#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 0.81 -0.09 2.12 -0.14 -1.26 -5.12 119.74 116.06 1zit s LYS 2 Ca 0.00 -0.04 -0.06 0.00 -1.36 0.00 0.00 55.97 54.51 1zit s LYS 2 Cb 0.00 -0.95 0.03 0.00 -1.68 0.00 0.00 37.83 35.23 1zit s LYS 2 CO 0.00 -0.18 0.22 1.03 -0.76 0.00 0.00 175.35 175.67 1zit s ARG 3 N 1.36 0.21 0.14 1.68 3.00 -1.26 -1.20 118.95 122.89 1zit s ARG 3 Ca -0.04 0.42 0.09 0.00 0.00 0.00 0.00 55.73 56.20 1zit s ARG 3 Cb -0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 34.95 34.75 1zit s ARG 3 CO -0.03 -0.11 -0.21 0.08 0.00 0.00 0.00 175.30 175.04 1zit s VAL 4 N 0.77 1.86 -0.19 3.52 1.01 0.48 -3.79 120.40 124.06 1zit s VAL 4 Ca -0.05 -1.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.09 1zit s VAL 4 Cb -0.07 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1zit s VAL 4 CO -0.05 -0.16 0.05 -0.22 0.00 0.00 0.00 175.10 174.72 1zit s LEU 5 N -2.31 3.65 -0.57 3.92 2.96 0.17 -2.04 118.68 124.46 1zit s LEU 5 Ca 0.12 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1zit s LEU 5 Cb -0.08 -1.93 0.15 0.00 0.50 0.00 0.00 46.19 44.83 1zit s LEU 5 CO 0.06 0.13 0.37 -0.69 -1.32 0.00 0.00 176.35 174.90 1zit s VAL 6 N 0.62 3.50 -0.34 1.68 1.01 -1.26 0.18 120.40 125.79 1zit s VAL 6 Ca 0.02 -2.80 -0.29 0.00 0.00 0.00 0.00 61.98 58.91 1zit s VAL 6 Cb -0.13 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1zit s VAL 6 CO 0.02 -0.83 1.14 -0.69 0.00 0.00 0.00 175.10 174.74 1zit s VAL 7 N 0.17 4.38 0.06 2.92 1.01 -0.01 -1.19 120.40 127.74 1zit s VAL 7 Ca 0.15 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 1zit s VAL 7 Cb -0.21 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 31.85 1zit s VAL 7 CO -0.03 -0.55 0.55 -0.62 0.00 0.00 0.00 175.10 174.44 1zit s ASP 8 N 2.04 -0.48 -0.35 3.32 2.15 -1.19 0.34 116.67 122.51 1zit s ASP 8 Ca 0.48 0.17 -0.04 0.00 0.43 0.00 0.00 52.55 53.60 1zit s ASP 8 Cb -0.13 0.52 -0.00 0.00 -0.30 0.00 0.00 42.92 43.01 1zit s ASP 8 CO 0.19 -0.76 2.90 -0.67 -0.17 0.00 0.00 175.17 176.67 1zit n ASP 9 N 0.27 6.20 -4.44 -0.34 2.03 -1.03 -3.58 116.55 115.66 1zit n ASP 9 Ca -0.18 -3.04 -0.21 0.00 0.52 0.00 0.00 54.79 51.88 1zit n ASP 9 Cb 0.61 -1.26 -0.10 0.00 -0.72 0.00 0.00 41.12 39.64 1zit n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1zit s GLU 10 N -1.13 1.59 0.00 -0.67 2.02 -1.26 -4.89 118.70 114.35 1zit s GLU 10 Ca 0.59 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.73 1zit s GLU 10 Cb 0.36 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.56 1zit s GLU 10 CO -0.16 -0.07 0.00 -1.91 0.02 0.00 0.00 175.26 173.14 1zit n GLU 11 N -0.63 2.47 -1.39 1.61 2.13 -1.26 -4.71 120.64 118.85 1zit n GLU 11 Ca -0.04 0.00 -0.51 0.00 0.66 0.00 0.00 57.16 57.27 1zit n GLU 11 Cb 0.65 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.25 1zit n GLU 11 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zit n SER 12 N 0.00 1.06 -1.29 4.31 3.41 -1.26 -4.46 113.62 115.39 1zit n SER 12 Ca 0.00 0.39 0.15 0.00 -0.26 0.00 0.00 58.87 59.15 1zit n SER 12 Cb 0.00 -1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 62.85 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1zit n ILE 13 N 7.06 -0.11 -2.13 -1.33 2.08 -1.26 -4.87 119.36 118.81 1zit n ILE 13 Ca 0.54 0.46 -0.27 0.00 0.56 0.00 0.00 62.75 64.03 1zit n ILE 13 Cb 0.09 -0.86 0.06 0.00 -0.75 0.00 0.00 39.64 38.18 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -3.42 2.66 0.02 1.39 -4.23 -1.26 -4.86 115.64 105.94 1zit s THR 14 Ca 0.00 -0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.16 1zit s THR 14 Cb 0.00 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 1zit s THR 14 CO 0.00 -0.18 1.31 -0.55 -0.54 0.00 0.00 174.62 174.66 1zit s SER 15 N -4.47 6.94 0.00 3.99 0.15 -1.26 -3.56 113.70 115.49 1zit s SER 15 Ca 0.59 2.07 0.00 0.00 0.70 0.00 0.00 55.95 59.31 1zit s SER 15 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1zit s SER 15 CO 0.47 -0.62 0.00 -0.24 1.20 0.00 0.00 173.24 174.05 