#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit s LYS 2 N 0.00 2.97 -0.09 0.03 -0.14 -1.26 -5.05 119.74 116.20 1zit s LYS 2 Ca 0.00 -0.56 -0.04 0.00 -1.36 0.00 0.00 55.97 54.01 1zit s LYS 2 Cb 0.00 -2.65 0.05 0.00 -1.68 0.00 0.00 37.83 33.55 1zit s LYS 2 CO 0.00 0.54 0.19 1.03 -0.76 0.00 0.00 175.35 176.35 1zit s ARG 3 N -0.48 0.11 0.04 1.68 3.00 -1.26 0.98 118.95 123.02 1zit s ARG 3 Ca 0.07 0.50 0.08 0.00 0.00 0.00 0.00 55.73 56.38 1zit s ARG 3 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 34.95 34.63 1zit s ARG 3 CO 0.02 -0.22 -0.21 0.08 0.00 0.00 0.00 175.30 174.97 1zit s VAL 4 N 1.63 2.52 -0.22 3.52 1.01 -1.22 -3.99 120.40 123.65 1zit s VAL 4 Ca -0.05 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 1zit s VAL 4 Cb -0.11 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1zit s VAL 4 CO -0.07 0.37 0.13 -0.22 0.00 0.00 0.00 175.10 175.31 1zit s LEU 5 N -1.29 4.07 -0.52 3.92 2.96 0.98 -1.52 118.68 127.28 1zit s LEU 5 Ca 0.13 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1zit s LEU 5 Cb -0.10 -2.07 0.14 0.00 0.50 0.00 0.00 46.19 44.66 1zit s LEU 5 CO 0.03 0.12 0.33 -0.69 -1.32 0.00 0.00 176.35 174.83 1zit s VAL 6 N 0.70 3.52 -0.30 1.68 1.01 -1.26 0.78 120.40 126.52 1zit s VAL 6 Ca 0.07 -2.53 -0.24 0.00 0.00 0.00 0.00 61.98 59.27 1zit s VAL 6 Cb -0.12 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1zit s VAL 6 CO 0.01 -0.79 0.83 -0.69 0.00 0.00 0.00 175.10 174.46 1zit s VAL 7 N 0.51 4.76 -0.05 2.92 1.01 0.16 0.60 120.40 130.31 1zit s VAL 7 Ca 0.13 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1zit s VAL 7 Cb -0.22 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.05 1zit s VAL 7 CO -0.04 -0.27 0.65 -0.62 0.00 0.00 0.00 175.10 174.83 1zit s ASP 8 N 1.61 -0.63 0.00 3.32 -1.08 -1.25 0.33 116.67 118.97 1zit s ASP 8 Ca 0.34 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 53.05 1zit s ASP 8 Cb -0.14 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.85 1zit s ASP 8 CO 0.13 -0.60 0.39 -0.67 0.52 0.00 0.00 175.17 174.93 1zit n ASP 9 N 0.94 0.00 -4.83 -0.34 2.03 -0.90 -3.47 116.55 109.97 1zit n ASP 9 Ca -0.19 0.53 -0.29 0.00 0.52 0.00 0.00 54.79 55.36 1zit n ASP 9 Cb 0.57 -0.29 0.10 0.00 -0.72 0.00 0.00 41.12 40.78 1zit n ASP 9 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1zit s GLU 10 N -1.34 1.83 -0.71 -0.67 2.12 -1.26 -4.87 118.70 113.79 1zit s GLU 10 Ca 0.00 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.67 1zit s GLU 10 Cb 0.00 -1.91 0.37 0.00 0.26 0.00 0.00 34.13 32.84 1zit s GLU 10 CO 0.00 -1.74 2.08 -0.85 -0.54 0.00 0.00 175.26 174.21 1zit n GLU 11 N -3.47 2.64 0.05 4.30 0.00 -1.26 -4.53 120.64 118.38 1zit n GLU 11 Ca 0.07 -3.22 -0.21 0.00 0.00 0.00 0.00 57.16 53.80 1zit n GLU 11 Cb 0.59 -2.23 -0.15 0.00 0.00 0.00 0.00 31.44 29.65 1zit n GLU 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1zit h SER 12 N 2.47 0.50 0.11 -1.84 4.64 -1.98 -3.27 113.55 114.17 1zit h SER 12 Ca 0.56 -0.91 -0.35 0.00 -0.47 0.00 0.00 61.79 60.62 1zit h SER 12 Cb 0.47 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1zit h SER 12 CO 1.43 1.53 -1.90 -0.38 -0.87 0.00 0.00 176.83 176.64 1zit n ILE 13 N -3.99 1.76 0.31 0.95 2.08 -1.26 -4.02 119.36 115.20 1zit n ILE 13 Ca -0.18 -0.58 0.19 0.00 0.56 0.00 0.00 62.75 62.74 1zit n ILE 13 Cb 0.90 -1.78 1.00 0.00 -0.75 0.00 0.00 39.64 39.00 1zit n ILE 13 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1zit h THR 14 N -0.07 0.10 0.00 1.39 1.35 -1.83 0.88 112.91 114.73 1zit h THR 14 Ca -0.41 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.27 1zit h THR 14 Cb 1.94 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 1zit h THR 14 CO 0.05 0.00 -0.83 -1.28 -0.25 0.00 0.00 175.52 173.21 1zit h SER 15 N 0.00 0.03 0.00 5.36 0.87 -1.69 -3.25 113.55 114.86 1zit h SER 15 Ca 0.02 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1zit h SER 15 Cb 0.34 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1zit h SER 15 CO -0.00 0.84 -0.46 -1.20 -0.53 0.00 0.00 176.83 175.49 1zit n SER 16 N -3.57 1.31 -0.29 6.23 7.64 0.24 -4.42 113.62 120.76 