#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 -2.19 -1.25 0.03 4.76 -1.26 -5.05 118.16 113.19 1zit n LYS 2 Ca 0.00 1.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.88 1zit n LYS 2 Cb 0.00 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 30.52 1zit n LYS 2 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1zit n ARG 3 N -3.50 -1.67 -4.43 1.97 3.00 -1.26 -4.65 116.66 106.11 1zit n ARG 3 Ca 0.01 1.54 -0.25 0.00 -0.01 0.00 0.00 57.85 59.15 1zit n ARG 3 Cb 0.50 -1.62 -0.10 0.00 0.00 0.00 0.00 32.46 31.23 1zit n ARG 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1zit s VAL 4 N -0.18 2.59 -0.15 1.55 1.01 -1.16 -4.11 120.40 119.96 1zit s VAL 4 Ca 0.00 -2.25 -0.02 0.00 0.00 0.00 0.00 61.98 59.71 1zit s VAL 4 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1zit s VAL 4 CO 0.00 -0.33 -0.09 -0.22 0.00 0.00 0.00 175.10 174.46 1zit s LEU 5 N -3.34 2.86 -0.57 3.92 2.96 0.13 -1.65 118.68 122.99 1zit s LEU 5 Ca 0.28 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1zit s LEU 5 Cb -0.06 -1.67 0.15 0.00 0.50 0.00 0.00 46.19 45.11 1zit s LEU 5 CO 0.15 0.13 0.36 -0.69 -1.32 0.00 0.00 176.35 174.98 1zit s VAL 6 N 0.57 3.39 -0.30 1.68 1.01 -1.26 0.15 120.40 125.65 1zit s VAL 6 Ca -0.06 -2.89 -0.25 0.00 0.00 0.00 0.00 61.98 58.78 1zit s VAL 6 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1zit s VAL 6 CO 0.03 -0.83 0.86 -0.69 0.00 0.00 0.00 175.10 174.47 1zit s VAL 7 N 0.08 4.73 -0.09 2.92 1.01 0.30 -0.65 120.40 128.71 1zit s VAL 7 Ca 0.16 1.34 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 1zit s VAL 7 Cb -0.22 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.02 1zit s VAL 7 CO -0.03 -0.29 0.57 -0.62 0.00 0.00 0.00 175.10 174.73 1zit s ASP 8 N 1.60 -0.54 0.00 3.32 2.15 -1.11 0.63 116.67 122.73 1zit s ASP 8 Ca 0.35 0.71 0.00 0.00 0.43 0.00 0.00 52.55 54.05 1zit s ASP 8 Cb -0.14 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1zit s ASP 8 CO 0.13 -0.45 0.30 -0.67 -0.17 0.00 0.00 175.17 174.30 1zit n ASP 9 N 1.54 0.00 -4.84 -0.34 2.03 -1.14 -3.70 116.55 110.10 1zit n ASP 9 Ca -0.18 0.49 -0.24 0.00 0.52 0.00 0.00 54.79 55.37 1zit n ASP 9 Cb 0.56 -0.30 0.07 0.00 -0.72 0.00 0.00 41.12 40.74 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 -1.19 2.10 -1.46 -0.67 -6.30 -1.26 -4.89 118.70 105.03 1zit s GLU 10 Ca 0.00 -0.61 -0.08 0.00 -2.50 0.00 0.00 54.97 51.78 1zit s GLU 10 Cb 0.00 -2.28 0.03 0.00 0.00 0.00 0.00 34.13 31.88 1zit s GLU 10 CO 0.00 -1.19 2.56 -1.91 0.02 0.00 0.00 175.26 174.74 1zit n GLU 11 N -2.77 3.98 -0.03 4.30 2.13 -1.26 -4.58 120.64 122.41 1zit n GLU 11 Ca 0.10 -2.88 -0.02 0.00 0.66 0.00 0.00 57.16 55.02 1zit n GLU 11 Cb 0.60 -2.79 -0.01 0.00 0.27 0.00 0.00 31.44 29.52 1zit n GLU 11 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1zit h SER 12 N 5.01 0.00 0.13 4.31 0.02 -1.97 -3.39 113.55 117.65 1zit h SER 12 Ca 0.73 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.42 1zit h SER 12 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1zit h SER 12 CO 1.66 0.32 -1.27 0.40 -1.14 0.00 0.00 176.83 176.79 1zit h ILE 13 N -0.43 1.16 -1.17 3.27 1.08 -2.00 -3.35 117.51 116.07 1zit h ILE 13 Ca 0.00 -2.45 0.34 0.00 -0.39 0.00 0.00 