#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nza s GLU 2 N 0.00 4.27 0.05 2.12 8.01 -1.26 -0.79 118.70 131.09 1nza s GLU 2 Ca 0.00 1.05 -0.05 0.00 0.01 0.00 0.00 54.97 55.98 1nza s GLU 2 Cb 0.00 -2.45 -0.02 0.00 -4.31 0.00 0.00 34.13 27.36 1nza s GLU 2 CO 0.00 0.12 0.08 -1.21 0.01 0.00 0.00 175.26 174.26 1nza s GLU 3 N -2.75 0.62 -0.29 1.61 2.02 0.21 -1.97 118.70 118.14 1nza s GLU 3 Ca 0.56 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 1nza s GLU 3 Cb -0.12 0.24 0.04 0.00 0.10 0.00 0.00 34.13 34.38 1nza s GLU 3 CO 0.17 -0.15 0.01 0.08 0.02 0.00 0.00 175.26 175.39 1nza s VAL 4 N -3.01 3.24 -0.16 2.63 1.01 -0.42 -1.23 120.40 122.45 1nza s VAL 4 Ca -0.02 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 1nza s VAL 4 Cb 0.01 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1nza s VAL 4 CO -0.06 -0.01 0.24 -0.69 0.00 0.00 0.00 175.10 174.57 1nza s VAL 5 N 1.33 5.34 -0.14 2.92 1.01 0.12 -0.95 120.40 130.03 1nza s VAL 5 Ca -0.02 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1nza s VAL 5 Cb -0.19 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1nza s VAL 5 CO -0.01 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 174.89 1nza s LEU 6 N 0.26 4.30 -0.08 3.92 1.43 0.79 -0.09 118.68 129.20 1nza s LEU 6 Ca 0.14 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1nza s LEU 6 Cb -0.12 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.06 1nza s LEU 6 CO 0.02 0.34 0.19 -0.63 0.23 0.00 0.00 176.35 176.50 1nza s ILE 7 N -0.58 -0.03 0.07 -0.59 1.01 -0.81 -1.83 121.20 118.44 1nza s ILE 7 Ca 0.13 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1nza s ILE 7 Cb -0.12 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1nza s ILE 7 CO 0.02 0.04 -0.06 0.42 0.00 0.00 0.00 174.94 175.36 1nza s THR 8 N 0.79 3.67 0.10 2.92 -4.23 -1.25 0.20 115.64 117.84 1nza s THR 8 Ca -0.06 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1nza s THR 8 Cb -0.07 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1nza s THR 8 CO -0.04 0.20 -0.07 0.68 -0.54 0.00 0.00 174.62 174.85 1nza s VAL 9 N -1.18 0.73 -0.59 2.29 -7.23 -0.38 -4.63 120.40 109.41 1nza s VAL 9 Ca 0.21 -1.84 0.25 0.00 -1.81 0.00 0.00 61.98 58.80 1nza s VAL 9 Cb -0.11 -1.57 0.31 0.00 0.56 0.00 0.00 36.38 35.57 1nza s VAL 9 CO 0.13 -0.80 1.72 1.55 -0.31 0.00 0.00 175.10 177.40 1nza h PRO 10 N 3.14 0.00 -3.45 4.82 0.13 -1.88 -0.84 132.00 133.92 1nza h PRO 10 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1nza h PRO 10 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1nza h PRO 10 CO 0.62 0.00 -0.09 -1.54 -0.23 0.00 0.00 178.00 176.75 1nza s SER 11 N -5.16 -0.19 0.32 1.44 1.04 -1.26 -4.69 113.70 105.20 1nza s SER 11 Ca 0.09 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.07 1nza s SER 11 Cb 0.09 0.49 0.54 0.00 0.10 0.00 0.00 66.02 67.25 1nza s SER 11 CO 0.61 -0.91 1.90 -0.08 0.98 0.00 0.00 173.24 175.74 1nza h GLU 12 N 2.36 0.74 0.12 4.02 4.81 -1.99 -1.17 114.58 123.48 1nza h GLU 12 Ca -0.32 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1nza h GLU 12 Cb 1.25 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1nza h GLU 12 CO 0.45 0.63 -0.26 1.49 -0.73 0.00 0.00 179.01 180.58 1nza h GLU 13 N 0.73 -0.45 -0.60 1.92 4.57 -1.99 -0.01 114.58 118.75 1nza h GLU 13 Ca 0.17 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1nza h GLU 13 Cb 0.17 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1nza h GLU 13 CO -0.01 -0.30 0.05 0.28 -1.18 0.00 0.00 179.01 177.84 1nza h VAL 14 N -0.47 1.26 -0.16 0.32 2.07 -1.92 -1.78 116.25 115.57 1nza