1zit n SER 16 Ca -0.01 0.20 0.02 0.00 1.01 0.00 0.00 58.87 60.09 1zit n SER 16 Cb 0.79 -0.51 0.09 0.00 -1.01 0.00 0.00 64.21 63.57 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1zit h LEU 17 N -0.46 -0.86 -1.07 -3.43 7.12 0.42 0.74 115.31 117.77 1zit h LEU 17 Ca 0.00 0.25 0.13 0.00 0.13 0.00 0.00 57.88 58.39 1zit h LEU 17 Cb 0.46 0.54 -0.08 0.00 -0.53 0.00 0.00 40.66 41.04 1zit h LEU 17 CO 0.00 -0.28 0.62 0.28 -0.13 0.00 0.00 178.44 178.93 1zit h SER 18 N -0.02 0.86 -0.47 1.25 0.02 -1.62 -0.59 113.55 112.98 1zit h SER 18 Ca 0.37 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.26 1zit h SER 18 Cb 0.59 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1zit h SER 18 CO -0.84 0.44 -0.14 0.00 -1.14 0.00 0.00 176.83 175.15 1zit h ALA 19 N 1.56 0.65 0.41 3.77 0.00 0.18 -2.35 119.26 123.47 1zit h ALA 19 Ca 0.49 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1zit h ALA 19 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1zit h ALA 19 CO -0.26 0.58 -0.30 0.82 0.00 0.00 0.00 179.25 180.08 1zit h ILE 20 N 0.77 0.00 -0.99 0.00 5.03 0.58 -0.35 117.51 122.55 1zit h ILE 20 Ca 0.11 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 65.10 1zit h ILE 20 Cb 0.70 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.41 1zit h ILE 20 CO 0.05 0.00 0.65 -0.07 -0.68 0.00 0.00 178.15 178.10 1zit h LEU 21 N -0.68 0.41 -1.57 1.44 3.38 -1.43 1.02 115.31 117.87 1zit h LEU 21 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1zit h LEU 21 Cb 0.57 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1zit h LEU 21 CO 0.02 0.12 -0.16 -0.08 0.09 0.00 0.00 178.44 178.43 1zit h GLU 22 N 0.38 0.00 0.18 1.13 4.81 -0.83 -0.14 114.58 120.12 1zit h GLU 22 Ca 0.54 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.45 1zit h GLU 22 Cb 1.39 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.78 1zit h GLU 22 CO -0.23 0.16 -1.47 1.49 -0.73 0.00 0.00 179.01 178.24 1zit h GLU 23 N 0.00 0.38 -0.06 1.92 4.81 0.28 -3.35 114.58 118.55 1zit h GLU 23 Ca -0.00 -0.65 -0.03 0.00 -0.13 0.00 0.00 59.36 58.55 1zit h GLU 23 Cb 0.52 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1zit h GLU 23 CO 0.02 1.29 -0.06 1.49 -0.73 0.00 0.00 179.01 181.02 1zit h GLU 24 N 0.10 0.16 0.00 1.92 4.22 -1.06 -3.48 114.58 116.45 1zit h GLU 24 Ca -0.23 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1zit h GLU 24 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1zit h GLU 24 CO 0.22 0.59 0.00 0.41 -2.18 0.00 0.00 179.01 178.05 1zit n GLY 25 N 0.19 0.19 0.18 1.92 0.00 -0.57 -5.12 105.19 101.98 1zit n GLY 25 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N 0.00 -0.89 -3.24 1.61 4.01 -0.17 -4.38 117.16 114.10 1zit n TYR 26 Ca 0.00 -0.11 -0.25 0.00 -0.16 0.00 0.00 57.90 57.38 1zit n TYR 26 Cb 0.00 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 38.93 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1zit n HIS 27 N -0.37 -0.39 -1.72 -0.72 -0.00 0.28 -4.66 115.22 107.63 1zit n HIS 27 Ca -0.00 -3.52 -0.43 0.00 0.46 0.00 0.00 57.72 54.23 1zit n HIS 27 Cb 0.03 -0.23 -0.01 0.00 -0.12 0.00 0.00 29.99 29.66 1zit n HIS 27 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1zit n PRO 28 N 1.69 2.43 -0.00 1.57 -0.02 -1.25 -3.38 135.00 136.03 1zit n PRO 28 Ca 0.23 0.86 0.03 0.00 -2.02 0.00 0.00 63.50 62.60 1zit n PRO 28 Cb 0.52 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 1zit n PRO 28 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1zit n ASP 29 N 1.65 1.23 -0.44 2.55 2.03 -0.57 -4.92 116.55 118.08 1zit n ASP 29 Ca 0.07 -0.47 0.04 0.00 0.52 0.00 0.00 54.79 54.96 1zit n ASP 29 Cb 0.36 1.10 -0.01 0.00 -0.72 0.00 0.00 41.12 41.84 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zit n THR 30 N -1.33 0.00 -2.59 5.18 -2.24 -1.26 -4.81 114.28 107.22 1zit n THR 30 Ca 0.01 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1zit n THR 30 Cb 0.13 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit n ALA 31 N -1.30 0.00 0.00 6.98 0.00 0.20 -4.46 120.51 121.94 1zit n ALA 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zit n ALA 31 