64.86 62.36 1zit h ILE 13 Cb 0.20 2.85 -0.10 0.00 -3.07 0.00 0.00 36.82 36.70 1zit h ILE 13 CO 0.00 0.71 0.77 0.71 -0.69 0.00 0.00 178.15 179.65 1zit h THR 14 N -0.30 0.37 -0.18 -0.27 1.35 -1.85 1.26 112.91 113.29 1zit h THR 14 Ca -0.26 -0.08 -0.07 0.00 -0.55 0.00 0.00 66.41 65.44 1zit h THR 14 Cb 1.75 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1zit h THR 14 CO 0.09 0.04 -0.21 0.77 -0.25 0.00 0.00 175.52 175.97 1zit h SER 15 N 0.23 0.32 0.00 5.36 4.64 -1.75 -2.79 113.55 119.56 1zit h SER 15 Ca 0.67 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.89 1zit h SER 15 Cb 1.99 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1zit h SER 15 CO -0.29 0.54 -0.95 -0.24 -0.87 0.00 0.00 176.83 175.01 1zit n SER 16 N -4.18 1.85 -0.12 4.97 2.88 0.23 -4.46 113.62 114.78 1zit n SER 16 Ca -0.01 0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1zit n SER 16 Cb 0.35 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.89 -1.48 -0.90 2.46 7.12 0.11 -1.86 115.31 119.87 1zit h LEU 17 Ca -0.02 0.22 0.14 0.00 0.13 0.00 0.00 57.88 58.34 1zit h LEU 17 Cb 0.92 0.64 -0.15 0.00 -0.53 0.00 0.00 40.66 41.54 1zit h LEU 17 CO -0.01 -0.38 -0.40 -1.28 -0.13 0.00 0.00 178.44 176.24 1zit h SER 18 N -0.35 -1.44 -0.97 1.25 0.87 -1.61 1.33 113.55 112.64 1zit h SER 18 Ca 0.13 0.29 0.22 0.00 -1.23 0.00 0.00 61.79 61.20 1zit h SER 18 Cb 0.59 0.73 -0.08 0.00 -0.44 0.00 0.00 62.40 63.20 1zit h SER 18 CO -0.57 -0.29 0.62 0.00 -0.53 0.00 0.00 176.83 176.07 1zit h ALA 19 N 1.20 2.08 -0.21 6.23 0.00 -1.54 0.59 119.26 127.62 1zit h ALA 19 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1zit h ALA 19 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zit h ALA 19 CO -0.91 -0.42 0.00 -0.89 0.00 0.00 0.00 179.25 177.03 1zit n ILE 20 N -4.60 0.00 -0.04 0.00 5.41 0.43 -1.62 119.36 118.94 1zit n ILE 20 Ca 0.22 0.82 0.24 0.00 1.00 0.00 0.00 62.75 65.02 1zit n ILE 20 Cb 0.72 -1.77 0.72 0.00 -0.71 0.00 0.00 39.64 38.59 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 0.00 -0.04 1.39 -0.00 -0.65 0.91 115.31 116.92 1zit h LEU 21 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 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 0.00 -0.36 -0.08 -0.00 0.00 0.00 178.44 178.00 1zit h GLU 22 N 0.00 0.00 0.17 0.17 4.81 0.11 -3.20 114.58 116.63 1zit h GLU 22 Ca 0.30 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.22 1zit h GLU 22 Cb 1.32 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.73 1zit h GLU 22 CO -0.00 0.36 -1.32 1.49 -0.73 0.00 0.00 179.01 178.80 1zit h GLU 23 N 0.00 0.54 -0.71 1.92 4.81 0.18 -3.30 114.58 118.02 1zit h GLU 23 Ca -0.00 -0.81 0.07 0.00 -0.13 0.00 0.00 59.36 58.49 1zit h GLU 23 Cb 1.26 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 1zit h GLU 23 CO 0.05 1.37 0.38 0.93 -0.73 0.00 0.00 179.01 181.01 1zit h GLU 24 N 0.20 0.66 0.00 1.92 4.39 -1.17 -3.46 114.58 117.12 1zit h GLU 24 Ca -0.20 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1zit h GLU 24 Cb 2.