h VAL 14 Ca 0.03 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1nza h VAL 14 Cb 0.50 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1nza h VAL 14 CO -0.15 0.39 -0.18 0.00 0.02 0.00 0.00 177.57 177.65 1nza h ALA 15 N 1.00 -0.09 -0.52 1.67 0.00 -0.82 0.05 119.26 120.54 1nza h ALA 15 Ca 0.17 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1nza h ALA 15 Cb 0.50 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1nza h ALA 15 CO 0.02 -0.63 0.02 0.00 0.00 0.00 0.00 179.25 178.67 1nza h ARG 16 N -0.21 0.91 -0.24 0.00 3.08 -0.91 -0.55 114.38 116.46 1nza h ARG 16 Ca 0.11 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1nza h ARG 16 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1nza h ARG 16 CO -0.28 0.92 0.14 1.15 -1.07 0.00 0.00 179.97 180.83 1nza h THR 17 N 0.79 1.03 -0.37 2.04 2.02 -1.00 0.74 112.91 118.16 1nza h THR 17 Ca 0.15 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1nza h THR 17 Cb 0.50 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1nza h THR 17 CO 0.02 0.05 -0.08 0.40 0.37 0.00 0.00 175.52 176.28 1nza h ILE 18 N 0.29 1.28 -0.33 3.11 2.04 -0.92 -0.46 117.51 122.51 1nza h ILE 18 Ca 0.09 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1nza h ILE 18 Cb -0.01 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1nza h ILE 18 CO -0.04 0.38 0.21 0.00 0.00 0.00 0.00 178.15 178.70 1nza h ALA 19 N 0.83 0.42 -0.34 1.87 0.00 -0.88 -0.97 119.26 120.19 1nza h ALA 19 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1nza h ALA 19 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nza h ALA 19 CO 0.04 -0.14 0.02 0.87 0.00 0.00 0.00 179.25 180.04 1nza h LYS 20 N 0.43 0.58 -0.50 0.00 1.57 -0.80 -2.42 116.57 115.44 1nza h LYS 20 Ca 0.12 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1nza h LYS 20 Cb -0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1nza h LYS 20 CO -0.04 0.69 0.30 0.00 -0.57 0.00 0.00 179.45 179.83 1nza h ALA 21 N 0.87 0.64 -0.50 3.86 0.00 -0.88 0.19 119.26 123.43 1nza h ALA 21 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1nza h ALA 21 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nza h ALA 21 CO 0.01 0.01 0.13 -0.07 0.00 0.00 0.00 179.25 179.33 1nza h LEU 22 N 0.60 0.75 -0.17 0.00 3.38 -1.12 -1.45 115.31 117.31 1nza h LEU 22 Ca 0.20 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1nza h LEU 22 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1nza h LEU 22 CO -0.08 0.78 -0.44 0.58 0.09 0.00 0.00 178.44 179.37 1nza h VAL 23 N 0.69 1.34 -0.49 1.22 2.07 -1.21 0.10 116.25 119.97 1nza h VAL 23 Ca 0.16 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 66.03 1nza h VAL 23 Cb 0.32 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1nza h VAL 23 CO 0.00 0.52 0.24 -0.33 0.02 0.00 0.00 177.57 178.02 1nza h GLU 24 N 0.25 0.46 -0.49 1.57 5.08 -0.58 -1.82 114.58 119.04 1nza h GLU 24 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nza h GLU 24 Cb 1.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1nza h GLU 24 CO 0.09 0.31 0.00 0.39 -1.00 0.00 0.00 179.01 178.80 1nza n GLU 25 N -4.90 1.25 -3.37 2.33 1.02 -0.55 -4.88 120.64 111.53 1nza n GLU 25 Ca 0.04 -0.26 -0.24 0.00 -0.02 0.00 0.00 57.16 56.68 1nza n GLU 25 Cb 0.13 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1nza n GLU 25 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nza n ARG 26 N -0.13 -3.81 0.00 3.49 1.74 -0.69 -4.82 116.66 112.44 1nza n ARG 26 Ca 0.02 0.55 0.12 0.00 -0.77 0.00 0.00 57.85 57.77 1nza n ARG 26 Cb 0.19 -5.30 0.07 0.00 -1.02 0.00 0.00 32.46 26.40 1nza n