1zit n SER 16 N 4.77 0.00 -0.12 5.45 2.88 -1.26 -4.80 113.62 120.54 1zit n SER 16 Ca 0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 1zit n SER 16 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1zit h LEU 17 N 0.00 -1.65 -0.88 2.46 6.46 -1.82 -2.57 115.31 117.31 1zit h LEU 17 Ca 0.00 0.22 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1zit h LEU 17 Cb 0.00 0.67 -0.11 0.00 -0.73 0.00 0.00 40.66 40.50 1zit h LEU 17 CO 0.00 -0.36 -0.52 -0.24 -0.62 0.00 0.00 178.44 176.70 1zit n SER 18 N -5.08 -0.93 -0.33 1.25 2.88 -1.26 0.13 113.62 110.28 1zit n SER 18 Ca -0.03 1.67 0.25 0.00 -1.33 0.00 0.00 58.87 59.43 1zit n SER 18 Cb 0.31 -0.26 0.54 0.00 -0.75 0.00 0.00 64.21 64.04 1zit n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zit h ALA 19 N 0.33 2.33 -0.34 -1.46 0.00 -1.84 0.55 119.26 118.83 1zit h ALA 19 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1zit h ALA 19 Cb 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zit h ALA 19 CO -0.82 -0.76 0.00 -0.89 0.00 0.00 0.00 179.25 176.78 1zit n ILE 20 N -4.61 0.00 -0.21 0.00 5.41 0.34 -2.44 119.36 117.84 1zit n ILE 20 Ca 0.26 0.64 0.29 0.00 1.00 0.00 0.00 62.75 64.95 1zit n ILE 20 Cb 0.95 -1.55 0.72 0.00 -0.71 0.00 0.00 39.64 39.05 1zit n ILE 20 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1zit h LEU 21 N 0.00 0.02 -0.70 1.39 -0.00 -0.10 1.18 115.31 117.10 1zit h LEU 21 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 1zit h LEU 21 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1zit h LEU 21 CO 0.00 0.01 -0.42 -0.08 -0.00 0.00 0.00 178.44 177.94 1zit h GLU 22 N 0.02 0.00 0.18 0.17 4.81 -0.01 -2.21 114.58 117.53 1zit h GLU 22 Ca 0.46 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.38 1zit h GLU 22 Cb 1.80 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.19 1zit h GLU 22 CO -0.01 0.42 -1.39 1.49 -0.73 0.00 0.00 179.01 178.79 1zit h GLU 23 N 0.00 0.38 0.00 1.92 4.81 0.17 -3.27 114.58 118.59 1zit h GLU 23 Ca -0.00 -0.65 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 1zit h GLU 23 Cb 1.04 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1zit h GLU 23 CO 0.06 1.30 -0.30 0.93 -0.73 0.00 0.00 179.01 180.26 1zit h GLU 24 N 0.10 0.00 -0.23 1.92 4.39 -1.07 -3.47 114.58 116.22 1zit h GLU 24 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1zit h GLU 24 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1zit h GLU 24 CO 0.23 0.30 0.00 0.41 -1.16 0.00 0.00 179.01 178.79 1zit n GLY 25 N -0.53 0.85 2.94 -3.84 0.00 -1.02 -5.11 105.19 98.48 1zit n GLY 25 Ca -0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.36 -0.11 -3.94 1.61 4.01 -0.86 -4.80 117.16 112.71 1zit n TYR 26 Ca 0.00 -1.89 -0.31 0.00 -0.16 0.00 0.00 57.90 55.55 1zit n TYR 26 Cb 0.09 -0.32 -0.15 0.00 -0.31 0.00 0.00 39.34 38.65 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1zit s HIS 27 N -2.26 2.64 -0.15 -0.72 2.46 -0.34 -4.75 115.29 112.17 1zit s HIS 27 Ca 0.15 -2.05 -0.17 0.00 0.47 0.00 0.00 55.06 53.46 1zit s HIS 27 Cb -0.01 -1.89 -0.04 0.00 -0.13 0.00 0.00 32.58 30.51 1zit s HIS 27 CO 0.09 -0.83 0.44 -1.25 -2.47 0.00 0.00 174.74 170.72 1zit s PRO 28 N 1.30 4.28 0.00 2.88 0.04 -1.26 -0.39 135.00 141.86 1zit s PRO 28 Ca -0.01 0.35 0.15 0.00 0.04 0.00 0.00 61.00 61.53 1zit s PRO 28 Cb -0.19 -3.47 0.32 0.00 0.04 0.00 0.00 34.50 31.20 1zit s PRO 28 CO -0.09 0.09 1.22 -3.47 0.04 0.00 0.00 177.00 174.79 1zit n ASP 29 N 3.97 2.92 0.00 6.66 2.03 -0.86 -4.99 116.55 126.28 1zit n ASP 29 Ca -0.08 -1.87 0.00 0.00 0.52 0.00 0.00 54.79 53.36 1zit n ASP 29 Cb 0.51 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.88 0.00 -2.44 5.18 -2.24 -1.26 -4.74 114.28 109.66 1zit n THR 30 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1zit n THR 30 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.00 0.00 -0.07 6.98 0.00 -0.33 -4.85 120.51 122.24 1zit n ALA 31 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1zit n ALA 31 