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 1zit h GLU 24 CO 0.25 0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 1zit n GLY 25 N -1.30 0.19 0.53 -3.84 0.00 -1.22 -5.13 105.19 94.42 1zit n GLY 25 Ca 0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.00 -3.60 1.61 4.01 -1.21 -4.89 117.16 113.07 1zit n TYR 26 Ca 0.00 -0.42 -0.28 0.00 -0.16 0.00 0.00 57.90 57.04 1zit n TYR 26 Cb 0.00 0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 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 -1.86 1.92 0.43 -0.72 2.46 -1.26 -4.85 115.29 111.41 1zit s HIS 27 Ca 0.04 -2.57 -0.25 0.00 0.47 0.00 0.00 55.06 52.75 1zit s HIS 27 Cb 0.00 -1.60 -0.08 0.00 -0.13 0.00 0.00 32.58 30.77 1zit s HIS 27 CO 0.03 -0.74 1.30 -2.14 -2.47 0.00 0.00 174.74 170.72 1zit s PRO 28 N -0.22 3.84 -0.00 2.88 0.02 -1.26 -2.97 135.00 137.30 1zit s PRO 28 Ca 0.26 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.46 1zit s PRO 28 Cb -0.06 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 1zit s PRO 28 CO -0.13 -0.59 0.14 -3.47 -0.33 0.00 0.00 177.00 172.61 1zit n ASP 29 N -0.08 0.45 -0.40 2.53 -0.08 -0.66 -4.92 116.55 113.40 1zit n ASP 29 Ca 0.05 -0.54 0.03 0.00 -1.51 0.00 0.00 54.79 52.82 1zit n ASP 29 Cb 0.44 1.01 -0.01 0.00 2.34 0.00 0.00 41.12 44.90 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1zit n THR 30 N -1.12 0.00 -3.82 5.18 -2.24 -1.26 -4.85 114.28 106.17 1zit n THR 30 Ca 0.01 0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1zit n THR 30 Cb 0.06 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.93 -1.44 -0.05 6.98 0.00 0.18 -4.57 121.76 120.94 1zit s ALA 31 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1zit s ALA 31 Cb 0.00 0.71 -0.10 0.00 0.00 0.00 0.00 23.12 23.73 1zit s ALA 31 CO 0.00 -1.04 0.07 1.63 0.00 0.00 0.00 175.76 176.42 1zit n LYS 32 N -0.57 1.95 -3.52 0.00 5.02 -1.24 -2.75 118.16 117.05 1zit n LYS 32 Ca -0.05 -0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.20 1zit n LYS 32 Cb 0.60 -1.19 0.02 0.00 -0.02 0.00 0.00 35.03 34.44 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 -2.10 0.00 -0.31 -0.18 -2.24 -1.26 -2.91 114.28 105.28 1zit n THR 33 Ca -0.08 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1zit n THR 33 Cb 0.56 0.62 0.14 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.05 0.03 3.22 3.38 -1.96 0.58 115.31 121.62 1zit h LEU 34 Ca -0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1zit h LEU 34 Cb 1.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1zit h LEU 34 CO 0.30 0.82 -0.01 0.03 0.09 0.00 0.00 178.44 179.66 1zit h ARG 35 N 1.20 -0.04 -0.21 1.13 3.08 -1.99 0.34 114.38 117.90 1zit h ARG 35 Ca 0.31 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 1zit h ARG 35 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1zit h ARG 35 CO -0.06 0.10 -0.15 1.49 -1.07 0.00 0.00 179.97 180.28 1zit h GLU 36 N -0.17 0.35 0.00 0.04 4.22 -1.85 -1.87 114.58 115.30 1zit h GLU 36 Ca -0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1zit h GLU 36 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1zit h GLU 36 CO 0.01 0.51 -0.02 0.00 -2.18 0.00 0.00 179.01 177.33 1zit h ALA 37 N 1.51 0.99 0.09 2.92 0.00 0.57 -2.58 119.26 122.76 1zit h ALA 37 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 1zit h ALA 37 Cb 0.47 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1zit h ALA 37 CO 0.03 0.02 -1.17 0.93 0.00 0.00 0.00 179.25 179.06 