ARG 26 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nza n LEU 27 N -3.87 2.20 -3.55 0.55 4.77 0.34 0.67 117.00 118.11 1nza n LEU 27 Ca -0.02 -0.78 -0.16 0.00 -0.03 0.00 0.00 56.01 55.02 1nza n LEU 27 Cb 0.55 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1nza n LEU 27 CO 0.54 0.39 0.51 0.00 -1.33 0.00 0.00 177.39 177.50 1nza s ALA 28 N -2.33 -1.81 -0.12 -1.18 0.00 -1.08 -4.69 121.76 110.55 1nza s ALA 28 Ca 0.22 1.46 0.17 0.00 0.00 0.00 0.00 51.96 53.81 1nza s ALA 28 Cb 0.19 -0.30 -0.22 0.00 0.00 0.00 0.00 23.12 22.79 1nza s ALA 28 CO 0.49 -0.35 0.46 0.00 0.00 0.00 0.00 175.76 176.36 1nza n ALA 29 N 1.09 1.74 -3.25 0.00 0.00 -0.83 -4.15 120.51 115.11 1nza n ALA 29 Ca -0.17 -0.90 -0.13 0.00 0.00 0.00 0.00 53.44 52.24 1nza n ALA 29 Cb 0.57 -0.62 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 1nza n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nza s VAL 31 N -0.96 -0.08 -0.14 0.00 1.01 -1.26 -1.29 120.40 117.69 1nza s VAL 31 Ca -0.10 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1nza s VAL 31 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1nza s VAL 31 CO 0.04 0.11 0.02 0.20 0.00 0.00 0.00 175.10 175.47 1nza s ASN 32 N 1.39 5.32 -0.22 3.32 0.02 0.08 -4.93 114.94 119.92 1nza s ASN 32 Ca -0.05 0.08 -0.05 0.00 -1.02 0.00 0.00 52.86 51.82 1nza s ASN 32 Cb -0.13 -1.74 -0.02 0.00 0.02 0.00 0.00 41.25 39.39 1nza s ASN 32 CO -0.03 0.26 -0.01 -0.63 0.02 0.00 0.00 177.10 176.71 1nza s ILE 33 N -0.19 3.67 -0.31 0.60 1.01 -1.26 -0.43 121.20 124.29 1nza s ILE 33 Ca 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 1nza s ILE 33 Cb -0.12 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.69 1nza s ILE 33 CO 0.02 0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.76 1nza s VAL 34 N 1.37 3.80 0.79 2.92 1.01 0.50 -4.96 120.40 125.83 1nza s VAL 34 Ca 0.04 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1nza s VAL 34 Cb -0.14 -3.05 0.12 0.00 0.00 0.00 0.00 36.38 33.31 1nza s VAL 34 CO -0.01 -0.03 1.10 -2.16 0.00 0.00 0.00 175.10 174.01 1nza s PRO 35 N 1.44 1.55 -0.65 2.72 0.04 -1.26 -0.84 135.00 138.00 1nza s PRO 35 Ca 0.00 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1nza s PRO 35 Cb -0.18 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1nza s PRO 35 CO 0.02 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1nza n GLY 36 N -3.16 0.49 3.84 0.56 0.00 -1.25 -4.90 105.19 100.78 1nza n GLY 36 Ca 0.12 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1nza n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nza s LEU 37 N -1.75 3.82 -0.14 0.99 1.02 -0.08 -4.94 118.68 117.60 1nza s LEU 37 Ca 0.00 1.46 0.01 0.00 0.02 0.00 0.00 54.13 55.62 1nza s LEU 37 Cb 0.00 -4.34 -0.00 0.00 0.02 0.00 0.00 46.19 41.86 1nza s LEU 37 CO 0.00 -0.43 -0.16 -0.89 0.02 0.00 0.00 176.35 174.89 1nza s THR 38 N -2.36 2.61 -0.10 5.49 2.01 -1.26 -1.72 115.64 120.32 1nza s THR 38 Ca 0.57 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1nza s THR 38 Cb -0.10 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1nza s THR 38 CO 0.24 0.52 -0.18 -0.44 -0.69 0.00 0.00 174.62 174.08 1nza s SER 39 N 0.70 3.63 -0.19 3.53 0.01 0.33 -4.96 113.70 116.76 1nza s SER 39 Ca -0.08 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1nza s SER 39 Cb -0.16 -1.31 0.03 0.00 0.21 0.00 0.00 66.02 64.79 1nza s SER 39 CO 0.02 0.20 -0.13 -0.63 0.41 0.00 0.00 173.24 173.11 1nza s ILE 40 N 0.10 1.73 0.18 1.44 1.01 -1.26 -0.67 121.20 123.73 1nza s ILE 40 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 1nza s ILE 40 