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.17 0.34 -2.70 0.00 5.02 -1.23 -3.15 118.16 116.26 1zit n LYS 32 Ca 0.00 0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1zit n LYS 32 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zit n THR 33 N -2.97 0.00 -0.12 -0.18 -2.24 -1.26 -2.47 114.28 105.05 1zit n THR 33 Ca -0.25 -0.72 -0.09 0.00 -2.27 0.00 0.00 64.05 60.72 1zit n THR 33 Cb 0.76 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zit h LEU 34 N 0.00 0.45 -0.30 3.22 3.38 -1.96 0.86 115.31 120.96 1zit h LEU 34 Ca -0.18 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1zit h LEU 34 Cb 0.70 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1zit h LEU 34 CO 0.23 0.42 0.17 -0.09 0.09 0.00 0.00 178.44 179.26 1zit h ARG 35 N 0.45 0.41 -0.02 1.13 2.43 -1.99 0.26 114.38 117.04 1zit h ARG 35 Ca 0.13 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1zit h ARG 35 Cb 0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1zit h ARG 35 CO -0.02 0.34 -0.40 1.49 -1.51 0.00 0.00 179.97 179.87 1zit h GLU 36 N 0.37 0.05 -0.05 0.20 4.57 -1.89 -2.57 114.58 115.27 1zit h GLU 36 Ca 0.11 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 1zit h GLU 36 Cb 0.04 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1zit h GLU 36 CO -0.02 0.45 -0.56 0.00 -1.18 0.00 0.00 179.01 177.70 1zit h ALA 37 N 1.55 0.98 -0.36 2.92 0.00 0.14 -2.28 119.26 122.21 1zit h ALA 37 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 1zit h ALA 37 Cb 0.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zit h ALA 37 CO 0.05 0.70 -0.42 0.93 0.00 0.00 0.00 179.25 180.51 1zit h GLU 38 N 0.11 0.92 -0.27 0.00 5.08 -0.59 -0.68 114.58 119.15 1zit h GLU 38 Ca -0.00 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1zit h GLU 38 Cb 1.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1zit h GLU 38 CO 0.08 1.16 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.93 1zit h LYS 39 N 0.73 0.44 -0.04 2.33 3.11 -1.33 0.12 116.57 121.93 1zit h LYS 39 Ca 0.05 -0.11 -0.23 0.00 -2.81 0.00 0.00 60.65 57.55 1zit h LYS 39 Cb 1.02 -0.05 0.01 0.00 -1.00 0.00 0.00 32.23 32.20 1zit h LYS 39 CO 0.10 0.55 -0.90 0.87 -2.81 0.00 0.00 179.45 177.25 1zit h LYS 40 N 0.42 0.56 0.00 1.90 1.57 -1.21 -3.20 116.57 116.61 1zit h LYS 40 Ca 0.08 -0.55 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 1zit h LYS 40 Cb 0.43 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1zit h LYS 40 CO 0.02 1.17 -0.47 0.82 -0.57 0.00 0.00 179.45 180.43 1zit h ILE 41 N 0.34 0.94 0.00 1.86 2.04 -0.80 -2.82 117.51 119.08 1zit h ILE 41 Ca -0.08 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1zit h ILE 41 Cb 1.53 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1zit h ILE 41 CO 0.17 0.46 0.00 1.17 0.00 0.00 0.00 178.15 179.95 1zit n LYS 42 N -3.41 0.16 -0.04 2.37 0.00 0.40 -3.11 118.16 114.53 1zit n LYS 42 Ca 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 58.31 58.43 1zit n LYS 42 Cb 0.62 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 34.09 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1zit n GLU 43 N -1.37 2.62 -4.28 1.64 1.02 -1.15 -5.04 120.64 114.09 1zit n GLU 43 Ca 0.07 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 1zit n GLU 43 Cb 0.16 -1.19 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 1zit n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1zit s LEU 44 N -4.61 2.45 -0.65 -4.62 0.20 -1.08 -5.10 118.68 105.27 1zit s LEU 44 Ca -0.04 -0.87 -0.19 0.00 0.69 0.00 0.00 54.13 53.72 1zit s LEU 44 Cb 0.02 -0.61 0.11 0.00 -0.43 0.00 0.00 46.19 45.29 1zit s LEU 44 CO 0.29 -0.14 0.78 0.12 -0.29 0.00 0.00 176.35 177.11 1zit s PHE 45 N -2.36 3.04 -0.15 5.38 2.19 -1.26 -4.47 117.98 120.34 1zit s PHE 45 Ca 0.13 -1.05 -0.29 0.00 0.33 0.00 0.00 56.93 56.05 1zit s PHE 45 Cb -0.04 -4.06 -0.01 0.00 -1.31 0.00 0.00 43.02 37.61 1zit s PHE 45 CO 0.04 -1.33 1.00 -0.06 1.83 0.00 0.00 175.22 176.70 1zit s PHE 46 N 2.62 3.45 -0.31 10.12 0.08 -1.26 -4.93 