#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit n LYS 2 N 0.00 -4.20 -3.73 0.03 4.76 -1.26 -4.61 118.16 109.15 1zit n LYS 2 Ca 0.00 3.21 -0.14 0.00 -2.87 0.00 0.00 58.31 58.51 1zit n LYS 2 Cb 0.00 -4.97 -0.15 0.00 -1.84 0.00 0.00 35.03 28.07 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1zit s ARG 3 N -0.88 0.09 0.14 1.97 3.00 -1.26 -0.72 118.95 121.29 1zit s ARG 3 Ca -0.22 0.42 0.10 0.00 0.00 0.00 0.00 55.73 56.03 1zit s ARG 3 Cb 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 34.95 34.73 1zit s ARG 3 CO 0.76 -0.19 -0.24 0.08 0.00 0.00 0.00 175.30 175.71 1zit s VAL 4 N 1.40 2.13 -0.14 3.52 1.01 -0.70 -4.03 120.40 123.59 1zit s VAL 4 Ca -0.07 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.05 1zit s VAL 4 Cb -0.12 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1zit s VAL 4 CO -0.06 -0.03 0.11 -0.22 0.00 0.00 0.00 175.10 174.91 1zit s LEU 5 N -2.23 4.19 -0.46 3.92 2.96 0.61 -1.91 118.68 125.76 1zit s LEU 5 Ca 0.14 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1zit s LEU 5 Cb -0.09 -2.03 0.12 0.00 0.50 0.00 0.00 46.19 44.69 1zit s LEU 5 CO 0.07 0.33 0.21 -0.69 -1.32 0.00 0.00 176.35 174.94 1zit s VAL 6 N -0.53 2.84 -0.33 1.68 1.01 -1.26 0.10 120.40 123.92 1zit s VAL 6 Ca 0.12 -2.66 -0.21 0.00 0.00 0.00 0.00 61.98 59.22 1zit s VAL 6 Cb -0.12 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 1zit s VAL 6 CO 0.02 -0.72 0.68 -0.69 0.00 0.00 0.00 175.10 174.39 1zit s VAL 7 N 0.45 4.87 -0.18 2.92 1.01 0.23 -0.98 120.40 128.72 1zit s VAL 7 Ca 0.13 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1zit s VAL 7 Cb -0.22 -4.08 0.08 0.00 0.00 0.00 0.00 36.38 32.17 1zit s VAL 7 CO -0.04 -0.25 0.22 -0.62 0.00 0.00 0.00 175.10 174.42 1zit s ASP 8 N 1.70 1.12 0.00 3.32 2.15 -0.82 -2.47 116.67 121.68 1zit s ASP 8 Ca 0.27 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1zit s ASP 8 Cb -0.14 0.44 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1zit s ASP 8 CO 0.13 -0.30 0.53 -0.67 -0.17 0.00 0.00 175.17 174.69 1zit n ASP 9 N 5.33 0.00 -4.76 -0.34 -0.08 -1.26 -4.12 116.55 111.31 1zit n ASP 9 Ca -0.05 0.53 -0.24 0.00 -1.51 0.00 0.00 54.79 53.52 1zit n ASP 9 Cb 0.50 -0.03 0.09 0.00 2.34 0.00 0.00 41.12 44.02 1zit n ASP 9 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1zit s GLU 10 N -1.11 1.92 0.04 -0.67 -6.30 -1.26 -4.51 118.70 106.80 1zit s GLU 10 Ca 0.00 -0.78 0.00 0.00 -2.50 0.00 0.00 54.97 51.69 1zit s GLU 10 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 34.13 31.84 1zit s GLU 10 CO 0.00 -1.30 0.00 -1.91 0.02 0.00 0.00 175.26 172.07 1zit n GLU 11 N -2.81 -3.03 -1.54 4.30 2.13 -1.26 -4.69 120.64 113.74 1zit n GLU 11 Ca 0.12 2.40 -0.30 0.00 0.66 0.00 0.00 57.16 60.03 1zit n GLU 11 Cb 0.60 -2.81 -0.09 0.00 0.27 0.00 0.00 31.44 29.41 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1zit n SER 12 N 1.06 1.35 -1.01 4.31 2.88 -1.26 -4.52 113.62 116.42 1zit n SER 12 Ca 0.00 -0.61 0.13 0.00 -1.33 0.00 0.00 58.87 57.05 1zit n SER 12 Cb 0.00 -1.35 -0.06 0.00 -0.75 0.00 0.00 64.21 62.05 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1zit n ILE 13 N 7.81 -0.28 -2.96 2.46 2.08 -1.26 -4.65 119.36 122.56 1zit n ILE 13 Ca 0.49 0.48 -0.43 0.00 0.56 0.00 0.00 62.75 63.84 1zit n ILE 13 Cb 0.37 -0.82 -0.04 0.00 -0.75 0.00 0.00 39.64 38.40 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 -3.31 4.53 0.25 1.39 -4.23 -1.26 -5.01 115.64 108.00 1zit s THR 14 Ca 0.00 -0.45 -0.27 0.00 -1.18 0.00 0.00 61.69 59.79 1zit s THR 14 Cb 0.00 -4.56 -0.16 0.00 1.34 0.00 0.00 72.50 69.12 1zit s THR 14 CO 0.00 -1.24 0.59 -1.20 -0.54 0.00 0.00 174.62 172.23 1zit n SER 15 N 7.12 -0.81 0.00 3.99 7.64 -1.26 -1.39 113.62 128.91 1zit n SER 15 Ca -0.05 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1zit n SER 15 Cb 0.45 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1zit n SER 16 N 1.81 0.00 0.09 6.43 7.64 -1.26 -4.88 113.62 123.45 1zit n SER 16 Ca 0.15 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 1zit n SER 16 Cb 0.29 