 0.00 0.00 0.00 179.25 180.01 1ode h GLU 60 N 0.00 0.00 -0.29 0.00 4.57 -1.92 -1.63 114.58 115.32 1ode h GLU 60 Ca 0.15 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1ode h GLU 60 Cb 1.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1ode h GLU 60 CO -0.00 0.11 -0.14 0.00 -1.18 0.00 0.00 179.01 177.81 1ode h ALA 61 N 1.89 1.23 -0.55 2.92 0.00 -1.30 -2.07 119.26 121.38 1ode h ALA 61 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ode h ALA 61 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ode h ALA 61 CO 0.01 0.50 0.32 0.00 0.00 0.00 0.00 179.25 180.08 1ode h ALA 62 N 1.40 0.71 -0.74 0.00 0.00 -1.43 -1.84 119.26 117.36 1ode h ALA 62 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ode h ALA 62 Cb 0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ode h ALA 62 CO 0.03 0.21 0.34 0.00 0.00 0.00 0.00 179.25 179.83 1ode h ARG 63 N 0.74 1.06 -0.28 0.00 3.08 -1.38 -0.78 114.38 116.82 1ode h ARG 63 Ca 0.20 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1ode h ARG 63 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1ode h ARG 63 CO -0.03 0.83 0.19 1.96 -1.07 0.00 0.00 179.97 181.85 1ode h GLN 64 N 1.05 0.31 -0.60 0.04 4.20 -0.66 -1.79 115.11 117.65 1ode h GLN 64 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1ode h GLN 64 Cb 0.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ode h GLN 64 CO -0.03 0.20 0.02 0.44 -0.67 0.00 0.00 178.83 178.79 1ode n ILE 65 N -4.49 2.71 -0.65 2.54 -5.35 -0.91 -4.94 119.36 108.28 1ode n ILE 65 Ca 0.02 -1.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.12 1ode n ILE 65 Cb 0.12 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 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 0.56 0.62 1.87 3.28 0.00 -0.67 -4.98 105.19 105.87 1ode n GLY 66 Ca 0.28 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.65 1.87 -0.15 1.61 2.81 -0.35 -4.60 117.12 115.68 1ode n MET 67 Ca 0.00 -1.83 0.10 0.00 -1.81 0.00 0.00 57.70 54.16 1ode n MET 67 Cb 0.00 -1.72 0.43 0.00 -0.71 0.00 0.00 33.22 31.22 1ode n MET 67 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ode h HIS 68 N 1.19 0.61 -0.03 2.03 3.86 -1.83 -1.99 115.15 118.99 1ode h HIS 68 Ca 0.36 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1ode h HIS 68 Cb 1.35 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1ode h HIS 68 CO 0.92 0.29 0.00 0.54 0.86 0.00 0.00 177.93 180.54 1ode n ARG 69 N -4.49 1.80 -3.20 2.45 1.74 -1.26 -4.86 116.66 108.83 1ode n ARG 69 Ca 0.11 -1.16 -0.39 0.00 -0.77 0.00 0.00 57.85 55.64 1ode n ARG 69 Cb 0.34 -1.47 -0.06 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 -1.99 5.11 0.05 1.55 1.01 -0.75 -5.02 120.40 120.36 1ode s VAL 70 Ca 0.36 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 1ode s VAL 70 Cb 0.21 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1ode s VAL 70 CO 0.33 0.23 1.61 -2.84 0.00 0.00 0.00 175.10 174.43 1ode s PRO 71 N 1.16 4.21 0.08 2.72 0.02 -1.26 -4.90 135.00 137.04 1ode s PRO 71 Ca 0.28 2.26 0.10 0.00 0.02 0.00 0.00 61.00 63.66 1ode s PRO 71 Cb -0.16 -3.62 -0.03 0.00 0.02 0.00 0.00 34.50 30.70 1ode s PRO 71 CO 0.12 -0.71 -0.26 -0.51 -0.33 0.00 0.00 177.00 175.30 1ode s LEU 72 N 2.70 2.24 -0.03 -5.54 1.43 -1.26 -0.78 118.68 117.44 1ode s LEU 72 Ca 0.72 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1ode s LEU 72 Cb -0.38 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1ode s LEU 72 CO 0.31 0.22 0.12 -0.22 0.23 0.00 0.00 176.35 177.00 1ode s LEU 73 N -1.61 1.57 0.10 1.79 2.96 -0.66 -4.97 118.68 117.87 1ode s LEU 73 Ca 0.12 0.13 0.10 0.00 -0.22 0.00 0.00 54.13 54.26 1ode s LEU 73 Cb -0.10 0.45 -0.04 0.00 0.50 0.00 0.00 46.19 47.00 1ode s LEU 73 CO 0.04 -0.11 -0.24 -0.94 -1.32 0.00 0.00 176.35 173.77 1ode s SER 74 N -0.27 2.97 0.28 3.68 1.04 -1.26 -0.48 113.70 119.66 1ode s SER 74 Ca -0.03 -0.68 -0.11 0.00 0.48 0.00 0.00 55.95 55.60 1ode s SER 74 Cb -0.03 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1ode s SER 74 CO 0.00 0.15 0.51 0.00 0.98 0.00 0.00 173.24 174.88 1ode s ALA 75 N -1.02 -0.12 -0.13 5.32 0.00 -0.00 -4.94 121.76 120.86 1ode s ALA 75 Ca 0.11 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 1ode s ALA 75 Cb -0.10 1.05 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 1ode s ALA 75 CO 0.04 -0.86 0.12 1.03 0.00 0.00 0.00 175.76 176.09 1ode s ARG 76 N -3.71 3.52 0.58 0.00 0.52 -1.26 -2.78 118.95 115.82 1ode s ARG 76 Ca 0.23 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 1ode s ARG 76 Cb -0.01 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 1ode s ARG 76 CO 0.11 0.67 1.02 -2.00 0.02 0.00 0.00 175.30 175.13 1ode s GLU 77 N -0.74 3.57 0.02 3.54 2.56 -0.76 -4.89 118.70 122.02 1ode s GLU 77 Ca 0.13 0.99 -0.30 0.00 0.00 0.00 0.00 54.97 55.79 1ode s GLU 77 Cb -0.12 -2.08 -0.07 0.00 2.00 0.00 0.00 34.13 33.86 1ode s GLU 77 CO 0.03 -0.59 1.71 0.08 -0.56 0.00 0.00 175.26 175.93 1ode s VAL 78 N -2.74 3.21 -0.99 3.70 1.01 -1.26 -4.68 120.40 118.65 1ode s VAL 78 Ca 0.59 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 1ode s VAL 78 Cb -0.12 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 1ode s VAL 78 CO 0.40 -0.02 1.96 -0.81 0.00 0.00 0.00 175.10 176.63 1ode n PRO 79 N 6.44 1.85 -2.81 2.72 -0.04 -1.26 -4.93 135.00 136.97 1ode n PRO 79 Ca 0.17 -2.18 -0.43 0.00 -0.04 0.00 0.00 63.50 61.02 1ode n PRO 79 Cb 0.41 -3.17 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 1ode n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ode s VAL 80 N 5.81 4.51 0.28 0.52 1.01 -1.26 -5.00 120.40 126.27 1ode s VAL 80 Ca 0.58 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 1ode s VAL 80 Cb 0.11 -4.39 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 1ode s VAL 80 CO 0.09 -0.71 1.23 -2.65 0.00 0.00 0.00 175.10 173.06 1ode n PRO 81 N 7.01 1.78 -0.45 2.72 -0.02 -1.26 -1.85 135.00 142.93 1ode n PRO 81 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1ode n PRO 81 Cb 0.48 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.39 1.36 3.86 -1.23 0.00 -1.26 -5.04 105.19 104.27 1ode n GLY 82 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.17 5.22 0.03 1.61 1.04 -0.77 -4.95 113.70 112.72 1ode s SER 83 Ca 0.00 1.19 -0.36 0.00 0.48 0.00 0.00 55.95 57.26 1ode s SER 83 Cb 0.00 -1.97 -0.15 0.00 0.10 