117.98 127.75 1zit s PHE 46 Ca 0.15 1.52 0.21 0.00 0.12 0.00 0.00 56.93 58.93 1zit s PHE 46 Cb -0.20 -3.20 0.17 0.00 -0.57 0.00 0.00 43.02 39.22 1zit s PHE 46 CO 0.04 -0.31 1.40 -1.00 -0.10 0.00 0.00 175.22 175.25 1zit h PRO 47 N 7.23 0.00 -2.90 0.24 0.13 -1.86 -3.41 132.00 131.44 1zit h PRO 47 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1zit h PRO 47 Cb 1.12 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.98 1zit h PRO 47 CO 0.89 0.14 -0.38 0.08 -0.23 0.00 0.00 178.00 178.50 1zit s VAL 48 N -3.16 -0.02 0.29 1.56 1.01 -1.25 0.68 120.40 119.50 1zit s VAL 48 Ca 0.04 0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.22 1zit s VAL 48 Cb 0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1zit s VAL 48 CO 0.72 0.03 -0.17 -0.63 0.00 0.00 0.00 175.10 175.05 1zit s ILE 49 N 0.91 2.49 -0.30 2.22 -1.09 0.24 0.41 121.20 126.09 1zit s ILE 49 Ca -0.06 -2.35 0.03 0.00 -2.23 0.00 0.00 60.65 56.03 1zit s ILE 49 Cb -0.07 -2.38 0.17 0.00 -1.58 0.00 0.00 42.46 38.60 1zit s ILE 49 CO -0.07 -0.37 0.44 -0.69 -1.23 0.00 0.00 174.94 173.03 1zit s VAL 50 N -2.52 -0.68 0.93 2.92 1.01 0.47 -1.85 120.40 120.68 1zit s VAL 50 Ca 0.30 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1zit s VAL 50 Cb -0.04 -0.96 0.15 0.00 0.00 0.00 0.00 36.38 35.53 1zit s VAL 50 CO 0.15 -0.25 1.09 -0.22 0.00 0.00 0.00 175.10 175.87 1zit s LEU 51 N 2.53 2.05 -0.49 3.92 2.96 -1.25 -0.83 118.68 127.57 1zit s LEU 51 Ca 0.10 1.44 0.05 0.00 -0.22 0.00 0.00 54.13 55.50 1zit s LEU 51 Cb -0.12 -3.77 0.21 0.00 0.50 0.00 0.00 46.19 43.01 1zit s LEU 51 CO -0.28 -2.85 0.83 -0.67 -1.32 0.00 0.00 176.35 172.06 1zit n ASP 52 N -4.01 -3.04 -4.11 3.68 2.03 0.15 -2.48 116.55 108.77 1zit n ASP 52 Ca 0.06 -2.87 -0.30 0.00 0.52 0.00 0.00 54.79 52.20 1zit n ASP 52 Cb 0.56 1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 42.53 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1zit n VAL 53 N 2.40 0.64 0.00 5.18 0.31 -1.12 -4.21 118.33 121.54 1zit n VAL 53 Ca 0.14 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1zit n VAL 53 Cb 0.60 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1zit n TRP 54 N 13.80 0.00 -2.71 3.52 -0.00 -1.26 -4.27 117.44 126.51 1zit n TRP 54 Ca 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.91 1zit n TRP 54 Cb 0.44 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.85 1zit n TRP 54 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1zit n MET 55 N -0.50 1.36 0.00 5.87 2.81 -1.26 -5.01 117.12 120.39 1zit n MET 55 Ca 0.00 -2.18 0.00 0.00 -1.81 0.00 0.00 57.70 53.71 1zit n MET 55 Cb 0.00 -0.39 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1zit n PRO 56 N -0.86 0.00 0.02 0.03 -0.04 -1.26 -5.07 135.00 127.82 1zit n PRO 56 Ca -0.04 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1zit n PRO 56 Cb 0.85 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 34.14 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 -1.63 -0.31 0.00 3.54 8.00 -1.26 -5.14 116.55 119.75 1zit n ASP 57 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1zit n ASP 57 Cb 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.25 3.13 3.24 0.44 0.00 -1.26 -4.89 105.19 104.61 1zit n GLY 58 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N 3.09 -4.29 -3.55 1.61 9.92 -1.26 -4.96 116.55 117.12 1zit n ASP 59 Ca 0.00 -0.50 -0.33 0.00 -0.53 0.00 0.00 54.79 53.43 1zit n ASP 59 Cb 0.00 -4.48 -0.04 0.00 -0.64 0.00 0.00 41.12 35.96 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zit n GLY 60 N -1.53 5.14 0.31 0.44 0.00 -1.26 -4.85 105.19 103.44 1zit n GLY 60 Ca -0.10 -2.73 0.06 0.00 0.00 0.00 0.00 46.02 43.25 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 3.14 1.06 -0.09 1.61 2.07 -1.92 0.22 116.25 122.34 1zit h VAL 61 Ca 0.22 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1zit h VAL 61 Cb 0.60 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1zit h VAL 61 CO 1.01 0.09 0.00 0.59 0.02 0.00 0.00 177.57 179.28 1zit n