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 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 0.00 -0.24 -0.13 -3.43 6.46 -1.57 -2.92 115.31 113.49 1zit h LEU 17 Ca 0.00 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1zit h LEU 17 Cb 0.00 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1zit h LEU 17 CO 0.00 0.24 -0.15 -1.28 -0.62 0.00 0.00 178.44 176.63 1zit h SER 18 N -0.82 -0.51 -0.99 1.25 0.87 -1.90 0.30 113.55 111.75 1zit h SER 18 Ca -0.03 0.07 0.24 0.00 -1.23 0.00 0.00 61.79 60.84 1zit h SER 18 Cb 0.51 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.56 1zit h SER 18 CO 0.05 -0.10 0.57 0.00 -0.53 0.00 0.00 176.83 176.82 1zit h ALA 19 N -0.91 1.73 0.29 6.23 0.00 -1.97 -0.77 119.26 123.86 1zit h ALA 19 Ca 0.02 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1zit h ALA 19 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1zit h ALA 19 CO -0.17 -0.26 -0.14 0.82 0.00 0.00 0.00 179.25 179.50 1zit h ILE 20 N 0.57 0.00 -1.17 0.00 2.04 -0.95 -2.73 117.51 115.28 1zit h ILE 20 Ca 0.63 -0.09 0.34 0.00 1.00 0.00 0.00 64.86 66.74 1zit h ILE 20 Cb 1.18 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1zit h ILE 20 CO -0.48 0.00 0.87 -0.07 0.00 0.00 0.00 178.15 178.48 1zit h LEU 21 N -0.48 0.00 -1.10 1.44 3.38 -0.15 1.33 115.31 119.73 1zit h LEU 21 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1zit h LEU 21 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1zit h LEU 21 CO 0.07 0.00 -0.28 -0.33 0.09 0.00 0.00 178.44 177.98 1zit h GLU 22 N 0.00 0.00 0.21 1.13 5.08 -1.03 0.21 114.58 120.18 1zit h GLU 22 Ca 0.55 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.60 1zit h GLU 22 Cb 2.30 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.57 1zit h GLU 22 CO -0.01 0.28 -1.43 1.49 -1.00 0.00 0.00 179.01 178.34 1zit h GLU 23 N 0.00 0.44 -0.00 2.33 4.57 0.21 -3.33 114.58 118.80 1zit h GLU 23 Ca -0.00 -0.76 -0.19 0.00 -1.18 0.00 0.00 59.36 57.23 1zit h GLU 23 Cb 0.77 0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1zit h GLU 23 CO 0.04 1.36 -0.84 0.93 -1.18 0.00 0.00 179.01 179.31 1zit h GLU 24 N 0.01 0.15 -0.01 1.92 3.07 -1.34 -3.48 114.58 114.90 1zit h GLU 24 Ca -0.27 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1zit h GLU 24 Cb 2.03 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.99 1zit h GLU 24 CO 0.21 0.90 0.00 0.41 -1.40 0.00 0.00 179.01 179.14 1zit n GLY 25 N 0.82 1.79 1.87 -3.84 0.00 0.52 -5.10 105.19 101.25 1zit n GLY 25 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.07 -3.44 -3.50 1.61 4.01 0.03 -4.86 117.16 109.94 1zit n TYR 26 Ca 0.00 -0.75 -0.29 0.00 -0.16 0.00 0.00 57.90 56.69 1zit n TYR 26 Cb 0.03 -0.40 -0.13 0.00 -0.31 0.00 0.00 39.34 38.54 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 -1.71 0.77 0.37 -0.72 2.46 0.11 -4.78 115.29 111.79 1zit s HIS 27 Ca 0.33 -1.57 -0.25 0.00 0.47 0.00 0.00 55.06 54.04 1zit s HIS 27 Cb -0.02 -1.00 -0.09 0.00 -0.13 0.00 0.00 32.58 31.35 1zit s HIS 27 CO 0.23 -0.83 1.01 -1.25 -2.47 0.00 0.00 174.74 171.43 1zit s PRO 28 N 1.18 4.31 0.00 2.88 0.04 -1.25 -1.72 135.00 140.44 1zit s PRO 28 Ca 0.17 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1zit s PRO 28 Cb -0.22 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1zit s PRO 28 CO -0.05 0.01 0.27 -3.47 0.04 0.00 0.00 177.00 173.80 1zit n ASP 29 N 0.14 0.54 -0.27 6.66 2.03 -0.80 -4.93 116.55 119.91 1zit n ASP 29 Ca 0.04 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1zit n ASP 29 Cb 0.50 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 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 -0.46 0.00 -4.29 5.18 -2.24 -1.26 -4.82 114.28 106.40 1zit n THR 30 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1zit n THR 30 Cb 0.00 -0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.04 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit s ALA 31 N -0.07 0.98 1.09 6.98 0.00 -0.15 -4.84 121.76 125.75 1zit s ALA 31 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1zit s ALA 