0.00 0.00 66.02 64.00 1ode s SER 83 CO 0.00 -1.49 1.56 -0.11 0.98 0.00 0.00 173.24 174.18 1ode n LEU 84 N -3.11 2.50 -4.87 2.42 7.94 -1.26 -4.94 117.00 115.68 1ode n LEU 84 Ca 0.07 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.74 1ode n LEU 84 Cb 0.57 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.21 1ode n LEU 84 CO 0.57 -0.56 0.59 -2.16 -1.11 0.00 0.00 177.39 174.72 1ode s PRO 85 N 1.59 3.76 -1.08 1.96 0.04 -1.26 -4.50 135.00 135.51 1ode s PRO 85 Ca 0.86 0.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 1ode s PRO 85 Cb -0.84 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.47 1ode s PRO 85 CO 0.47 -0.26 0.76 0.54 0.04 0.00 0.00 177.00 178.55 1ode n ARG 86 N -1.85 -1.14 -4.81 4.56 1.74 -1.26 -4.76 116.66 109.13 1ode n ARG 86 Ca 0.04 0.53 -0.33 0.00 -0.77 0.00 0.00 57.85 57.32 1ode n ARG 86 Cb 0.54 -3.86 -0.13 0.00 -1.02 0.00 0.00 32.46 27.99 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 -3.38 3.15 -0.19 1.55 1.01 -1.26 -1.95 120.40 119.33 1ode s VAL 87 Ca 0.39 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1ode s VAL 87 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1ode s VAL 87 CO 0.87 0.57 -0.04 -0.63 0.00 0.00 0.00 175.10 175.87 1ode s ILE 88 N -0.33 3.64 0.05 2.22 1.01 0.74 -2.19 121.20 126.34 1ode s ILE 88 Ca 0.03 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1ode s ILE 88 Cb -0.13 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1ode s ILE 88 CO 0.02 0.45 -0.22 -0.13 0.00 0.00 0.00 174.94 175.07 1ode s ARG 89 N 0.93 1.90 -0.01 2.79 0.52 -0.20 -1.14 118.95 123.73 1ode s ARG 89 Ca -0.00 -1.07 0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1ode s ARG 89 Cb -0.15 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 1ode s ARG 89 CO 0.01 0.52 -0.11 0.08 0.02 0.00 0.00 175.30 175.82 1ode s VAL 90 N -0.91 0.86 -0.27 3.52 1.01 0.33 -1.01 120.40 123.94 1ode s VAL 90 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ode s VAL 90 Cb -0.10 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.63 1ode s VAL 90 CO 0.04 0.25 0.02 -0.22 0.00 0.00 0.00 175.10 175.18 1ode s LEU 91 N -0.20 2.62 -0.07 3.92 2.96 0.46 -0.99 118.68 127.39 1ode s LEU 91 Ca 0.03 -1.40 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 1ode s LEU 91 Cb -0.05 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 1ode s LEU 91 CO -0.00 -0.32 0.27 0.00 -1.32 0.00 0.00 176.35 174.98 1ode s ALA 92 N 1.45 3.79 -0.33 5.97 0.00 0.04 -0.85 121.76 131.84 1ode s ALA 92 Ca 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1ode s ALA 92 Cb -0.18 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1ode s ALA 92 CO -0.12 0.55 0.14 -0.51 0.00 0.00 0.00 175.76 175.81 1ode s LEU 93 N -1.02 4.22 -0.20 0.00 1.43 -0.32 0.19 118.68 122.98 1ode s LEU 93 Ca 0.19 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1ode s LEU 93 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1ode s LEU 93 CO 0.08 -0.26 -0.00 0.86 0.23 0.00 0.00 176.35 177.25 1ode s TRP 94 N 1.53 3.03 -0.44 0.29 -0.00 0.54 -0.59 118.94 123.30 1ode s TRP 94 Ca 0.02 -0.52 -0.29 0.00 -0.00 0.00 0.00 56.10 55.31 1ode s TRP 94 