ASN 62 N -4.48 0.74 0.04 0.57 3.02 -1.26 -3.81 115.26 110.08 1zit n ASN 62 Ca 0.04 -1.68 -0.09 0.00 -0.03 0.00 0.00 54.58 52.82 1zit n ASN 62 Cb 0.12 -0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1zit h PHE 63 N 0.93 0.58 -0.90 3.10 3.57 -1.34 -3.11 116.94 119.76 1zit h PHE 63 Ca 0.00 -0.23 0.23 0.00 3.53 0.00 0.00 57.97 61.50 1zit h PHE 63 Cb 0.21 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1zit h PHE 63 CO 0.06 0.96 0.62 0.82 -2.23 0.00 0.00 178.31 178.54 1zit h ILE 64 N 0.33 0.61 -0.04 1.41 5.03 -1.74 0.37 117.51 123.49 1zit h ILE 64 Ca -0.01 -0.08 -0.17 0.00 -0.12 0.00 0.00 64.86 64.48 1zit h ILE 64 Cb 1.17 0.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 1zit h ILE 64 CO 0.11 0.04 -0.74 -0.78 -0.68 0.00 0.00 178.15 176.10 1zit h ASP 65 N 0.23 0.32 -0.71 1.72 3.58 -1.82 -3.06 116.42 116.67 1zit h ASP 65 Ca 0.46 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1zit h ASP 65 Cb 1.42 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.34 1zit h ASP 65 CO -0.11 0.95 0.46 0.15 -2.88 0.00 0.00 179.24 177.81 1zit h PHE 66 N 0.18 0.90 -0.48 0.28 3.04 -0.33 0.89 116.94 121.42 1zit h PHE 66 Ca -0.03 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1zit h PHE 66 Cb 1.31 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 1zit h PHE 66 CO 0.03 0.58 0.27 0.82 -2.02 0.00 0.00 178.31 177.99 1zit h ILE 67 N 0.97 1.16 0.00 1.41 5.03 -1.43 -1.82 117.51 122.83 1zit h ILE 67 Ca 0.26 -0.39 -0.04 0.00 -0.12 0.00 0.00 64.86 64.56 1zit h ILE 67 Cb -0.10 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 1zit h ILE 67 CO -0.05 0.17 -0.20 0.11 -0.68 0.00 0.00 178.15 177.50 1zit h LYS 68 N 0.63 0.00 -0.45 2.37 1.79 -1.34 0.84 116.57 120.42 1zit h LYS 68 Ca 0.17 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.53 1zit h LYS 68 Cb 0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1zit h LYS 68 CO -0.03 0.20 -0.15 1.49 -1.08 0.00 0.00 179.45 179.88 1zit h GLU 69 N 0.00 0.85 0.00 3.15 4.81 0.16 -3.16 114.58 120.39 1zit h GLU 69 Ca -0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1zit h GLU 69 Cb 0.89 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1zit h GLU 69 CO 0.03 0.94 -0.09 0.09 -0.73 0.00 0.00 179.01 179.25 1zit n ASN 70 N -4.14 1.79 -2.71 1.04 3.02 -0.85 -4.85 115.26 108.56 1zit n ASN 70 Ca 0.01 -2.66 -0.06 0.00 -0.03 0.00 0.00 54.58 51.83 1zit n ASN 70 Cb 0.40 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.00 -2.16 0.29 6.41 7.64 0.29 -4.76 113.62 120.33 1zit n SER 71 Ca 0.10 -2.62 0.18 0.00 1.01 0.00 0.00 58.87 57.54 1zit n SER 71 Cb 0.59 1.33 0.76 0.00 -1.01 0.00 0.00 64.21 65.88 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 3.57 0.00 -0.66 1.43 0.11 -1.67 -2.67 132.00 132.11 1zit h PRO 72 Ca -0.19 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.56 1zit h PRO 72 Cb 1.11 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.01 1zit h PRO 72 CO 0.09 0.00 0.24 -3.47 -0.21 0.00 0.00 178.00 174.65 1zit n ASP 73 N -3.09 3.34 -0.50 -2.05 -0.08 -1.26 -4.98 116.55 107.94 1zit n ASP 73 Ca 0.00 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.56 1zit n ASP 73 Cb 0.27 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1zit n SER 74 N -1.11 0.83 -3.73 1.67 2.88 -1.01 -4.76 113.62 108.39 1zit n SER 74 Ca 0.46 -0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.63 1zit n SER 74 Cb 1.27 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.62 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 1.24 -0.02 -0.28 2.46 1.01 0.21 -4.86 120.40 120.17 1zit s VAL 75 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1zit s VAL 75 Cb 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1zit s VAL 75 CO 0.00 0.02 0.08 -0.69 0.00 0.00 0.00 175.10 174.51 1zit s VAL 76 N 0.77 4.11 -0.42 2.92 1.01 -1.26 0.81 120.40 128.34 1zit s VAL 76 Ca -0.05 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1zit s VAL 76 Cb -0.06 -3.04 0.43 0.00 0.00 0.00 0.00 36.38 33.71 