31 Cb 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.10 1zit s ALA 31 CO 0.00 0.17 0.26 1.17 0.00 0.00 0.00 175.76 177.36 1zit n LYS 32 N 1.96 -2.60 -0.80 0.00 4.81 -1.26 -1.93 118.16 118.34 1zit n LYS 32 Ca -0.18 -0.44 -0.34 0.00 -0.87 0.00 0.00 58.31 56.48 1zit n LYS 32 Cb 0.55 -0.59 0.12 0.00 0.02 0.00 0.00 35.03 35.13 1zit n LYS 32 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1zit n THR 33 N -3.81 0.00 -0.20 3.15 -1.04 -1.26 -3.11 114.28 108.02 1zit n THR 33 Ca 0.04 -0.23 0.19 0.00 -2.04 0.00 0.00 64.05 62.01 1zit n THR 33 Cb 0.18 -0.42 0.35 0.00 -1.82 0.00 0.00 70.33 68.62 1zit n THR 33 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1zit n LEU 34 N 0.01 0.19 0.29 -4.42 4.77 -1.26 0.37 117.00 116.94 1zit n LEU 34 Ca 0.01 0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 56.77 1zit n LEU 34 Cb 0.63 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1zit n LEU 34 CO 0.50 -1.03 0.52 0.03 -1.33 0.00 0.00 177.39 176.08 1zit h ARG 35 N 0.00 -0.80 0.00 3.23 3.08 -1.99 0.85 114.38 118.75 1zit h ARG 35 Ca 0.49 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.56 1zit h ARG 35 Cb 1.35 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1zit h ARG 35 CO -0.41 -0.53 -0.17 1.49 -1.07 0.00 0.00 179.97 179.27 1zit h GLU 36 N -0.83 0.00 0.32 0.04 4.57 -0.28 -2.80 114.58 115.60 1zit h GLU 36 Ca -0.07 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1zit h GLU 36 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1zit h GLU 36 CO 0.05 0.17 -0.15 0.00 -1.18 0.00 0.00 179.01 177.90 1zit h ALA 37 N 1.83 -0.43 -0.96 2.92 0.00 -0.43 -2.42 119.26 119.76 1zit h ALA 37 Ca -0.00 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.01 1zit h ALA 37 Cb 0.37 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 1zit h ALA 37 CO 0.02 -0.46 0.48 0.93 0.00 0.00 0.00 179.25 180.23 1zit h GLU 38 N -1.01 0.36 0.32 0.00 5.08 0.81 0.73 114.58 120.88 1zit h GLU 38 Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1zit h GLU 38 Cb 0.48 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1zit h GLU 38 CO 0.07 0.24 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.95 1zit h LYS 39 N 0.37 -0.41 -0.52 2.33 3.11 -1.51 1.59 116.57 121.53 1zit h LYS 39 Ca 0.65 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 58.53 1zit h LYS 39 Cb 1.36 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 32.65 1zit h LYS 39 CO -0.57 -0.24 0.35 0.87 -2.81 0.00 0.00 179.45 177.04 1zit h LYS 40 N -0.48 0.66 -0.01 1.90 1.57 0.08 -1.32 116.57 118.97 1zit h LYS 40 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1zit h LYS 40 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1zit h LYS 40 CO 0.07 0.43 -0.32 -0.89 -0.57 0.00 0.00 179.45 178.17 1zit n ILE 41 N -4.46 0.00 0.33 1.86 5.41 0.22 -3.21 119.36 119.50 1zit n ILE 41 Ca 0.05 -0.15 0.19 0.00 1.00 0.00 0.00 62.75 63.84 1zit n ILE 41 Cb 0.08 0.57 0.99 0.00 -0.71 0.00 0.00 39.64 40.57 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 1.38 0.00 0.00 0.38 3.11 0.35 -3.34 116.57 118.46 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1zit h LYS 42 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1zit h LYS 42 CO 0.00 0.00 -0.03 0.39 -2.81 0.00 0.00 179.45 177.00 1zit n GLU 43 N -2.92 0.00 -1.67 1.90 1.02 -1.26 -5.07 120.64 112.64 1zit n GLU 43 Ca -0.02 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.68 1zit n GLU 43 Cb 0.22 -0.20 -0.03 0.00 -0.02 0.00 0.00 31.44 31.40 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 -2.14 3.97 -4.17 -4.62 -0.00 -1.20 -4.89 117.00 103.95 1zit n LEU 44 Ca 0.00 0.93 -0.43 0.00 -0.00 0.00 0.00 56.01 56.51 1zit n LEU 44 Cb 0.01 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 41.94 1zit n LEU 44 CO 0.00 0.13 1.83 0.33 -0.00 0.00 0.00 177.39 179.69 1zit n PHE 45 N 6.95 4.02 -2.03 1.96 -0.00 -1.26 -4.59 117.46 122.51 1zit n PHE 45 Ca 0.20 -3.04 -0.42 0.00 -0.00 0.00 0.00 57.45 54.20 1zit n PHE 45 Cb 0.37 -2.20 -0.03 0.00 -0.00 0.00 0.00 39.48 37.62 