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1nza s ILE 40 CO 0.05 0.30 0.14 -0.72 0.00 0.00 0.00 174.94 174.71 1nza s TYR 41 N 1.38 0.98 -0.01 3.97 1.13 -0.64 -4.97 117.35 119.19 1nza s TYR 41 Ca 0.01 -1.26 -0.18 0.00 -1.41 0.00 0.00 57.07 54.23 1nza s TYR 41 Cb -0.15 -0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 40.19 1nza s TYR 41 CO -0.09 -0.63 0.49 0.50 -2.51 0.00 0.00 175.55 173.30 1nza s ARG 42 N -4.11 4.15 -0.23 -3.49 3.52 -1.26 -0.67 118.95 116.86 1nza s ARG 42 Ca 0.32 0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 56.43 1nza s ARG 42 Cb 0.06 -3.30 0.12 0.00 -1.56 0.00 0.00 34.95 30.28 1nza s ARG 42 CO 0.08 0.50 0.38 -0.46 -0.81 0.00 0.00 175.30 174.99 1nza s TRP 43 N -0.52 -0.82 -1.08 5.12 -0.00 0.70 -4.91 118.94 117.43 1nza s TRP 43 Ca 0.27 0.96 -0.00 0.00 -0.00 0.00 0.00 56.10 57.32 1nza s TRP 43 Cb -0.17 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.37 1nza s TRP 43 CO 0.14 -0.67 0.90 1.04 -0.00 0.00 0.00 176.95 178.36 1nza n GLN 44 N 5.37 -5.98 -3.06 5.86 1.13 -1.26 -1.98 117.38 117.46 1nza n GLN 44 Ca -0.04 0.76 -0.21 0.00 -1.94 0.00 0.00 57.00 55.56 1nza n GLN 44 Cb 0.50 -5.50 0.01 0.00 0.11 0.00 0.00 30.24 25.35 1nza n GLN 44 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nza n GLY 45 N -1.16 -0.50 2.77 1.08 0.00 -1.26 -4.94 105.19 101.17 1nza n GLY 45 Ca -0.24 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1nza n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nza s GLU 46 N -5.71 -0.04 -0.42 1.61 2.12 -0.84 -5.12 118.70 110.31 1nza s GLU 46 Ca 0.28 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.54 1nza s GLU 46 Cb -0.14 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.01 1nza s GLU 46 CO 0.35 -0.18 0.99 0.08 -0.54 0.00 0.00 175.26 175.96 1nza s VAL 47 N 1.12 4.45 0.38 3.70 1.01 -1.26 -0.22 120.40 129.59 1nza s VAL 47 Ca -0.09 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.08 1nza s VAL 47 Cb -0.13 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1nza s VAL 47 CO -0.03 -0.74 0.19 0.68 0.00 0.00 0.00 175.10 175.20 1nza s VAL 48 N 3.81 2.66 0.11 2.92 -7.23 0.15 -4.95 120.40 117.88 1nza s VAL 48 Ca 0.41 -1.65 0.06 0.00 -1.81 0.00 0.00 61.98 58.99 1nza s VAL 48 Cb -0.10 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1nza s VAL 48 CO 0.24 -0.08 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.09 1nza s GLU 49 N -3.91 1.02 0.12 4.82 2.12 -1.26 -1.61 118.70 120.00 1nza s GLU 49 Ca 0.41 -1.17 -0.14 0.00 0.36 0.00 0.00 54.97 54.42 1nza s GLU 49 Cb 0.00 -1.03 0.02 0.00 0.26 0.00 0.00 34.13 33.38 1nza s GLU 49 CO 0.23 0.22 0.34 0.34 -0.54 0.00 0.00 175.26 175.85 1nza s ASP 50 N -2.19 -0.13 -0.18 -1.70 2.15 0.15 -4.98 116.67 109.79 1nza s ASP 50 Ca 0.06 -0.43 -0.07 0.00 0.43 0.00 0.00 52.55 52.55 1nza s ASP 50 Cb -0.07 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 1nza s ASP 50 CO 0.03 -0.82 0.05 -1.10 -0.17 0.00 0.00 175.17 173.16 1nza s GLN 51 N -3.82 3.90 0.31 4.34 -0.21 -1.26 -0.51 119.66 122.40 1nza s GLN 51 Ca 0.04 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 55.05 1nza s GLN 51 Cb 0.03 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 1nza s GLN 51 CO -0.11 0.22 0.32 -1.21 -2.12 0.00 0.00 175.29 172.39 1nza s GLU 52 N 0.49 1.69 0.07 2.91 2.02 -0.70 -4.60 118.70 120.58 1nza s GLU 52 Ca 0.02 -1.83 0.06 0.00 0.02 0.00 0.00 54.97 53.25 1nza s GLU 52 Cb -0.13 0.36 -0.03 0.00 0.10 0.00 0.00 34.13 34.43 1nza s GLU 52 CO 0.01 -0.65 -0.17 -0.51 0.02 0.00 0.00 175.26 173.97 1nza s LEU 53 N -3.27 2.26 -0.12 1.80 1.02 -0.32 -0.90 