Cb -0.18 -2.09 0.03 0.00 -0.00 0.00 0.00 33.47 31.23 1ode s TRP 94 CO 0.05 -0.29 1.12 -0.80 -0.00 0.00 0.00 176.95 177.03 1ode s ASN 95 N 1.08 6.71 0.12 5.86 0.01 0.22 -0.20 114.94 128.74 1ode s ASN 95 Ca 0.02 0.62 -0.25 0.00 -0.71 0.00 0.00 52.86 52.54 1ode s ASN 95 Cb -0.14 -2.55 0.07 0.00 0.41 0.00 0.00 41.25 39.04 1ode s ASN 95 CO 0.01 -1.16 0.77 0.28 -1.51 0.00 0.00 177.10 175.49 1ode s THR 96 N 4.25 0.00 -1.78 1.60 -1.32 -0.35 -4.89 115.64 113.16 1ode s THR 96 Ca 0.47 -0.26 0.23 0.00 -1.21 0.00 0.00 61.69 60.93 1ode s THR 96 Cb -0.08 -1.31 0.01 0.00 -1.51 0.00 0.00 72.50 69.61 1ode s THR 96 CO 0.28 0.00 1.16 0.47 -2.21 0.00 0.00 174.62 174.32 1ode n ASP 97 N -0.36 1.62 -4.65 8.08 10.43 -1.26 -4.32 116.55 126.09 1ode n ASP 97 Ca -0.11 -1.27 -0.50 0.00 2.57 0.00 0.00 54.79 55.48 1ode n ASP 97 Cb 0.62 0.48 -0.05 0.00 1.84 0.00 0.00 41.12 44.01 1ode n ASP 97 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1ode n THR 98 N -0.43 0.14 -1.79 -3.53 -1.04 -1.26 -4.92 114.28 101.46 1ode n THR 98 Ca 0.09 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.72 1ode n THR 98 Cb 0.42 -1.30 0.05 0.00 -1.82 0.00 0.00 70.33 67.68 1ode n THR 98 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ode s PRO 99 N 1.69 2.69 0.28 -2.82 0.02 -1.26 -4.89 135.00 130.71 1ode s PRO 99 Ca 0.86 1.72 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1ode s PRO 99 Cb -0.83 -1.90 0.61 0.00 0.02 0.00 0.00 34.50 32.39 1ode s PRO 99 CO 0.47 -1.40 1.79 0.37 -0.33 0.00 0.00 177.00 177.90 1ode h GLN 100 N 0.37 0.77 0.00 5.54 4.15 -1.98 -0.81 115.11 123.16 1ode h GLN 100 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1ode h GLN 100 Cb 1.29 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1ode h GLN 100 CO 0.53 0.51 0.00 -0.40 -1.93 0.00 0.00 178.83 177.54 1ode n ASP 101 N -4.75 0.00 -0.34 -0.69 5.75 -1.26 -2.62 116.55 112.64 1ode n ASP 101 Ca 0.20 -0.45 0.05 0.00 -0.01 0.00 0.00 54.79 54.59 1ode n ASP 101 Cb 0.45 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 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 -1.12 1.34 -2.51 0.11 1.74 -0.32 -4.98 116.66 110.93 1ode n ARG 102 Ca 0.15 -0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 55.94 1ode n ARG 102 Cb 0.12 -1.15 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.19 3.76 -0.28 1.55 1.01 -1.08 -4.96 120.40 119.21 1ode s VAL 103 Ca 0.11 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1ode s VAL 103 Cb 0.09 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1ode s VAL 103 CO 0.21 0.31 0.11 -0.13 0.00 0.00 0.00 175.10 175.60 1ode s ARG 104 N -0.70 3.49 0.10 2.72 1.81 -1.26 -5.07 118.95 120.04 1ode s ARG 104 Ca 0.48 -0.60 -0.06 0.00 -1.72 0.00 0.00 55.73 53.83 1ode s ARG 104 Cb -0.30 -3.46 -0.05 0.00 -0.45 0.00 0.00 34.95 30.69 1ode s ARG 104 CO 0.37 -0.31 0.35 -1.01 -0.68 0.00 0.00 175.30 174.02 1ode s HIS 105 N 1.62 3.51 -0.17 -0.53 3.76 -1.26 -4.76 115.29 117.46 1ode s HIS 105 Ca 0.05 0.59 0.01 0.00 -0.15 0.00 0.00 55.06 55.56 1ode s HIS 105 Cb -0.16 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.52 1ode s HIS 105 CO 0.05 0.49 -0.19 0.08 -0.85 