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1zit s PHE 46 N 1.68 3.10 0.21 -5.13 0.08 -1.26 -4.92 117.98 111.74 1zit s PHE 46 Ca 0.44 0.90 0.08 0.00 0.12 0.00 0.00 56.93 58.47 1zit s PHE 46 Cb 0.05 -3.81 0.13 0.00 -0.57 0.00 0.00 43.02 38.82 1zit s PHE 46 CO 0.00 -2.79 1.48 -1.00 -0.10 0.00 0.00 175.22 172.81 1zit h PRO 47 N 5.99 0.03 -3.56 0.24 0.13 -1.91 -3.43 132.00 129.50 1zit h PRO 47 Ca -0.44 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 1zit h PRO 47 Cb 1.21 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.03 1zit h PRO 47 CO 0.84 0.78 -0.71 0.08 -0.23 0.00 0.00 178.00 178.76 1zit s VAL 48 N -3.28 -0.04 0.04 1.56 1.01 -1.26 0.06 120.40 118.49 1zit s VAL 48 Ca -0.01 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1zit s VAL 48 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.39 1zit s VAL 48 CO 0.79 0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 175.16 1zit s ILE 49 N 0.77 2.90 -0.26 2.22 -1.09 0.19 -0.29 121.20 125.64 1zit s ILE 49 Ca -0.06 -1.15 -0.01 0.00 -2.23 0.00 0.00 60.65 57.20 1zit s ILE 49 Cb -0.09 -2.23 0.08 0.00 -1.58 0.00 0.00 42.46 38.63 1zit s ILE 49 CO -0.02 0.33 0.03 -0.69 -1.23 0.00 0.00 174.94 173.37 1zit s VAL 50 N -0.94 1.03 0.02 2.92 1.01 0.29 -1.05 120.40 123.68 1zit s VAL 50 Ca 0.15 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1zit s VAL 50 Cb -0.11 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1zit s VAL 50 CO 0.06 -0.38 0.19 -0.22 0.00 0.00 0.00 175.10 174.75 1zit s LEU 51 N 1.59 4.33 -0.01 3.92 2.96 -1.26 0.75 118.68 130.96 1zit s LEU 51 Ca 0.02 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1zit s LEU 51 Cb -0.18 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 1zit s LEU 51 CO -0.14 0.22 0.00 -0.67 -1.32 0.00 0.00 176.35 174.44 1zit n ASP 52 N 0.66 4.63 -3.12 3.68 -0.08 -1.03 -0.92 116.55 120.36 1zit n ASP 52 Ca -0.08 -0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.11 1zit n ASP 52 Cb 0.52 0.43 0.04 0.00 2.34 0.00 0.00 41.12 44.45 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1zit n VAL 53 N -2.12 -9.33 0.00 5.18 0.31 -1.26 -3.77 118.33 107.34 1zit n VAL 53 Ca -0.02 -0.89 0.00 0.00 -0.01 0.00 0.00 64.34 63.42 1zit n VAL 53 Cb 0.53 -6.59 0.00 0.00 -0.91 0.00 0.00 33.84 26.87 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 -2.62 0.00 -2.69 3.52 -0.00 -1.26 -4.77 117.44 109.62 1zit n TRP 54 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.39 1zit n TRP 54 Cb 0.57 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.97 1zit n TRP 54 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1zit n MET 55 N -0.44 1.22 0.00 5.87 0.00 -1.26 -5.09 117.12 117.42 1zit n MET 55 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 57.70 55.34 1zit n MET 55 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 33.22 32.71 1zit n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1zit n PRO 56 N -0.48 2.75 -0.53 2.12 -0.02 -1.26 -5.03 135.00 132.56 1zit n PRO 56 Ca 0.01 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 1zit n PRO 56 Cb 0.84 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.36 1zit n PRO 56 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1zit n ASP 57 N 0.00 0.66 0.00 2.55 5.68 -1.26 -4.79 116.55 119.39 1zit n ASP 57 Ca 0.00 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 1zit n ASP 57 Cb 0.00 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1zit n GLY 58 N -0.28 0.19 2.23 6.12 0.00 -1.26 -5.00 105.19 107.19 1zit n GLY 58 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.19 -3.82 -1.12 1.61 8.00 -1.26 -1.65 116.55 118.12 1zit n ASP 59 Ca 0.00 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.66 1zit n ASP 59 Cb 0.08 -3.39 -0.04 0.00 -0.02 0.00 0.00 41.12 37.75 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 60 N -0.54 0.83 0.12 0.44 0.00 -1.26 -4.76 105.19 100.01 1zit n GLY 60 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.99 0.00 1.61 2.07 -1.63 -3.25 116.25 116.03 1zit h VAL 61 Ca -0.18 