118.68 119.15 1nza s LEU 53 Ca 0.36 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 1nza s LEU 53 Cb 0.02 -0.67 -0.03 0.00 0.02 0.00 0.00 46.19 45.53 1nza s LEU 53 CO 0.22 -0.00 0.01 -0.22 0.02 0.00 0.00 176.35 176.37 1nza s LEU 54 N -1.66 3.56 -0.16 1.79 2.96 -0.02 -1.25 118.68 123.91 1nza s LEU 54 Ca 0.02 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1nza s LEU 54 Cb -0.10 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1nza s LEU 54 CO 0.03 0.30 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.53 1nza s LEU 55 N -0.40 3.06 -0.33 -0.68 1.43 0.13 -0.37 118.68 121.51 1nza s LEU 55 Ca 0.08 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1nza s LEU 55 Cb -0.12 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1nza s LEU 55 CO 0.02 0.15 0.10 -0.76 0.23 0.00 0.00 176.35 176.09 1nza s LEU 56 N 0.48 4.25 -0.22 1.79 1.43 0.43 -1.93 118.68 124.91 1nza s LEU 56 Ca -0.05 -1.07 -0.07 0.00 -1.03 0.00 0.00 54.13 51.91 1nza s LEU 56 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1nza s LEU 56 CO 0.03 -0.31 0.05 -0.69 0.23 0.00 0.00 176.35 175.67 1nza s VAL 57 N 1.42 4.33 -0.44 -1.59 1.01 0.86 -0.74 120.40 125.25 1nza s VAL 57 Ca -0.01 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1nza s VAL 57 Cb -0.19 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1nza s VAL 57 CO 0.03 0.38 0.66 -0.54 0.00 0.00 0.00 175.10 175.63 1nza s LYS 58 N 1.21 3.29 0.00 2.72 -0.14 -0.41 0.16 119.74 126.57 1nza s LYS 58 Ca 0.04 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1nza s LYS 58 Cb -0.14 -3.95 0.00 0.00 -1.68 0.00 0.00 37.83 32.06 1nza s LYS 58 CO 0.03 -1.02 0.00 -2.37 -0.76 0.00 0.00 175.35 171.22 1nza n THR 59 N 5.89 0.00 -4.21 2.17 5.66 -0.37 -1.96 114.28 121.46 1nza n THR 59 Ca -0.01 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 1nza n THR 59 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1nza n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1nza s THR 60 N -1.58 0.67 0.45 1.09 -4.23 -1.26 -0.62 115.64 110.15 1nza s THR 60 Ca 0.00 -1.96 0.25 0.00 -1.18 0.00 0.00 61.69 58.79 1nza s THR 60 Cb 0.00 -1.96 0.28 0.00 1.34 0.00 0.00 72.50 72.15 1nza s THR 60 CO 0.00 -0.61 2.08 0.71 -0.54 0.00 0.00 174.62 176.26 1nza h THR 61 N 2.79 0.70 -0.03 3.99 1.35 -1.31 -0.97 112.91 119.43 1nza h THR 61 Ca -0.36 -0.47 -0.16 0.00 -0.55 0.00 0.00 66.41 64.87 1nza h THR 61 Cb 1.19 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1nza h THR 61 CO 0.63 0.11 -0.68 -0.74 -0.25 0.00 0.00 175.52 174.59 1nza h HIS 62 N 0.00 0.21 0.00 4.73 -0.00 -1.91 -3.20 115.15 114.98 1nza h HIS 62 Ca -0.00 -0.09 -0.13 0.00 -0.00 0.00 0.00 60.37 60.14 1nza h HIS 62 Cb 0.28 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1nza h HIS 62 CO 0.00 0.79 -1.15 0.00 -0.00 0.00 0.00 177.93 177.57 1nza h ALA 63 N 1.19 0.64 -0.77 5.26 0.00 -1.59 -3.40 119.26 120.60 1nza h ALA 63 Ca -0.01 -0.66 0.16 0.00 0.00 0.00 0.00 54.91 54.40 1nza h ALA 63 Cb 1.22 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 1nza h ALA 63 CO 0.10 0.74 -0.16 0.35 0.00 0.00 0.00 179.25 180.28 1nza h PHE 64 N 0.00 -0.35 -0.85 0.00 3.57 -1.19 0.13 116.94 118.25 1nza h PHE 64 Ca -0.11 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1nza h PHE 64 Cb 1.47 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 40.41 1nza h PHE 64 CO 0.00 -0.32 0.50 -1.35 -2.23 0.00 0.00 178.31 174.91 1nza h PRO 65 N 0.01 0.83 -0.10 6.41 0.11 -1.77 0.11 132.00 137.61 1nza h PRO 65 Ca 0.38 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.27 1nza h PRO 65 Cb 0.59 