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N 0.00 1.43 -3.84 0.00 5.02 -1.23 -3.77 118.16 115.77 1zit n LYS 32 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1zit n LYS 32 Cb 0.00 -0.88 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1zit n LYS 32 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zit s THR 33 N -1.76 0.00 0.32 -0.18 -4.23 -1.26 -2.13 115.64 106.40 1zit s THR 33 Ca 0.00 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1zit s THR 33 Cb 0.00 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.37 1zit s THR 33 CO 0.00 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 175.96 1zit h LEU 34 N 2.00 0.81 -0.12 4.79 3.38 -1.97 0.64 115.31 124.84 1zit h LEU 34 Ca -0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1zit h LEU 34 Cb 1.23 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1zit h LEU 34 CO 0.35 0.64 -0.02 -0.09 0.09 0.00 0.00 178.44 179.41 1zit h ARG 35 N 0.92 0.22 -0.10 1.13 2.43 -1.99 0.11 114.38 117.10 1zit h ARG 35 Ca 0.24 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1zit h ARG 35 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1zit h ARG 35 CO -0.04 0.51 -0.22 1.49 -1.51 0.00 0.00 179.97 180.20 1zit h GLU 36 N -0.08 0.18 0.27 0.20 4.22 -1.82 -2.70 114.58 114.84 1zit h GLU 36 Ca 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 1zit h GLU 36 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1zit h GLU 36 CO 0.01 0.40 -0.13 0.00 -2.18 0.00 0.00 179.01 177.11 1zit h ALA 37 N 1.62 -0.63 -0.99 2.92 0.00 0.51 -2.03 119.26 120.66 1zit h ALA 37 Ca 0.03 -0.08 0.36 0.00 0.00 0.00 0.00 54.91 55.22 1zit h ALA 37 Cb 0.49 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.25 1zit h ALA 37 CO 0.03 -0.60 0.45 1.49 0.00 0.00 0.00 179.25 180.62 1zit h GLU 38 N -0.59 0.09 -0.08 0.00 4.81 -1.00 1.26 114.58 119.07 1zit h GLU 38 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1zit h GLU 38 Cb 0.28 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1zit h GLU 38 CO 0.06 0.06 0.02 -0.22 -0.73 0.00 0.00 179.01 178.20 1zit h LYS 39 N 0.09 0.13 0.00 1.92 3.11 -1.51 0.97 116.57 121.29 1zit h LYS 39 Ca 0.77 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.52 1zit h LYS 39 Cb 1.89 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.09 1zit h LYS 39 CO -0.74 0.31 -0.26 0.87 -2.81 0.00 0.00 179.45 176.82 1zit h LYS 40 N -0.07 0.00 0.00 1.90 1.79 0.16 -2.92 116.57 117.44 1zit h LYS 40 Ca 0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1zit h LYS 40 Cb 0.24 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1zit h LYS 40 CO -0.00 0.26 -1.29 -0.89 -1.08 0.00 0.00 179.45 176.45 1zit n ILE 41 N -3.60 0.56 -0.14 1.86 5.41 0.35 -3.25 119.36 120.55 1zit n ILE 41 Ca -0.01 -0.56 0.28 0.00 1.00 0.00 0.00 62.75 63.46 1zit n ILE 41 Cb 0.39 -0.31 0.67 0.00 -0.71 0.00 0.00 39.64 39.68 1zit n ILE 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1zit h LYS 42 N 0.00 0.00 0.00 0.38 3.64 0.12 -3.16 116.57 117.55 1zit h LYS 42 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1zit h LYS 42 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1zit h LYS 42 CO 0.01 0.00 -0.89 0.39 -2.27 0.00 0.00 179.45 176.68 1zit n GLU 43 N -3.72 0.00 -1.70 1.90 1.02 -1.26 -5.03 120.64 111.85 1zit n GLU 43 Ca 0.18 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.89 1zit n GLU 43 Cb 1.11 -0.50 -0.03 0.00 -0.02 0.00 0.00 31.44 31.99 1zit n GLU 43 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1zit n LEU 44 N -3.05 3.68 -3.76 -4.62 -0.00 -1.19 -4.88 117.00 103.18 1zit n LEU 44 Ca 0.00 1.05 -0.42 0.00 -0.00 0.00 0.00 56.01 56.64 1zit n LEU 44 Cb 0.45 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.35 1zit n LEU 44 CO 0.00 0.01 2.33 0.33 -0.00 0.00 0.00 177.39 180.06 1zit n PHE 45 N 4.19 3.09 -1.95 1.96 7.35 -1.26 -4.66 117.46 126.18 1zit n PHE 45 Ca 0.17 -2.87 -0.42 0.00 -0.76 0.00 0.00 57.45 53.56 1zit n PHE 45 Cb 0.33 -2.19 -0.03 0.00 0.35 0.00 0.00 39.48 37.94 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1zit s PHE 46 N 1.39 2.19 0.11 -5.13 0.08 -1.26 -4.90 117.98 110.45 1zit s PHE 