1zit s VAL 76 CO -0.05 0.18 1.11 -0.38 0.00 0.00 0.00 175.10 175.95 1zit n ILE 77 N 4.89 2.33 -1.54 2.22 2.08 -0.77 -0.41 119.36 128.16 1zit n ILE 77 Ca -0.15 -4.79 -0.51 0.00 0.56 0.00 0.00 62.75 57.86 1zit n ILE 77 Cb 0.49 -1.17 -0.05 0.00 -0.75 0.00 0.00 39.64 38.16 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 -0.49 0.86 -4.33 1.39 0.31 -1.26 -3.80 118.33 111.02 1zit n VAL 78 Ca 0.38 -0.22 -0.17 0.00 -0.01 0.00 0.00 64.34 64.33 1zit n VAL 78 Cb 0.70 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.26 0.81 0.43 2.52 1.01 -1.03 -2.75 121.20 121.93 1zit s ILE 79 Ca 0.75 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1zit s ILE 79 Cb -0.94 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1zit s ILE 79 CO 0.54 -0.18 0.00 0.41 0.00 0.00 0.00 174.94 175.71 1zit n THR 80 N -0.44 -1.09 -3.97 2.92 -1.04 -1.26 -2.78 114.28 106.61 1zit n THR 80 Ca -0.03 0.78 -0.10 0.00 -2.04 0.00 0.00 64.05 62.66 1zit n THR 80 Cb 0.65 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 1zit n THR 80 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1zit s GLY 81 N -5.77 0.63 0.09 3.41 0.00 -1.26 -4.47 107.32 99.95 1zit s GLY 81 Ca 0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.56 1zit s GLY 81 CO 0.00 -0.58 1.71 1.12 0.00 0.00 0.00 173.10 175.35 1zit h HIS 82 N 2.15 -0.18 0.00 1.90 2.07 -1.97 -3.46 115.15 115.66 1zit h HIS 82 Ca -0.27 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1zit h HIS 82 Cb 1.25 0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.29 1zit h HIS 82 CO 0.80 -0.11 0.00 0.41 -3.07 0.00 0.00 177.93 175.96 1zit n GLY 83 N -1.18 -0.20 3.92 6.13 0.00 -1.26 -5.15 105.19 107.46 1zit n GLY 83 Ca -0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1zit n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zit s SER 84 N -1.58 5.41 -1.35 1.61 0.15 -1.26 -5.02 113.70 111.67 1zit s SER 84 Ca 0.00 -0.51 -0.09 0.00 0.70 0.00 0.00 55.95 56.05 1zit s SER 84 Cb 0.00 -0.80 0.12 0.00 -1.71 0.00 0.00 66.02 63.62 1zit s SER 84 CO 0.00 -0.57 2.15 0.52 1.20 0.00 0.00 173.24 176.54 1zit n VAL 85 N -1.60 4.44 0.01 4.45 0.31 -1.26 -4.44 118.33 120.24 1zit n VAL 85 Ca 0.03 -4.03 -0.03 0.00 -0.01 0.00 0.00 64.34 60.30 1zit n VAL 85 Cb 0.60 -2.35 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 1zit n VAL 85 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1zit n ASP 86 N 3.62 1.21 -0.35 4.52 2.03 -1.26 -4.53 116.55 121.79 1zit n ASP 86 Ca 0.50 0.17 0.30 0.00 0.52 0.00 0.00 54.79 56.28 1zit n ASP 86 Cb 0.33 -0.41 0.61 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.25 0.41 0.77 5.18 1.03 -1.97 0.76 112.91 118.83 1zit h THR 87 Ca -0.02 -0.07 -0.03 0.00 -0.01 0.00 0.00 66.41 66.27 1zit h THR 87 Cb 0.37 0.18 -0.00 0.00 -1.07 0.00 0.00 68.15 67.63 1zit h THR 87 CO -0.01 0.04 -0.48 0.00 -0.01 0.00 0.00 175.52 175.06 1zit h ALA 88 N 1.54 -1.22 0.00 0.00 0.00 -1.88 0.67 119.26 118.37 1zit h ALA 88 Ca 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1zit h ALA 88 Cb 1.98 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 20.36 1zit h ALA 88 CO -0.22 -1.20 -0.05 -0.39 0.00 0.00 0.00 179.25 177.39 1zit h VAL 89 N -1.17 0.54 0.00 0.00 -1.51 -1.19 0.87 116.25 113.79 1zit h VAL 89 Ca -0.10 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1zit h VAL 89 Cb 0.94 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1zit h VAL 89 CO 0.10 0.05 -0.45 0.50 -1.23 0.00 0.00 177.57 176.54 1zit h LYS 90 N 0.00 0.00 0.00 5.19 3.64 -0.26 -3.16 116.57 121.98 1zit h LYS 90 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1zit h LYS 90 Cb 0.14 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1zit h LYS 90 CO 0.01 0.00 -2.06 0.00 -2.27 0.00 0.00 179.45 175.13 1zit n ALA 91 N -2.07 1.61 0.38 5.00 0.00 0.23 -4.36 120.51 121.30 1zit n ALA 91 Ca 0.03 -0.96 0.13 0.00 0.00 0.00 0.00 53.44 52.64 1zit n ALA 91 Cb 0.52 -0.04 0.33 0.00 0.00 0.00 0.00 19.45 20.26 1zit n ALA 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1zit