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1nza h PRO 65 CO -0.77 0.55 -0.66 0.87 -0.21 0.00 0.00 178.00 177.77 1nza h LYS 66 N 0.86 0.39 -0.34 1.05 6.56 -1.40 -2.90 116.57 120.79 1nza h LYS 66 Ca 0.40 -0.29 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1nza h LYS 66 Cb 0.32 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 1nza h LYS 66 CO -0.23 0.92 0.15 1.25 -2.06 0.00 0.00 179.45 179.48 1nza h LEU 67 N 0.28 0.45 -0.55 2.94 6.46 0.32 -1.82 115.31 123.40 1nza h LEU 67 Ca -0.02 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 1nza h LEU 67 Cb 1.22 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.99 1nza h LEU 67 CO 0.11 0.47 0.29 0.11 -0.62 0.00 0.00 178.44 178.81 1nza h LYS 68 N 0.40 0.55 -0.18 1.25 1.57 -0.78 0.41 116.57 119.79 1nza h LYS 68 Ca 0.11 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1nza h LYS 68 Cb 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1nza h LYS 68 CO -0.01 0.36 0.05 0.93 -0.57 0.00 0.00 179.45 180.21 1nza h GLU 69 N 0.56 0.13 -0.68 3.15 5.08 -1.29 -0.35 114.58 121.18 1nza h GLU 69 Ca 0.24 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1nza h GLU 69 Cb 0.12 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nza h GLU 69 CO -0.15 0.09 0.11 0.00 -1.00 0.00 0.00 179.01 178.06 1nza h ARG 70 N 0.13 1.13 -0.38 2.33 2.47 -1.00 -2.49 114.38 116.56 1nza h ARG 70 Ca 0.08 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1nza h ARG 70 Cb 0.06 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1nza h ARG 70 CO -0.09 1.03 0.08 0.28 0.56 0.00 0.00 179.97 181.82 1nza h VAL 71 N 1.05 1.23 -0.42 2.04 2.07 -0.61 -1.40 116.25 120.21 1nza h VAL 71 Ca 0.21 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1nza h VAL 71 Cb 0.44 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1nza h VAL 71 CO 0.01 0.28 0.21 0.11 0.02 0.00 0.00 177.57 178.20 1nza h LYS 72 N 0.48 0.59 -0.13 1.57 1.57 -0.98 0.43 116.57 120.10 1nza h LYS 72 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1nza h LYS 72 Cb 0.33 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1nza h LYS 72 CO 0.00 0.46 -0.10 0.00 -0.57 0.00 0.00 179.45 179.24 1nza h ALA 73 N 1.64 0.19 0.07 3.86 0.00 -1.13 -3.31 119.26 120.57 1nza h ALA 73 Ca 0.15 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1nza h ALA 73 Cb 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nza h ALA 73 CO -0.02 0.02 -1.13 -0.07 0.00 0.00 0.00 179.25 178.05 1nza h LEU 74 N -0.08 0.70 -9.66 0.00 3.38 -1.01 -3.45 115.31 105.19 1nza h LEU 74 Ca 0.02 -0.62 -0.53 0.00 0.09 0.00 0.00 57.88 56.85 1nza h LEU 74 Cb 0.60 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 41.17 1nza h LEU 74 CO 0.03 1.44 0.79 -2.28 0.09 0.00 0.00 178.44 178.50 1nza s HIS 75 N -3.06 3.09 0.27 1.13 2.46 0.15 -4.92 115.29 114.40 1nza s HIS 75 Ca -0.07 0.88 0.27 0.00 0.47 0.00 0.00 55.06 56.60 1nza s HIS 75 Cb 0.07 -3.82 1.23 0.00 -0.13 0.00 0.00 32.58 29.93 1nza s HIS 75 CO 0.90 -2.85 1.96 -1.00 -2.47 0.00 0.00 174.74 171.29 1nza h PRO 76 N 6.01 0.00 -6.05 2.88 0.13 -1.88 -3.45 132.00 129.65 1nza h PRO 76 Ca -0.44 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 1nza h PRO 76 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1nza h PRO 76 CO 0.84 0.16 -0.30 0.71 -0.23 0.00 0.00 178.00 179.18 1nza s TYR 77 N -3.89 3.56 0.12 1.56 4.12 -1.26 -5.03 117.35 116.54 1nza s TYR 77 Ca -0.01 0.68 -0.21 0.00 0.02 0.00 0.00 57.07 57.55 1nza s TYR 77 Cb 0.11 -2.08 -0.05 0.00 -1.52 0.00 0.00 41.96 38.42 1nza s TYR 77 CO 0.60 0.54 1.71 1.79 0.02 0.00 0.00 175.55 180.21 