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1zit h VAL 61 Cb 0.63 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1zit h VAL 61 CO 0.26 0.63 0.00 -0.55 0.02 0.00 0.00 177.57 177.93 1zit h ASN 62 N -0.46 0.00 0.79 0.57 7.08 -1.86 -2.06 115.58 119.63 1zit h ASN 62 Ca -0.32 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.67 1zit h ASN 62 Cb 1.64 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.85 1zit h ASN 62 CO -0.01 0.00 -1.31 0.15 -2.08 0.00 0.00 177.43 174.18 1zit h PHE 63 N 0.00 0.00 -0.89 4.14 3.57 -1.88 -3.36 116.94 118.53 1zit h PHE 63 Ca 0.00 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1zit h PHE 63 Cb 0.23 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.84 1zit h PHE 63 CO 0.00 0.90 0.32 0.82 -2.23 0.00 0.00 178.31 178.13 1zit h ILE 64 N 0.00 0.39 -0.21 1.41 1.08 -1.40 0.60 117.51 119.37 1zit h ILE 64 Ca -0.15 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 1zit h ILE 64 Cb 1.82 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1zit h ILE 64 CO 0.09 0.05 -0.18 -0.78 -0.69 0.00 0.00 178.15 176.65 1zit h ASP 65 N 0.29 0.52 -0.95 1.72 1.82 -1.72 -3.09 116.42 115.01 1zit h ASP 65 Ca 0.56 -0.46 0.21 0.00 -0.39 0.00 0.00 57.03 56.96 1zit h ASP 65 Cb 1.12 -0.15 -0.12 0.00 0.68 0.00 0.00 39.33 40.87 1zit h ASP 65 CO -0.59 0.87 0.52 0.15 -1.61 0.00 0.00 179.24 178.58 1zit h PHE 66 N 0.17 0.90 -0.00 0.28 3.04 -1.05 1.18 116.94 121.45 1zit h PHE 66 Ca 0.04 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1zit h PHE 66 Cb 0.71 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.98 1zit h PHE 66 CO 0.08 0.08 0.00 0.82 -2.02 0.00 0.00 178.31 177.27 1zit h ILE 67 N 0.58 1.10 0.00 1.41 5.03 -1.29 -1.93 117.51 122.40 1zit h ILE 67 Ca 0.59 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 65.02 1zit h ILE 67 Cb 1.04 1.31 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 1zit h ILE 67 CO -0.46 0.08 0.00 0.29 -0.68 0.00 0.00 178.15 177.38 1zit n LYS 68 N -5.03 0.10 -0.04 2.37 4.76 -0.16 0.56 118.16 120.74 1zit n LYS 68 Ca -0.07 0.19 -0.14 0.00 -2.87 0.00 0.00 58.31 55.42 1zit n LYS 68 Cb 0.09 -1.65 -0.11 0.00 -1.84 0.00 0.00 35.03 31.52 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1zit h GLU 69 N 0.00 0.05 -0.18 1.97 4.81 0.19 -3.27 114.58 118.14 1zit h GLU 69 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1zit h GLU 69 Cb 0.48 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1zit h GLU 69 CO 0.00 0.78 0.00 0.09 -0.73 0.00 0.00 179.01 179.15 1zit n ASN 70 N -4.68 3.12 -2.73 1.04 3.02 -0.78 -4.75 115.26 109.50 1zit n ASN 70 Ca -0.09 -2.74 -0.08 0.00 -0.03 0.00 0.00 54.58 51.64 1zit n ASN 70 Cb 0.39 -0.40 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.55 -2.57 0.15 6.41 7.64 0.19 -4.85 113.62 120.04 1zit n SER 71 Ca 0.16 -3.22 0.13 0.00 1.01 0.00 0.00 58.87 56.94 1zit n SER 71 Cb 0.67 1.74 0.46 0.00 -1.01 0.00 0.00 64.21 66.08 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 3.62 0.00 -0.51 1.43 0.11 -1.67 -3.06 132.00 131.92 1zit h PRO 72 Ca -0.15 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.65 1zit h PRO 72 Cb 1.07 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.99 1zit h PRO 72 CO 0.22 0.00 -0.11 -3.47 -0.21 0.00 0.00 178.00 174.44 1zit n ASP 73 N -2.42 3.48 0.00 -2.05 2.03 -1.26 -5.00 116.55 111.33 1zit n ASP 73 Ca 0.03 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.55 1zit n ASP 73 Cb 0.33 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.03 1.17 -3.90 1.67 2.88 -1.15 -4.68 113.62 108.57 1zit n SER 74 Ca 0.39 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 1zit n SER 74 Cb 1.