h ILE 92 N 0.00 0.00 0.00 0.00 3.07 0.54 -3.10 117.51 118.02 1zit h ILE 92 Ca -0.42 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.29 1zit h ILE 92 Cb 1.87 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 40.10 1zit h ILE 92 CO -0.00 0.00 -0.49 0.11 -1.05 0.00 0.00 178.15 176.72 1zit h LYS 93 N 0.00 0.00 0.00 0.16 1.57 -1.73 -3.30 116.57 113.27 1zit h LYS 93 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1zit h LYS 93 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1zit h LYS 93 CO 0.00 0.00 -0.46 -0.22 -0.57 0.00 0.00 179.45 178.20 1zit h LYS 94 N 0.00 0.00 0.00 3.15 3.64 -1.74 -3.46 116.57 118.16 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 94 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1zit h LYS 94 CO 0.00 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 1zit n GLY 95 N 1.21 0.12 3.07 5.01 0.00 -1.24 -4.98 105.19 108.39 1zit n GLY 95 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit n ALA 96 N 0.00 -1.66 -1.25 4.61 0.00 -1.20 -4.89 120.51 116.12 1zit n ALA 96 Ca 0.00 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.18 1zit n ALA 96 Cb 0.00 -1.01 0.21 0.00 0.00 0.00 0.00 19.45 18.65 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -4.45 2.28 0.00 0.00 9.36 0.45 -4.85 117.16 119.95 1zit n TYR 97 Ca 0.05 -1.60 0.00 0.00 3.32 0.00 0.00 57.90 59.67 1zit n TYR 97 Cb 0.42 -0.74 0.00 0.00 -0.63 0.00 0.00 39.34 38.39 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 -0.92 0.00 -1.75 2.98 0.28 -1.26 -4.95 120.64 115.02 1zit n GLU 98 Ca 0.47 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 57.07 1zit n GLU 98 Cb 1.40 0.00 0.03 0.00 1.43 0.00 0.00 31.44 34.30 1zit n GLU 98 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1zit n PHE 99 N -0.76 2.50 -2.80 -1.84 3.01 -1.26 -4.62 117.46 111.69 1zit n PHE 99 Ca 0.00 0.44 -0.43 0.00 1.01 0.00 0.00 57.45 58.47 1zit n PHE 99 Cb 0.00 -2.42 -0.04 0.00 -0.01 0.00 0.00 39.48 37.01 1zit n PHE 99 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1zit s LEU 100 N -2.84 4.02 0.78 4.37 1.98 -1.11 -5.03 118.68 120.85 1zit s LEU 100 Ca 0.65 -0.37 -0.12 0.00 -2.89 0.00 0.00 54.13 51.39 1zit s LEU 100 Cb -0.44 -2.81 0.06 0.00 0.66 0.00 0.00 46.19 43.66 1zit s LEU 100 CO 0.55 -1.30 1.14 -0.70 -1.89 0.00 0.00 176.35 174.14 1zit s GLU 101 N 4.15 2.01 -0.69 1.98 -6.30 -1.26 -4.22 118.70 114.37 1zit s GLU 101 Ca 0.31 1.47 -0.02 0.00 -2.50 0.00 0.00 54.97 54.24 1zit s GLU 101 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 34.13 32.14 1zit s GLU 101 CO 0.19 -1.88 0.64 1.17 0.02 0.00 0.00 175.26 175.40 1zit n LYS 102 N -3.27 -1.33 -1.20 4.30 4.81 -1.26 -4.60 118.16 115.61 1zit n LYS 102 Ca 0.11 1.14 -0.30 0.00 -0.87 0.00 0.00 58.31 58.39 1zit n LYS 102 Cb 0.52 -5.05 -0.08 0.00 0.02 0.00 0.00 35.03 30.44 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1zit n PRO 103 N -2.04 3.13 -0.01 1.64 -0.04 -1.26 -4.36 135.00 132.05 1zit n PRO 103 Ca -0.02 -1.79 -0.02 0.00 -0.04 0.00 0.00 63.50 61.63 1zit n PRO 103 Cb 0.53 -2.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.21 0.00 -2.30 0.54 7.35 -1.26 -4.87 117.46 120.14 1zit n PHE 104 Ca 0.67 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.32 1zit n PHE 104 Cb 0.46 -0.09 0.07 0.00 0.35 0.00 0.00 39.48 40.27 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1zit n SER 105 N -2.90 2.30 -1.23 -2.13 7.64 -1.26 -4.96 113.62 111.08 1zit n SER 105 Ca -0.02 -2.84 -0.11 0.00 1.01 0.00 0.00 58.87 56.91 1zit n SER 105 Cb 0.09 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.84 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 106 N -0.47 0.00 -0.09 0.44 0.24 -1.26 -4.64 118.33 112.56 1zit n VAL 106 Ca 0.19 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.42 1zit n VAL 106 Cb 0.91 -1.