1nza h THR 78 N 2.79 0.85 -2.95 -0.71 1.35 -1.94 -3.32 112.91 108.99 1nza h THR 78 Ca -0.49 -0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.69 1nza h THR 78 Cb 1.19 0.84 -0.38 0.00 -1.73 0.00 0.00 68.15 68.07 1nza h THR 78 CO 0.67 0.00 -0.21 0.52 -0.25 0.00 0.00 175.52 176.26 1nza n VAL 79 N -5.16 2.85 -2.29 6.82 0.31 -1.26 -5.05 118.33 114.55 1nza n VAL 79 Ca -0.03 -5.19 -0.35 0.00 -0.01 0.00 0.00 64.34 58.75 1nza n VAL 79 Cb 0.10 -2.24 -0.00 0.00 -0.91 0.00 0.00 33.84 30.79 1nza n VAL 79 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nza s PRO 80 N -1.84 3.49 -0.11 5.55 0.04 -1.25 -4.97 135.00 135.90 1nza s PRO 80 Ca 0.31 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1nza s PRO 80 Cb 0.00 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1nza s PRO 80 CO -0.08 -0.74 1.23 -2.00 0.04 0.00 0.00 177.00 175.45 1nza s GLU 81 N -3.16 4.29 -0.29 4.56 2.12 -1.26 -4.97 118.70 120.00 1nza s GLU 81 Ca 0.70 1.66 -0.02 0.00 0.36 0.00 0.00 54.97 57.67 1nza s GLU 81 Cb -0.24 -3.66 0.12 0.00 0.26 0.00 0.00 34.13 30.61 1nza s GLU 81 CO 0.28 -0.58 0.21 0.42 -0.54 0.00 0.00 175.26 175.05 1nza s ILE 82 N 2.86 -0.23 -0.05 -3.70 1.01 -1.25 -3.84 121.20 116.00 1nza s ILE 82 Ca 0.55 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1nza s ILE 82 Cb -0.23 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 1nza s ILE 82 CO 0.18 -0.61 -0.17 0.68 0.00 0.00 0.00 174.94 175.02 1nza s VAL 83 N 2.22 1.46 -0.16 2.92 -7.23 -0.76 -4.97 120.40 113.87 1nza s VAL 83 Ca 0.09 -0.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 1nza s VAL 83 Cb -0.15 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1nza s VAL 83 CO -0.35 0.42 0.06 0.00 -0.31 0.00 0.00 175.10 174.92 1nza s ALA 84 N 0.17 3.44 -0.12 1.32 0.00 -1.26 -0.15 121.76 125.16 1nza s ALA 84 Ca -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1nza s ALA 84 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1nza s ALA 84 CO 0.03 0.28 -0.04 -0.51 0.00 0.00 0.00 175.76 175.52 1nza s LEU 85 N 0.07 3.30 0.29 0.00 1.43 -0.13 -4.96 118.68 118.69 1nza s LEU 85 Ca 0.05 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1nza s LEU 85 Cb -0.12 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 1nza s LEU 85 CO 0.01 0.25 1.10 -2.16 0.23 0.00 0.00 176.35 175.77 1nza s PRO 86 N -0.11 4.59 -0.42 1.29 0.04 -1.26 -1.31 135.00 137.82 1nza s PRO 86 Ca 0.02 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.65 1nza s PRO 86 Cb -0.13 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.30 1nza s PRO 86 CO 0.02 0.17 0.60 0.42 0.04 0.00 0.00 177.00 178.25 1nza s ILE 87 N -1.20 4.89 0.15 0.56 1.01 -0.83 -4.87 121.20 120.90 1nza s ILE 87 Ca 0.46 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 1nza s ILE 87 Cb -0.31 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 1nza s ILE 87 CO 0.40 -0.51 1.43 0.00 0.00 0.00 0.00 174.94 176.26 1nza h ALA 88 N 8.78 0.54 -2.37 9.38 0.00 -1.94 -3.43 119.26 130.22 1nza h ALA 88 Ca -0.26 -0.52 0.18 0.00 0.00 0.00 0.00 54.91 54.31 1nza h ALA 88 Cb 1.10 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1nza h ALA 88 CO 0.86 0.69 0.57 -1.83 0.00 0.00 0.00 179.25 179.54 1nza s GLU 89 N -4.05 1.19 0.00 0.00 -1.05 -1.26 -5.10 118.70 108.44 1nza s GLU 89 Ca -0.09 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1nza s GLU 89 Cb 0.10 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1nza s GLU 89 CO 0.87 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.94 1nza n GLY 90 N -0.60 -1.36 3.60 -3.83 0.00 -1.26 -5.08 105.19 96.67 1nza n GLY 