46 Ca 0.45 0.24 0.11 0.00 0.12 0.00 0.00 56.93 57.84 1zit s PHE 46 Cb 0.12 -3.95 0.09 0.00 -0.57 0.00 0.00 43.02 38.71 1zit s PHE 46 CO -0.04 -3.92 1.45 -1.00 -0.10 0.00 0.00 175.22 171.61 1zit h PRO 47 N 8.92 0.00 -3.40 0.24 0.13 -1.89 -3.42 132.00 132.58 1zit h PRO 47 Ca -0.42 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.39 1zit h PRO 47 Cb 1.19 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 1zit h PRO 47 CO 0.94 0.73 -0.72 0.08 -0.23 0.00 0.00 178.00 178.80 1zit s VAL 48 N -3.08 -0.09 0.08 1.56 1.01 -1.26 0.15 120.40 118.78 1zit s VAL 48 Ca 0.01 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1zit s VAL 48 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 1zit s VAL 48 CO 0.77 0.13 -0.04 -0.63 0.00 0.00 0.00 175.10 175.34 1zit s ILE 49 N 1.57 3.80 -0.31 2.22 -1.09 0.11 -0.01 121.20 127.48 1zit s ILE 49 Ca -0.03 -1.03 -0.02 0.00 -2.23 0.00 0.00 60.65 57.34 1zit s ILE 49 Cb -0.12 -2.78 0.12 0.00 -1.58 0.00 0.00 42.46 38.09 1zit s ILE 49 CO -0.03 0.15 0.19 -0.69 -1.23 0.00 0.00 174.94 173.33 1zit s VAL 50 N -1.24 -0.09 -1.28 2.92 1.01 0.23 -1.90 120.40 120.06 1zit s VAL 50 Ca 0.23 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1zit s VAL 50 Cb -0.11 -0.99 0.12 0.00 0.00 0.00 0.00 36.38 35.39 1zit s VAL 50 CO 0.16 -0.75 1.67 -0.11 0.00 0.00 0.00 175.10 176.07 1zit n LEU 51 N 4.89 5.36 -4.57 3.92 7.94 -1.26 0.38 117.00 133.66 1zit n LEU 51 Ca 0.00 -4.21 -0.33 0.00 -1.11 0.00 0.00 56.01 50.36 1zit n LEU 51 Cb 0.42 -1.67 -0.04 0.00 0.53 0.00 0.00 43.42 42.66 1zit n LEU 51 CO 0.06 0.56 1.57 -0.62 -1.11 0.00 0.00 177.39 177.86 1zit s ASP 52 N 3.30 5.64 -0.27 1.96 -1.08 0.15 -3.86 116.67 122.51 1zit s ASP 52 Ca 0.48 -1.60 -0.28 0.00 -0.52 0.00 0.00 52.55 50.62 1zit s ASP 52 Cb 0.03 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 1zit s ASP 52 CO 0.03 -2.39 2.07 0.68 0.52 0.00 0.00 175.17 176.08 1zit s VAL 53 N 8.55 3.18 0.00 1.11 -7.23 -1.19 -4.39 120.40 120.43 1zit s VAL 53 Ca 0.63 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1zit s VAL 53 Cb -0.01 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1zit s VAL 53 CO 0.06 -0.16 0.00 1.87 -0.31 0.00 0.00 175.10 176.56 1zit n TRP 54 N 11.35 0.00 -0.04 2.82 -0.00 -1.26 -4.28 117.44 126.03 1zit n TRP 54 Ca 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.62 1zit n TRP 54 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.69 1zit n TRP 54 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 1zit h MET 55 N 0.00 0.54 0.00 5.87 4.05 -1.97 -3.46 114.93 119.97 1zit h MET 55 Ca 0.00 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1zit h MET 55 Cb 0.00 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1zit h MET 55 CO 0.00 1.04 0.00 -0.35 0.23 0.00 0.00 176.91 177.83 1zit n PRO 56 N -4.24 -0.10 -0.09 0.39 -0.04 -1.26 -5.03 135.00 124.63 1zit n PRO 56 Ca -0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1zit n PRO 56 Cb 0.58 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -2.37 1.19 -3.43 3.54 8.00 -1.26 -4.95 116.55 117.27 1zit n ASP 57 Ca 0.00 -0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.29 1zit n ASP 57 Cb 0.00 0.54 0.09 0.00 -0.02 0.00 0.00 41.12 41.73 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 58 N 2.09 -0.39 2.07 0.44 0.00 -1.26 -4.90 105.19 103.24 1zit n GLY 58 Ca -0.32 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1zit n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zit n ASP 59 N -3.13 4.55 -3.37 1.61 2.03 -1.26 -4.80 116.55 112.17 1zit n ASP 59 Ca -0.28 -3.40 -0.33 0.00 0.52 0.00 0.00 54.79 51.30 1zit n ASP 59 Cb 0.67 -0.84 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zit n GLY 60 N -0.80 3.35 0.27 0.27 0.00 -1.26 -4.66 105.19 102.36 1zit n GLY 60 Ca 0.51 -1.16 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1zit n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1zit h VAL 61 N 3.67 0.65 0.00 1.61 2.07 -1.91 0.18 116.25 122.53 1zit h VAL 61 Ca 0.56 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.88 1zit h VAL 61 Cb 0.36 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1zit