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.31 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 1.42 0.19 -0.40 2.46 1.01 0.11 -4.92 120.40 120.27 1zit s VAL 75 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1zit s VAL 75 Cb 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 36.38 36.31 1zit s VAL 75 CO 0.00 0.06 0.18 -0.69 0.00 0.00 0.00 175.10 174.65 1zit s VAL 76 N 0.05 3.11 -0.66 2.92 1.01 -1.26 0.52 120.40 126.09 1zit s VAL 76 Ca -0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 61.98 59.84 1zit s VAL 76 Cb -0.02 -3.15 0.42 0.00 0.00 0.00 0.00 36.38 33.63 1zit s VAL 76 CO -0.00 -0.68 1.89 -0.38 0.00 0.00 0.00 175.10 175.93 1zit n ILE 77 N 4.50 3.43 -1.52 2.22 2.08 -0.22 -0.29 119.36 129.57 1zit n ILE 77 Ca -0.01 -3.55 -0.14 0.00 0.56 0.00 0.00 62.75 59.61 1zit n ILE 77 Cb 0.41 -1.18 -0.11 0.00 -0.75 0.00 0.00 39.64 38.01 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 -0.77 0.00 0.00 1.39 0.31 -1.26 -4.09 118.33 113.91 1zit n VAL 78 Ca 0.57 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1zit n VAL 78 Cb 0.58 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1zit n VAL 78 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1zit n ILE 79 N 7.94 0.00 0.00 2.52 5.41 -0.09 -4.18 119.36 130.95 1zit n ILE 79 Ca 0.47 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.22 1zit n ILE 79 Cb 0.38 -0.64 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1zit n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1zit n THR 80 N 0.00 0.00 0.00 1.39 -2.24 -1.25 -4.53 114.28 107.66 1zit n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zit n THR 80 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zit n GLY 81 N 0.00 0.21 2.41 3.38 0.00 -1.26 -4.72 105.19 105.21 1zit n GLY 81 Ca 0.00 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.46 1zit n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1zit n HIS 82 N 0.00 -0.87 0.00 1.61 8.25 -1.26 -3.56 115.22 119.39 1zit n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1zit n HIS 82 Cb 0.00 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.26 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 -0.97 1.32 3.70 -1.41 0.00 -1.26 -4.91 105.19 101.67 1zit n GLY 83 Ca -0.24 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1zit n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1zit n SER 84 N 3.23 3.17 -0.14 1.61 2.88 -1.23 -4.90 113.62 118.24 1zit n SER 84 Ca 0.00 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.76 1zit n SER 84 Cb 0.00 -1.50 -0.04 0.00 -0.75 0.00 0.00 64.21 61.92 1zit n SER 84 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zit n VAL 85 N 1.81 0.00 0.25 2.46 0.24 -1.26 -4.46 118.33 117.37 1zit n VAL 85 Ca 0.10 -0.25 0.10 0.00 -2.04 0.00 0.00 64.34 62.24 1zit n VAL 85 Cb 0.34 1.07 0.66 0.00 -1.47 0.00 0.00 33.84 34.44 1zit n VAL 85 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1zit h ASP 86 N 0.68 0.00 0.55 -1.34 1.82 -1.95 -1.95 116.42 114.23 1zit h ASP 86 Ca 0.00 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1zit h ASP 86 Cb 0.39 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1zit h ASP 86 CO 0.00 0.13 -1.02 0.00 -1.61 0.00 0.00 179.24 176.74 1zit h THR 87 N 0.00 1.48 0.78 2.25 1.03 -1.94 -2.98 112.91 113.53 1zit h THR 87 Ca -0.00 -2.76 -0.04 0.00 -0.01 0.00 0.00 66.41 63.60 1zit h THR 87 Cb 0.29 2.63 0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1zit h THR 87 CO 0.02 0.81 -0.38 0.00 -0.01 0.00 0.00 175.52 175.95 1zit h ALA 88 N 0.77 -1.06 -0.09 0.00 0.00 -1.62 -1.87 119.26 115.40 1zit h ALA 88 Ca -0.08 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1zit h ALA 88 Cb 1.69 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1zit h ALA 88 CO 0.17 -1.10 0.18 -0.39 0.00 0.00 0.00 179.25 178.10 1zit h VAL 89 N -1.06 0.24 -0.00 0.00 -1.51 -1.57 0.62 116.25 112.97 1zit h VAL 89 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1zit h VAL 89 Cb 0.82 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1zit h VAL 89 CO 0.17 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.68 1zit n LYS 90 N -3.40 1.03 0.00 5.19 4.81 -0.71 -3.28 118.16 121.80 1zit n LYS 90 Ca -0.01 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1zit n LYS 90 Cb 0.27 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N -0.81 2.05 0.22 3.14 0.00 0.11 -4.82 120.51 120.40 1zit n ALA 91 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 