90 Ca -0.05 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1nza n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nza s ASN 91 N -3.33 5.60 0.25 1.61 2.47 -1.26 -4.84 114.94 115.43 1nza s ASN 91 Ca 0.00 1.83 -0.05 0.00 0.42 0.00 0.00 52.86 55.06 1nza s ASN 91 Cb 0.00 -2.51 0.47 0.00 -1.45 0.00 0.00 41.25 37.76 1nza s ASN 91 CO 0.00 -1.85 1.67 0.03 -3.72 0.00 0.00 177.10 173.22 1nza h ARG 92 N 14.36 0.20 0.00 0.43 3.08 -1.99 0.11 114.38 130.58 1nza h ARG 92 Ca -0.40 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.56 1nza h ARG 92 Cb 1.22 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1nza h ARG 92 CO 0.97 0.14 -0.39 0.93 -1.07 0.00 0.00 179.97 180.55 1nza h GLU 93 N 0.21 0.00 -0.14 0.04 5.08 -2.00 -1.61 114.58 116.16 1nza h GLU 93 Ca 0.42 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.65 1nza h GLU 93 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1nza h GLU 93 CO -0.57 0.39 -0.43 -0.92 -1.00 0.00 0.00 179.01 176.48 1nza h TYR 94 N 0.00 0.70 -0.15 4.33 3.20 -1.24 -2.50 116.97 121.32 1nza h TYR 94 Ca -0.00 -0.28 -0.07 0.00 3.14 0.00 0.00 58.73 61.51 1nza h TYR 94 Cb 0.68 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1nza h TYR 94 CO 0.00 1.04 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.26 1nza h LEU 95 N 0.16 0.25 -0.27 2.82 3.38 -0.85 -0.57 115.31 120.22 1nza h LEU 95 Ca -0.01 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1nza h LEU 95 Cb 1.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1nza h LEU 95 CO 0.09 0.49 -0.07 -0.78 0.09 0.00 0.00 178.44 178.26 1nza h ASP 96 N 0.23 0.54 -0.85 -0.43 3.58 -1.28 -1.02 116.42 117.19 1nza h ASP 96 Ca 0.04 -0.37 0.04 0.00 0.42 0.00 0.00 57.03 57.16 1nza h ASP 96 Cb 0.53 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 1nza h ASP 96 CO 0.04 0.78 0.56 -0.25 -2.88 0.00 0.00 179.24 177.48 1nza h TRP 97 N 0.29 1.00 -0.13 0.28 7.01 -1.06 0.40 115.95 123.74 1nza h TRP 97 Ca 0.07 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1nza h TRP 97 Cb 0.55 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1nza h TRP 97 CO 0.05 0.56 0.06 1.25 -2.79 0.00 0.00 178.44 177.57 1nza h LEU 98 N 1.02 0.17 -0.18 0.65 6.46 -0.65 -1.76 115.31 121.02 1nza h LEU 98 Ca 0.35 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1nza h LEU 98 Cb 0.09 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1nza h LEU 98 CO -0.11 0.26 -0.16 0.03 -0.62 0.00 0.00 178.44 177.84 1nza h ARG 99 N 0.07 0.43 -0.73 1.25 3.08 -0.58 -2.92 114.38 114.98 1nza h ARG 99 Ca 0.04 -0.22 0.20 0.00 0.07 0.00 0.00 59.98 60.07 1nza h ARG 99 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1nza h ARG 99 CO -0.00 0.78 0.52 1.49 -1.07 0.00 0.00 179.97 181.68 1nza h GLU 100 N 0.09 0.09 -0.45 0.04 4.81 -0.15 -1.57 114.58 117.43 1nza h GLU 100 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1nza h GLU 100 Cb 0.69 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1nza h GLU 100 CO 0.04 0.06 0.00 0.09 -0.73 0.00 0.00 179.01 178.47 1nza n ASN 101 N -4.36 3.99 -4.26 1.04 3.02 -0.67 -4.95 115.26 109.08 1nza n ASN 101 Ca 0.15 -2.48 -0.29 0.00 -0.03 0.00 0.00 54.58 51.92 1nza n ASN 101 Cb 0.74 -0.47 -0.16 0.00 -0.61 0.00 0.00 39.78 39.28 1nza n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nza s THR 102 N -1.88 1.85 0.00 3.41 2.01 -0.59 -4.40 115.64 116.04 1nza s THR 102 Ca 0.40 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1nza s THR 102 Cb 0.27 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1nza s THR 102 CO 0.18 0.52 0.45 0.61 -0.69 0.00 0.00 174.62 175.69