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.22 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1zit h GLU 107 N 0.00 -0.20 0.00 7.34 4.81 -1.92 0.20 114.58 124.81 1zit h GLU 107 Ca -0.22 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1zit h GLU 107 Cb 0.73 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1zit h GLU 107 CO 0.32 -0.13 -0.34 0.00 -0.73 0.00 0.00 179.01 178.13 1zit h ARG 108 N -0.21 0.00 0.00 1.92 -0.00 -1.82 -2.42 114.38 111.85 1zit h ARG 108 Ca 0.17 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.64 1zit h ARG 108 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.44 1zit h ARG 108 CO -0.46 0.34 -0.04 0.35 0.00 0.00 0.00 179.97 180.16 1zit h PHE 109 N 0.00 0.00 -0.54 3.04 3.04 -0.93 -2.66 116.94 118.89 1zit h PHE 109 Ca -0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1zit h PHE 109 Cb 0.69 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.12 1zit h PHE 109 CO 0.00 0.04 0.08 1.25 -2.02 0.00 0.00 178.31 177.65 1zit h LEU 110 N 0.00 -0.07 0.14 0.59 6.46 -0.75 -1.24 115.31 120.43 1zit h LEU 110 Ca -0.00 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1zit h LEU 110 Cb 0.09 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1zit h LEU 110 CO 0.00 -0.02 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.67 1zit h LEU 111 N 0.20 -0.16 -1.42 2.25 4.07 -1.67 -2.75 115.31 115.83 1zit h LEU 111 Ca 0.28 -0.37 0.38 0.00 0.08 0.00 0.00 57.88 58.25 1zit h LEU 111 Cb 0.41 0.04 -0.11 0.00 1.08 0.00 0.00 40.66 42.08 1zit h LEU 111 CO -0.39 0.34 0.80 0.74 -1.08 0.00 0.00 178.44 178.85 1zit h THR 112 N -0.73 0.26 0.21 0.22 2.02 -1.47 0.88 112.91 114.30 1zit h THR 112 Ca -0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1zit h THR 112 Cb 0.52 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1zit h THR 112 CO 0.03 0.03 -0.10 0.40 0.37 0.00 0.00 175.52 176.25 1zit h ILE 113 N 0.18 0.00 0.00 3.11 1.08 -1.17 0.91 117.51 121.62 1zit h ILE 113 Ca 0.74 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 65.10 1zit h ILE 113 Cb 2.24 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1zit h ILE 113 CO -0.36 0.00 0.20 0.07 -0.69 0.00 0.00 178.15 177.37 1zit h LYS 114 N -0.39 0.00 0.07 2.37 5.09 -0.87 0.92 116.57 123.76 1zit h LYS 114 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.38 1zit h LYS 114 Cb 0.21 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.51 1zit h LYS 114 CO 0.05 0.00 -1.88 1.58 -2.09 0.00 0.00 179.45 177.11 1zit n HIS 115 N -2.88 1.13 0.09 0.07 -0.00 0.29 -3.81 115.22 110.10 1zit n HIS 115 Ca -0.02 0.30 -0.12 0.00 0.46 0.00 0.00 57.72 58.34 1zit n HIS 115 Cb 0.25 -1.17 -0.08 0.00 -0.12 0.00 0.00 29.99 28.87 1zit n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1zit h ALA 116 N 0.49 -0.27 -0.18 1.57 0.00 0.32 -3.10 119.26 118.09 1zit h ALA 116 Ca -0.37 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.39 1zit h ALA 116 Cb 2.03 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 1zit h ALA 116 CO 0.08 -0.41 0.24 0.74 0.00 0.00 0.00 179.25 179.90 1zit h PHE 117 N -0.75 0.00 0.00 0.00 0.04 -1.31 0.40 116.94 115.32 1zit h PHE 117 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1zit h PHE 117 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1zit h PHE 117 CO 0.06 0.00 0.00 0.93 -0.60 0.00 0.00 178.31 178.70 1zit h GLU 118 N 0.00 0.00 -0.53 1.51 4.39 -1.64 -0.74 114.58 117.58 1zit h GLU 118 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1zit h GLU 118 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1zit h GLU 118 CO -0.00 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.24 1zit n GLU 119 N -2.79 2.16 -1.12 2.33 1.02 0.13 -3.97 120.64 118.40 1zit n GLU 119 Ca -0.02 -1.28 -0.18 0.00 -0.02 0.00 0.00 57.16 55.66 1zit n GLU 119 Cb 0.09 -1.49 0.17 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.39 2.31 -0.03 -0.32 9.36 -0.28 -5.08 117.16 123.51 1zit n TYR 120 Ca 0.12 -1.91 0.00 0.00 3.32 0.00 0.00 57.90 59.43 1zit n TYR 120 Cb 0.44 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 38.35 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95