h VAL 61 CO 1.68 0.08 -0.25 -0.55 0.02 0.00 0.00 177.57 178.55 1zit h ASN 62 N 0.42 0.00 -0.47 0.57 -1.07 -1.95 -3.19 115.58 109.89 1zit h ASN 62 Ca 0.40 0.00 0.05 0.00 0.07 0.00 0.00 56.30 56.83 1zit h ASN 62 Cb 0.61 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.81 1zit h ASN 62 CO -0.40 0.25 0.19 0.15 0.07 0.00 0.00 177.43 177.69 1zit h PHE 63 N 0.00 0.35 -1.17 4.14 3.57 -0.99 -1.18 116.94 121.64 1zit h PHE 63 Ca -0.00 0.02 0.34 0.00 3.53 0.00 0.00 57.97 61.86 1zit h PHE 63 Cb 0.74 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1zit h PHE 63 CO 0.00 0.14 0.91 0.82 -2.23 0.00 0.00 178.31 177.95 1zit h ILE 64 N 0.39 0.32 0.01 1.41 5.03 -1.53 0.84 117.51 123.98 1zit h ILE 64 Ca 0.22 0.00 -0.25 0.00 -0.12 0.00 0.00 64.86 64.71 1zit h ILE 64 Cb 0.18 0.35 0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1zit h ILE 64 CO -0.19 0.00 -1.00 0.44 -0.68 0.00 0.00 178.15 176.71 1zit h ASP 65 N 0.00 0.68 -0.41 1.72 5.19 -1.41 -3.18 116.42 119.02 1zit h ASP 65 Ca 0.56 -0.55 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1zit h ASP 65 Cb 2.37 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 41.62 1zit h ASP 65 CO -0.01 1.36 0.14 0.15 -3.12 0.00 0.00 179.24 177.77 1zit h PHE 66 N 0.29 0.26 -0.79 4.55 3.57 0.77 0.88 116.94 126.46 1zit h PHE 66 Ca -0.10 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.50 1zit h PHE 66 Cb 1.65 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 40.27 1zit h PHE 66 CO 0.08 0.10 0.45 0.82 -2.23 0.00 0.00 178.31 177.53 1zit h ILE 67 N 0.31 0.92 0.00 1.41 5.03 -1.51 0.19 117.51 123.86 1zit h ILE 67 Ca 0.19 -0.26 -0.06 0.00 -0.12 0.00 0.00 64.86 64.60 1zit h ILE 67 Cb 0.17 0.09 -0.01 0.00 -3.03 0.00 0.00 36.82 34.04 1zit h ILE 67 CO -0.19 0.14 -0.29 0.11 -0.68 0.00 0.00 178.15 177.24 1zit h LYS 68 N 0.77 0.00 -0.44 2.37 1.57 -1.29 0.57 116.57 120.12 1zit h LYS 68 Ca 0.37 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.05 1zit h LYS 68 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1zit h LYS 68 CO -0.23 0.29 -0.14 1.49 -0.57 0.00 0.00 179.45 180.30 1zit h GLU 69 N 0.00 0.86 -0.08 3.15 4.81 0.27 -3.05 114.58 120.55 1zit h GLU 69 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1zit h GLU 69 Cb 1.16 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1zit h GLU 69 CO 0.04 0.98 0.00 0.09 -0.73 0.00 0.00 179.01 179.39 1zit n ASN 70 N -4.25 2.35 -2.73 1.04 3.02 -0.43 -4.79 115.26 109.46 1zit n ASN 70 Ca -0.01 -2.30 -0.08 0.00 -0.03 0.00 0.00 54.58 52.17 1zit n ASN 70 Cb 0.40 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.47 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1zit n SER 71 N -0.53 -2.57 0.28 6.41 7.64 0.20 -4.91 113.62 120.14 1zit n SER 71 Ca 0.07 -3.25 0.18 0.00 1.01 0.00 0.00 58.87 56.87 1zit n SER 71 Cb 0.40 1.76 0.76 0.00 -1.01 0.00 0.00 64.21 66.12 1zit n SER 71 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1zit h PRO 72 N 3.59 0.00 -0.62 1.43 0.11 -1.64 -2.24 132.00 132.63 1zit h PRO 72 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1zit h PRO 72 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1zit h PRO 72 CO 0.22 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.54 1zit n ASP 73 N -3.05 5.28 -0.41 -2.05 2.03 -1.26 -4.93 116.55 112.15 1zit n ASP 73 Ca 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1zit n ASP 73 Cb 0.26 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1zit n SER 74 N 0.79 0.00 -3.72 1.67 2.88 -0.84 -4.40 113.62 109.99 1zit n SER 74 Ca 0.26 -0.17 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 1zit n SER 74 Cb 1.07 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.42 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N 1.77 -0.01 -0.76 2.46 1.01 0.41 -4.89 120.40 120.39 1zit s VAL 75 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1zit s VAL 75 Cb 0.00 -0.58 0.20 0.00 0.00 0.00 0.00 36.38 36.00 1zit s VAL 75 CO 0.00 0.02 0.67 -0.69 0.00 0.00 0.00 175.10 175.10 1zit s VAL 76 N 0.76 5.14 -0.59 2.92 1.01 -1.26 0.05 120.40 128.43 1zit s VAL 76 Ca -0.04 