0.00 0.00 174.74 174.32 1ode s VAL 106 N -1.54 2.21 -0.21 -0.90 1.01 -0.60 -5.02 120.40 115.35 1ode s VAL 106 Ca 0.37 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1ode s VAL 106 Cb -0.13 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1ode s VAL 106 CO 0.22 0.53 -0.10 -0.31 0.00 0.00 0.00 175.10 175.44 1ode s TYR 107 N 1.10 2.52 0.25 5.22 2.02 -1.26 -1.14 117.35 126.06 1ode s TYR 107 Ca 0.00 -1.69 0.10 0.00 -0.37 0.00 0.00 57.07 55.11 1ode s TYR 107 Cb -0.14 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1ode s TYR 107 CO -0.07 -0.76 -0.05 -0.51 -1.57 0.00 0.00 175.55 172.58 1ode s LEU 108 N 1.36 3.07 0.00 -1.29 1.43 0.03 -4.21 118.68 119.08 1ode s LEU 108 Ca -0.02 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1ode s LEU 108 Cb -0.17 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1ode s LEU 108 CO -0.08 0.03 0.00 0.54 0.23 0.00 0.00 176.35 177.07 1ode n ARG 109 N -0.65 0.00 0.00 1.70 1.74 -1.26 -1.25 116.66 116.93 1ode n ARG 109 Ca -0.07 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 1ode n ARG 109 Cb 0.58 0.00 0.53 0.00 -1.02 0.00 0.00 32.46 32.55 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 0.09 0.00 5.56 -0.58 -1.26 -2.96 120.64 135.49 1ode n GLU 110 Ca 0.00 0.09 0.14 0.00 -0.42 0.00 0.00 57.16 56.97 1ode n GLU 110 Cb 0.00 -1.50 0.61 0.00 -0.57 0.00 0.00 31.44 29.98 1ode n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ode n ALA 111 N -1.45 2.59 0.08 0.62 0.00 -0.38 -3.72 120.51 118.25 1ode n ALA 111 Ca 0.07 -0.17 0.21 0.00 0.00 0.00 0.00 53.44 53.55 1ode n ALA 111 Cb 0.25 -1.41 0.73 0.00 0.00 0.00 0.00 19.45 19.02 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 0.09 0.35 0.00 0.00 -1.51 -1.60 0.73 116.25 114.31 1ode h VAL 112 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ode h VAL 112 Cb 0.42 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1ode h VAL 112 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 177.57 175.20 1ode n ARG 113 N -3.68 0.18 0.00 5.19 0.63 -1.24 -3.13 116.66 114.60 1ode n ARG 113 Ca 0.08 0.05 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 1ode n ARG 113 Cb 0.66 -1.50 0.22 0.00 0.45 0.00 0.00 32.46 32.30 1ode n ARG 113 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ode n LEU 114 N -1.40 0.69 -4.72 6.15 4.77 0.25 -4.94 117.00 117.80 1ode n LEU 114 Ca 0.09 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1ode n LEU 114 Cb 0.26 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1ode n LEU 114 CO 0.22 0.16 1.33 -0.60 -1.33 0.00 0.00 177.39 177.17 1ode s ARG 115 N -2.90 4.15 0.95 3.23 3.52 -1.18 -4.97 118.95 121.74 1ode s ARG 115 Ca 0.13 2.55 -0.11 0.00 -0.13 0.00 0.00 55.73 58.17 1ode s ARG 115 Cb 0.18 -3.09 0.16 0.00 -1.56 0.00 0.00 34.95 30.64 1ode s ARG 115 CO 0.69 -0.71 1.09 -2.14 -0.81 0.00 0.00 175.30 173.42 1ode s PRO 116 N 0.99 0.78 0.00 5.12 0.02 -1.26 -5.14 135.00 135.51 1ode s PRO 116 Ca 0.72 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1ode s PRO 116 Cb -0.48 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1ode s PRO 116 CO 0.33 -2.62 0.00 -0.25 -0.33 0.00 0.00 177.00 174.13