1zit n ALA 91 Cb 0.09 0.03 0.46 0.00 0.00 0.00 0.00 19.45 20.03 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 0.64 -0.15 0.00 3.07 -0.14 -2.95 117.51 117.98 1zit h ILE 92 Ca 0.00 -1.15 -0.16 0.00 1.55 0.00 0.00 64.86 65.10 1zit h ILE 92 Cb 0.06 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.36 1zit h ILE 92 CO 0.00 0.24 -0.59 0.11 -1.05 0.00 0.00 178.15 176.86 1zit h LYS 93 N 0.00 0.49 0.92 0.16 1.79 -1.74 -3.15 116.57 115.04 1zit h LYS 93 Ca -0.00 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.10 1zit h LYS 93 Cb 0.73 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1zit h LYS 93 CO 0.03 0.94 -0.45 0.87 -1.08 0.00 0.00 179.45 179.76 1zit h LYS 94 N 0.36 -1.20 0.00 3.15 1.57 -1.78 -3.45 116.57 115.23 1zit h LYS 94 Ca -0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1zit h LYS 94 Cb 1.14 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1zit h LYS 94 CO 0.11 -0.80 0.00 0.41 -0.57 0.00 0.00 179.45 178.60 1zit n GLY 95 N -1.63 0.00 3.49 3.86 0.00 -1.22 -5.10 105.19 104.58 1zit n GLY 95 Ca -0.16 0.00 -0.22 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 n ALA 96 N 0.00 -0.10 -1.18 4.61 0.00 -1.19 -4.79 120.51 117.86 1zit n ALA 96 Ca 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 53.44 51.55 1zit n ALA 96 Cb 0.00 0.23 0.23 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.88 2.70 -0.19 0.00 9.36 0.60 -4.87 117.16 121.89 1zit n TYR 97 Ca 0.15 -1.60 0.00 0.00 3.32 0.00 0.00 57.90 59.77 1zit n TYR 97 Cb 0.53 -0.82 -0.00 0.00 -0.63 0.00 0.00 39.34 38.42 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 -0.80 -0.48 -2.46 2.98 0.28 -1.26 -4.90 120.64 113.99 1zit n GLU 98 Ca 0.51 0.38 -0.40 0.00 -0.16 0.00 0.00 57.16 57.49 1zit n GLU 98 Cb 1.53 -0.48 -0.04 0.00 1.43 0.00 0.00 31.44 33.87 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 -3.98 3.56 -0.93 -1.84 0.40 -1.26 -4.51 117.98 109.43 1zit s PHE 99 Ca 0.00 1.67 -0.22 0.00 -0.60 0.00 0.00 56.93 57.78 1zit s PHE 99 Cb 0.00 -3.30 0.07 0.00 0.51 0.00 0.00 43.02 40.30 1zit s PHE 99 CO 0.00 -0.62 1.29 -1.17 0.70 0.00 0.00 175.22 175.41 1zit s LEU 100 N -1.27 4.01 0.73 -0.37 1.98 -1.26 -5.00 118.68 117.51 1zit s LEU 100 Ca 0.46 -1.47 -0.15 0.00 -2.89 0.00 0.00 54.13 50.08 1zit s LEU 100 Cb -0.32 -2.50 0.04 0.00 0.66 0.00 0.00 46.19 44.07 1zit s LEU 100 CO 0.40 -1.41 1.21 -1.61 -1.89 0.00 0.00 176.35 173.05 1zit s GLU 101 N 4.29 2.14 -0.65 1.98 0.41 -1.26 -4.16 118.70 121.45 1zit s GLU 101 Ca 0.38 1.75 -0.04 0.00 -0.41 0.00 0.00 54.97 56.66 1zit s GLU 101 Cb -0.04 -1.83 0.01 0.00 -1.78 0.00 0.00 34.13 30.48 1zit s GLU 101 CO -0.05 -1.83 0.66 1.17 -0.49 0.00 0.00 175.26 174.72 1zit n LYS 102 N -2.72 -1.56 -1.17 1.61 3.00 -1.26 -4.85 118.16 111.21 1zit n LYS 102 Ca 0.13 1.64 -0.30 0.00 -0.00 0.00 0.00 58.31 59.79 1zit n LYS 102 Cb 0.50 -5.66 -0.07 0.00 0.00 0.00 0.00 35.03 29.80 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zit n PRO 103 N -1.38 3.07 -3.45 1.64 -0.04 -1.26 -4.70 135.00 128.89 1zit n PRO 103 Ca 0.03 -1.78 -0.43 0.00 -0.04 0.00 0.00 63.50 61.28 1zit n PRO 103 Cb 0.49 -2.53 -0.08 0.00 -0.04 0.00 0.00 33.50 31.33 1zit n PRO 103 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1zit s PHE 104 N 1.92 3.26 -1.70 0.54 0.40 -1.26 -4.43 117.98 116.71 1zit s PHE 104 Ca 0.66 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1zit s PHE 104 Cb 0.21 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.70 1zit s PHE 104 CO -0.04 -0.78 0.00 0.45 0.70 0.00 0.00 175.22 175.55 1zit n SER 105 N 5.13 -4.82 -3.60 1.36 2.88 -1.26 -2.44 113.62 110.87 1zit n SER 105 Ca -0.12 0.28 -0.23 0.00 -1.33 0.00 0.00 58.87 57.47 1zit n SER 105 Cb 0.44 -4.20 -0.04 0.00 -0.75 0.00 0.00 64.21 59.65 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zit n VAL 106 N -2.84 0.00 -0.00 2.46 0.24 -1.26 -4.80 118.33 112.13 1zit n VAL 106 Ca -0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1zit n VAL 106 Cb 0.61 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.47 -0.05 0.00 7.34 4.81 -1.80 -2.41 114.58 122.00 1zit h GLU 107 Ca -0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 1zit h GLU 107 Cb 1.21 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1zit h GLU 107 CO 0.49 0.47 -0.09 -0.09 -0.73 0.00 0.00 179.01 179.06 1zit h ARG 108 N -0.61 0.00 -0.81 1.92 9.65 -1.84 -1.15 114.38 121.54 1zit h ARG 108 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1zit h ARG 108 Cb 0.55 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1zit h ARG 108 CO 0.01 0.09 0.41 0.35 2.80 0.00 0.00 179.97 183.63 1zit h PHE 109 N 0.00 1.15 -0.35 2.20 3.57 -1.85 -2.54 116.94 119.11 1zit h PHE 109 Ca -0.00 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1zit h PHE 109 Cb 0.17 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1zit h PHE 109 CO 0.00 0.83 0.01 -0.07 -2.23 0.00 0.00 178.31 176.85 1zit h LEU 110 N 1.14 -0.11 0.02 0.59 3.38 -0.69 0.28 115.31 119.92 1zit h LEU 110 Ca 0.28 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1zit h LEU 110 Cb 0.09 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1zit h LEU 110 CO -0.04 -0.02 -0.03 -0.07 0.09 0.00 0.00 178.44 178.37 1zit h LEU 111 N 0.12 -0.07 -1.14 1.67 4.07 -1.45 -2.35 115.31 116.15 1zit h LEU 111 Ca 0.17 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 1zit h LEU 111 Cb 0.23 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1zit h LEU 111 CO -0.27 -0.04 0.37 0.74 -1.08 0.00 0.00 178.44 178.15 1zit h THR 112 N -0.06 1.21 0.04 0.22 2.02 -1.09 -2.92 112.91 112.34 1zit h THR 112 Ca 0.00 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1zit h THR 112 Cb 0.06 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1zit h THR 112 CO -0.01 0.24 -0.20 0.40 0.37 0.00 0.00 175.52 176.32 1zit h ILE 113 N 0.97 0.54 -0.02 3.11 1.08 -0.02 0.26 117.51 123.43 1zit h ILE 113 Ca 0.24 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.74 1zit h ILE 113 Cb 0.04 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 1zit h ILE 113 CO -0.04 0.00 -0.54 0.50 -0.69 0.00 0.00 178.15 177.38 1zit h LYS 114 N -0.34 -0.64 -0.10 2.37 3.11 -1.24 0.22 116.57 119.95 1zit h LYS 114 Ca 0.05 0.04 0.03 0.00 -2.81 0.00 0.00 60.65 57.96 1zit h LYS 114 Cb 0.39 0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1zit h LYS 114 CO -0.16 -0.43 0.10 1.25 -2.81 0.00 0.00 179.45 177.41 1zit h HIS 115 N -0.67 0.00 -0.52 1.91 2.76 -1.43 -1.14 115.15 116.06 1zit h HIS 115 Ca 0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1zit h HIS 115 Cb 0.72 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1zit h HIS 115 CO -0.53 0.00 -0.05 0.00 -1.30 0.00 0.00 177.93 176.06 1zit h ALA 116 N 1.89 0.94 0.00 5.26 0.00 0.28 -2.49 119.26 125.14 1zit h ALA 116 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1zit h ALA 116 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1zit h ALA 116 CO -0.00 0.63 -0.00 0.74 0.00 0.00 0.00 179.25 180.62 1zit h PHE 117 N 0.83 0.00 -0.05 0.00 0.04 -0.10 -2.88 116.94 114.77 1zit h PHE 117 Ca 0.15 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.93 1zit h PHE 117 Cb 0.56 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1zit h PHE 117 CO 0.03 0.00 0.16 0.93 -0.60 0.00 0.00 178.31 178.84 1zit h GLU 118 N 0.00 0.00 -0.96 1.51 4.39 -1.40 0.25 114.58 118.37 1zit h GLU 118 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 1zit h GLU 118 Cb 0.44 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.89 1zit h GLU 118 CO 0.00 0.00 0.43 0.39 -1.16 0.00 0.00 179.01 178.67 1zit n GLU 119 N -3.26 2.17 -0.66 2.33 1.02 -1.09 -4.18 120.64 116.98 1zit n GLU 119 Ca -0.01 -2.24 0.01 0.00 -0.02 0.00 0.00 57.16 54.89 1zit n GLU 119 Cb 0.24 -1.90 0.20 0.00 -0.02 0.00 0.00 31.44 29.97 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 -0.58 0.68 1.38 -0.32 9.36 0.08 -4.71 117.16 123.05 1zit n TYR 120 Ca 0.41 -1.46 0.14 0.00 3.32 0.00 0.00 57.90 60.31 1zit n TYR 120 Cb 1.32 -0.38 0.42 0.00 -0.63 0.00 0.00 39.34 40.08 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53