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 59.43 1zit s VAL 76 Cb -0.05 -4.21 0.51 0.00 0.00 0.00 0.00 36.38 32.63 1zit s VAL 76 CO -0.05 -0.98 1.96 -0.38 0.00 0.00 0.00 175.10 175.65 1zit n ILE 77 N 3.95 3.46 -1.37 2.22 2.08 -0.80 -0.87 119.36 128.04 1zit n ILE 77 Ca 0.10 -2.69 -0.52 0.00 0.56 0.00 0.00 62.75 60.20 1zit n ILE 77 Cb 0.44 -0.95 -0.11 0.00 -0.75 0.00 0.00 39.64 38.28 1zit n ILE 77 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1zit n VAL 78 N -0.98 0.05 -3.96 1.39 0.31 -1.25 -4.46 118.33 109.43 1zit n VAL 78 Ca 0.61 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 64.51 1zit n VAL 78 Cb 0.96 -0.92 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 1zit n VAL 78 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1zit s ILE 79 N 7.27 5.19 0.03 2.52 1.01 -1.25 -3.25 121.20 132.72 1zit s ILE 79 Ca 1.19 -0.36 -0.23 0.00 0.00 0.00 0.00 60.65 61.25 1zit s ILE 79 Cb -1.21 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 37.84 1zit s ILE 79 CO 0.56 0.23 0.52 0.42 0.00 0.00 0.00 174.94 176.67 1zit s THR 80 N -1.38 0.03 -0.26 2.92 -4.23 -1.26 -3.15 115.64 108.30 1zit s THR 80 Ca 0.30 -0.24 -0.21 0.00 -1.18 0.00 0.00 61.69 60.36 1zit s THR 80 Cb -0.13 -0.95 0.07 0.00 1.34 0.00 0.00 72.50 72.83 1zit s THR 80 CO 0.22 -0.13 0.68 -0.83 -0.54 0.00 0.00 174.62 174.02 1zit s GLY 81 N -1.84 -0.55 -0.51 3.99 0.00 -1.26 -4.81 107.32 102.34 1zit s GLY 81 Ca -0.07 2.10 -0.08 0.00 0.00 0.00 0.00 44.72 46.67 1zit s GLY 81 CO 0.00 1.92 0.57 1.42 0.00 0.00 0.00 173.10 177.02 1zit n HIS 82 N 3.29 -2.91 0.00 1.90 8.25 -1.26 -4.92 115.22 119.56 1zit n HIS 82 Ca -0.16 1.15 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1zit n HIS 82 Cb 0.56 -3.82 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zit n GLY 83 N -0.93 -1.63 1.58 -1.41 0.00 -1.26 -5.02 105.19 96.52 1zit n GLY 83 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1zit n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zit n SER 84 N 0.00 -8.35 -1.49 1.61 7.64 -1.26 -4.86 113.62 106.91 1zit n SER 84 Ca 0.00 1.15 -0.11 0.00 1.01 0.00 0.00 58.87 60.92 1zit n SER 84 Cb 0.00 -4.20 0.18 0.00 -1.01 0.00 0.00 64.21 59.19 1zit n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 85 N 0.23 2.75 -0.07 0.44 0.24 -1.26 -4.55 118.33 116.11 1zit n VAL 85 Ca 0.00 -2.65 -0.21 0.00 -2.04 0.00 0.00 64.34 59.44 1zit n VAL 85 Cb 0.00 -0.42 -0.13 0.00 -1.47 0.00 0.00 33.84 31.82 1zit n VAL 85 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1zit n ASP 86 N -1.11 2.03 -0.08 -1.34 2.03 -1.26 -4.15 116.55 112.68 1zit n ASP 86 Ca 0.41 0.12 0.21 0.00 0.52 0.00 0.00 54.79 56.05 1zit n ASP 86 Cb 1.17 -0.71 0.66 0.00 -0.72 0.00 0.00 41.12 41.51 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zit h THR 87 N -0.16 0.70 0.78 5.18 1.03 -1.93 -0.48 112.91 118.03 1zit h THR 87 Ca -0.50 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 65.84 1zit h THR 87 Cb 1.87 0.61 -0.00 0.00 -1.07 0.00 0.00 68.15 69.56 1zit h THR 87 CO -0.05 0.02 -0.49 0.00 -0.01 0.00 0.00 175.52 174.98 1zit h ALA 88 N 1.67 -1.27 0.00 0.00 0.00 -1.88 1.23 119.26 119.02 1zit h ALA 88 Ca 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1zit h ALA 88 Cb 1.15 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1zit h ALA 88 CO -0.03 -1.23 -0.08 -0.39 0.00 0.00 0.00 179.25 177.52 1zit h VAL 89 N -1.20 0.59 0.00 0.00 -1.51 -1.45 0.58 116.25 113.27 1zit h VAL 89 Ca -0.10 -0.35 -0.24 0.00 -1.23 0.00 0.00 66.70 64.77 1zit h VAL 89 Cb 0.96 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 31.31 1zit h VAL 89 CO 0.09 0.08 -1.32 0.50 -1.23 0.00 0.00 177.57 175.69 1zit h LYS 90 N 0.00 0.00 0.13 5.19 3.64 -0.60 -3.20 116.57 121.73 1zit h LYS 90 Ca -0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1zit h LYS 90 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1zit h LYS 90 CO 0.01 0.75 -1.89 0.00 -2.27 0.00 0.00 179.45 176.05 1zit h ALA 91 N 1.02 0.38 0.00 5.00 0.00 0.22 -3.33 119.26 122.55 1zit h ALA 91 Ca -0.14 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.45 1zit h ALA 91 Cb 1.87 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1zit h ALA 91 CO 0.10 1.25 0.00 0.44 0.00 0.00 0.00 179.25 181.04 1zit n ILE 92 N -3.48 0.79 0.05 0.00 -5.35 0.20 -2.67 119.36 108.90 1zit n ILE 92 Ca -0.28 0.17 -0.16 0.00 -0.27 0.00 0.00 62.75 62.22 1zit n ILE 92 Cb 1.06 -0.94 -0.14 0.00 -1.74 0.00 0.00 39.64 37.87 1zit n ILE 92 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1zit h LYS 93 N 0.00 0.21 0.85 6.28 3.64 -1.67 -3.32 116.57 122.56 1zit h LYS 93 Ca 0.00 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1zit h LYS 93 Cb 0.35 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1zit h LYS 93 CO 0.00 1.05 -0.41 0.87 -2.27 0.00 0.00 179.45 178.69 1zit h LYS 94 N 0.06 -1.11 0.00 1.90 1.79 -1.61 -3.45 116.57 114.16 1zit h LYS 94 Ca -0.24 0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1zit h LYS 94 Cb 2.00 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 32.88 1zit h LYS 94 CO 0.15 -0.74 -0.05 0.41 -1.08 0.00 0.00 179.45 178.15 1zit n GLY 95 N -1.56 -0.25 3.98 3.86 0.00 -1.23 -5.02 105.19 104.97 1zit n GLY 95 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit s ALA 96 N 0.00 3.52 -0.42 4.61 0.00 -1.22 -4.81 121.76 123.43 1zit s ALA 96 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.44 1zit s ALA 96 Cb 0.00 -2.14 0.67 0.00 0.00 0.00 0.00 23.12 21.64 1zit s ALA 96 CO 0.00 -1.48 1.87 0.98 0.00 0.00 0.00 175.76 177.13 1zit n TYR 97 N -2.89 2.86 -0.16 0.00 9.36 -0.05 -4.86 117.16 121.42 1zit n TYR 97 Ca 0.14 -1.76 0.00 0.00 3.32 0.00 0.00 57.90 59.59 1zit n TYR 97 Cb 0.60 -0.89 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -1.04 -0.45 -2.00 2.98 0.28 -1.26 -4.89 120.64 114.25 1zit n GLU 98 Ca 0.56 0.34 -0.42 0.00 -0.16 0.00 0.00 57.16 57.47 1zit n GLU 98 Cb 1.60 -0.38 -0.03 0.00 1.43 0.00 0.00 31.44 34.06 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1zit s PHE 99 N -1.98 2.67 -0.74 -1.84 0.40 -1.26 -4.59 117.98 110.64 1zit s PHE 99 Ca 0.00 0.51 -0.19 0.00 -0.60 0.00 0.00 56.93 56.65 1zit s PHE 99 Cb 0.00 -3.88 -0.15 0.00 0.51 0.00 0.00 43.02 39.50 1zit s PHE 99 CO 0.00 -3.42 1.92 -0.11 0.70 0.00 0.00 175.22 174.31 1zit n LEU 100 N 5.16 4.00 -4.07 -0.37 -0.00 -1.20 -4.82 117.00 115.70 1zit n LEU 100 Ca 0.15 -2.78 -0.32 0.00 -0.00 0.00 0.00 56.01 53.06 1zit n LEU 100 Cb 0.41 -1.06 -0.15 0.00 -0.00 0.00 0.00 43.42 42.61 1zit n LEU 100 CO 0.61 -0.28 -0.47 -1.61 -0.00 0.00 0.00 177.39 175.64 1zit s GLU 101 N 4.81 2.30 0.19 1.96 0.41 -1.26 -4.59 118.70 122.51 1zit s GLU 101 Ca 0.53 -1.28 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 1zit s GLU 101 Cb 0.13 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1zit s GLU 101 CO 0.10 -0.53 0.00 1.63 -0.49 0.00 0.00 175.26 175.97 1zit n LYS 102 N 4.46 0.00 -0.08 1.61 5.02 -1.26 -5.16 118.16 122.75 1zit n LYS 102 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1zit n LYS 102 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1zit n PRO 103 N -2.90 0.41 -1.21 1.97 -0.04 -1.26 -5.03 135.00 126.93 1zit n PRO 103 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1zit n PRO 103 Cb 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 33.57 1zit n PRO 103 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zit n PHE 104 N -1.39 0.26 -3.15 0.54 -0.00 -1.26 -5.07 117.46 107.39 1zit n PHE 104 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 57.45 56.28 1zit n PHE 104 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 39.48 39.27 1zit n PHE 104 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1zit n SER 105 N -0.39 0.00 -0.07 -2.13 2.88 -1.26 -5.08 113.62 107.58 1zit n SER 105 Ca 0.15 -0.78 -0.07 0.00 -1.33 0.00 0.00 58.87 56.83 1zit n SER 105 Cb 0.91 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.27 1zit n SER 105 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1zit n VAL 106 N 0.00 0.91 -0.33 2.46 3.14 -1.26 -4.57 118.33 118.67 1zit n VAL 106 Ca 0.00 -0.52 0.23 0.00 -2.96 0.00 0.00 64.34 61.09 1zit n VAL 106 Cb 0.00 -0.73 0.44 0.00 -1.06 0.00 0.00 33.84 32.49 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1zit h GLU 107 N 0.00 0.01 -0.52 1.45 4.22 -2.00 1.12 114.58 118.86 1zit h GLU 107 Ca -0.36 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 58.99 1zit h GLU 107 Cb 1.76 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 1zit h GLU 107 CO 0.01 0.01 -0.05 -0.09 -2.18 0.00 0.00 179.01 176.71 1zit h ARG 108 N 0.01 0.94 -0.09 1.92 9.65 -2.02 -2.55 114.38 122.24 1zit h ARG 108 Ca 0.72 -0.32 0.03 0.00 -1.10 0.00 0.00 59.98 59.31 1zit h ARG 108 Cb 1.74 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 30.24 1zit h ARG 108 CO -0.85 0.98 0.07 0.35 2.80 0.00 0.00 179.97 183.32 1zit h PHE 109 N 0.81 0.00 -0.53 2.20 3.57 0.10 -1.42 116.94 121.67 1zit h PHE 109 Ca 0.14 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1zit h PHE 109 Cb 0.59 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1zit h PHE 109 CO 0.04 0.00 -0.02 1.25 -2.23 0.00 0.00 178.31 177.35 1zit h LEU 110 N 0.00 0.90 0.45 0.59 6.46 -0.83 -1.90 115.31 120.98 1zit h LEU 110 Ca 0.04 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 1zit h LEU 110 Cb 0.18 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1zit h LEU 110 CO -0.00 0.97 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.43 1zit h LEU 111 N 0.84 -0.72 -0.74 2.25 4.07 -1.25 -2.87 115.31 116.89 1zit h LEU 111 Ca 0.15 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.17 1zit h LEU 111 Cb 0.53 0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.45 1zit h LEU 111 CO 0.03 -0.45 0.49 0.74 -1.08 0.00 0.00 178.44 178.17 1zit h THR 112 N -0.71 1.19 -0.64 0.22 2.02 -1.53 -3.07 112.91 110.40 1zit h THR 112 Ca -0.05 -0.34 0.09 0.00 0.77 0.00 0.00 66.41 66.88 1zit h THR 112 Cb 0.58 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 66.98 1zit h THR 112 CO 0.04 0.18 -0.46 0.40 0.37 0.00 0.00 175.52 176.06 1zit h ILE 113 N 1.00 0.06 -0.16 3.11 1.08 -1.13 0.25 117.51 121.73 1zit h ILE 113 Ca 0.27 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.78 1zit h ILE 113 Cb -0.11 0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 33.64 1zit h ILE 113 CO -0.06 0.00 -0.54 0.50 -0.69 0.00 0.00 178.15 177.36 1zit h LYS 114 N -0.20 -0.54 -0.44 2.37 3.11 -1.42 0.50 116.57 119.94 1zit h LYS 114 Ca 0.18 0.04 0.13 0.00 -2.81 0.00 0.00 60.65 58.19 1zit h LYS 114 Cb 0.55 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 1zit h LYS 114 CO -0.73 -0.36 0.41 1.25 -2.81 0.00 0.00 179.45 177.21 1zit h HIS 115 N -0.56 0.00 -0.45 1.91 2.76 -1.29 0.77 115.15 118.28 1zit h HIS 115 Ca 0.04 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 1zit h HIS 115 Cb 0.67 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1zit h HIS 115 CO -0.60 0.00 -0.20 0.00 -1.30 0.00 0.00 177.93 175.83 1zit h ALA 116 N 1.59 0.64 0.00 5.26 0.00 0.34 -2.88 119.26 124.20 1zit h ALA 116 Ca 0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1zit h ALA 116 Cb 1.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1zit h ALA 116 CO -0.00 0.61 -0.23 0.74 0.00 0.00 0.00 179.25 180.37 1zit h PHE 117 N 0.78 0.00 -0.42 0.00 0.04 0.22 -2.99 116.94 114.56 1zit h PHE 117 Ca 0.10 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.00 1zit h PHE 117 Cb 0.77 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1zit h PHE 117 CO 0.05 0.23 0.48 0.93 -0.60 0.00 0.00 178.31 179.40 1zit h GLU 118 N 0.00 0.00 0.00 1.51 5.08 -1.24 0.81 114.58 120.74 1zit h GLU 118 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1zit h GLU 118 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1zit h GLU 118 CO 0.03 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.43 1zit n GLU 119 N -3.64 0.32 -1.06 2.33 1.02 -1.13 -3.05 120.64 115.43 1zit n GLU 119 Ca 0.08 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1zit n GLU 119 Cb 0.66 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.70 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1zit n TYR 120 N -1.30 0.13 -1.48 -0.32 9.36 0.28 -4.89 117.16 118.93 1zit n TYR 120 Ca 0.11 -1.14 0.00 0.00 3.32 0.00 0.00 57.90 60.19 1zit n TYR 120 Cb 0.20 -0.21 0.00 0.00 -0.63 0.00 0.00 39.34 38.70 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51