1zit h GLU 38 N 0.00 0.54 -0.43 0.00 5.08 0.49 -0.75 114.58 119.50 1zit h GLU 38 Ca -0.00 -0.69 -0.13 0.00 -1.00 0.00 0.00 59.36 57.53 1zit h GLU 38 Cb 0.82 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1zit h GLU 38 CO 0.00 1.30 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.83 1zit h LYS 39 N 0.25 0.92 -0.18 2.33 3.11 -1.40 0.83 116.57 122.41 1zit h LYS 39 Ca -0.15 -0.40 -0.16 0.00 -2.81 0.00 0.00 60.65 57.12 1zit h LYS 39 Cb 1.84 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.04 1zit h LYS 39 CO 0.22 1.06 -0.55 0.87 -2.81 0.00 0.00 179.45 178.24 1zit h LYS 40 N 0.78 0.55 0.00 1.90 1.79 -1.49 -3.06 116.57 117.05 1zit h LYS 40 Ca 0.10 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1zit h LYS 40 Cb 0.82 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1zit h LYS 40 CO 0.07 0.96 -0.54 0.82 -1.08 0.00 0.00 179.45 179.68 1zit h ILE 41 N 0.42 0.00 0.00 1.86 2.04 -0.97 -2.38 117.51 118.48 1zit h ILE 41 Ca 0.01 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1zit h ILE 41 Cb 1.09 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1zit h ILE 41 CO 0.10 0.00 0.08 0.11 0.00 0.00 0.00 178.15 178.44 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.57 0.79 -3.35 116.57 117.95 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zit h LYS 42 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1zit h LYS 42 CO 0.00 0.00 -0.16 0.39 -0.57 0.00 0.00 179.45 179.11 1zit n GLU 43 N -2.89 0.00 -1.65 3.15 1.02 -1.25 -5.05 120.64 113.97 1zit n GLU 43 Ca -0.03 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.67 1zit n GLU 43 Cb 0.14 -0.13 -0.04 0.00 -0.02 0.00 0.00 31.44 31.39 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 -2.96 3.80 -3.42 -4.62 -0.00 -0.90 -4.83 117.00 104.08 1zit n LEU 44 Ca 0.00 0.80 -0.34 0.00 -0.00 0.00 0.00 56.01 56.46 1zit n LEU 44 Cb 0.08 -1.48 -0.03 0.00 -0.00 0.00 0.00 43.42 41.99 1zit n LEU 44 CO 0.00 -0.02 2.54 0.33 -0.00 0.00 0.00 177.39 180.24 1zit n PHE 45 N 8.02 2.07 -1.59 1.96 7.35 -1.26 -4.51 117.46 129.50 1zit n PHE 45 Ca 0.23 -2.30 -0.46 0.00 -0.76 0.00 0.00 57.45 54.16 1zit n PHE 45 Cb 0.38 -1.98 -0.04 0.00 0.35 0.00 0.00 39.48 38.19 1zit n PHE 45 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1zit n PHE 46 N 5.33 2.03 0.16 -5.13 3.72 -1.26 -4.84 117.46 117.48 1zit n PHE 46 Ca 0.53 -0.04 0.03 0.00 -0.05 0.00 0.00 57.45 57.93 1zit n PHE 46 Cb 0.27 -2.68 0.24 0.00 -0.94 0.00 0.00 39.48 36.38 1zit n PHE 46 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1zit h PRO 47 N 12.50 0.00 -3.51 -1.08 0.13 -1.83 -3.42 132.00 134.79 1zit h PRO 47 Ca -0.41 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 1zit h PRO 47 Cb 1.27 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.05 1zit h PRO 47 CO 0.97 0.48 -0.73 0.08 -0.23 0.00 0.00 178.00 178.57 1zit s VAL 48 N -3.52 -0.04 0.05 1.56 1.01 -1.26 0.12 120.40 118.32 1zit s VAL 48 Ca -0.00 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1zit s VAL 48 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.34 1zit s VAL 48 CO 0.72 0.11 -0.10 -0.63 0.00 0.00 0.00 175.10 175.20 1zit s ILE 49 N 1.26 3.39 -0.30 2.22 -1.09 0.14 0.17 121.20 126.98 1zit s ILE 49 Ca -0.07 -1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 57.27 1zit s ILE 49 Cb -0.13 -2.52 0.10 0.00 -1.58 0.00 0.00 42.46 38.34 1zit s ILE 49 CO -0.03 0.26 0.14 -0.69 -1.23 0.00 0.00 174.94 173.39 1zit s VAL 50 N -1.08 0.07 0.79 2.92 1.01 0.41 -2.48 120.40 122.03 1zit s VAL 50 Ca 0.19 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1zit s VAL 50 Cb -0.11 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.26 1zit s VAL 50 CO 0.10 -0.76 1.12 -0.22 0.00 0.00 0.00 175.10 175.34 1zit s LEU 51 N 1.92 2.58 -0.37 3.92 2.96 -1.26 0.11 118.68 128.54 1zit s LEU 51 Ca 0.10 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1zit s LEU 51 Cb -0.17 -3.73 0.17 0.00 0.50 0.00 0.00 46.19 42.96 1zit s LEU 51 CO -0.31 -1.87 0.53 -0.62 -1.32 0.00 0.00 176.35 172.76 1zit s ASP 52 N -4.15 -0.60 -1.07 3.68 2.15 0.21 -2.14 116.67 114.74 1zit s ASP 52 Ca 0.61 -0.78 -0.08 0.00 0.43 0.00 0.00 52.55 52.73 1zit s ASP 52 Cb -0.13 1.50 -0.11 0.00 -0.30 0.00 0.00 42.92 43.89 1zit s ASP 52 CO 0.53 -0.24 2.75 1.33 -0.17 0.00 0.00 175.17 179.36 1zit n VAL 53 N 4.66 3.38 0.00 1.11 0.24 -1.26 -3.93 118.33 122.53 1zit n VAL 53 Ca 0.09 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.42 1zit n VAL 53 Cb 0.52 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.57 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N 3.55 0.00 0.01 6.34 -0.00 -1.26 -4.59 117.44 121.49 1zit n TRP 54 Ca 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 58.07 1zit n TRP 54 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.00 0.63 -0.25 5.87 2.81 -1.26 -4.97 117.12 119.95 1zit n MET 55 Ca 0.00 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1zit n MET 55 Cb 0.00 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 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 -2.92 0.52 0.00 0.03 -0.04 -1.26 -5.06 135.00 126.26 1zit n PRO 56 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1zit n PRO 56 Cb 0.91 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.37 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zit n ASP 57 N -2.49 0.00 -0.36 3.54 2.03 -1.26 -4.84 116.55 113.18 1zit n ASP 57 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1zit n ASP 57 Cb 0.00 0.14 -0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zit n GLY 58 N 0.36 -0.35 2.48 0.27 0.00 -1.26 -3.49 105.19 103.20 1zit n GLY 58 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.75 6.71 -0.34 1.61 9.92 -1.26 -4.69 116.55 124.75 1zit n ASP 59 Ca 0.00 -3.32 0.29 0.00 -0.53 0.00 0.00 54.79 51.22 1zit n ASP 59 Cb 0.03 -1.17 0.60 0.00 -0.64 0.00 0.00 41.12 39.94 1zit n ASP 59 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1zit h GLY 60 N 3.51 0.85 0.81 0.44 0.00 -1.98 0.72 103.07 107.42 1zit h GLY 60 Ca 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1zit h GLY 60 CO 0.99 -0.13 0.00 -2.08 0.00 0.00 0.00 176.54 175.33 1zit h VAL 61 N 0.23 1.16 -0.33 4.60 2.07 -1.84 -2.77 116.25 119.37 1zit h VAL 61 Ca 0.62 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1zit h VAL 61 Cb 1.89 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1zit h VAL 61 CO -0.22 0.12 0.00 0.59 0.02 0.00 0.00 177.57 178.08 1zit n ASN 62 N -4.99 2.02 0.05 0.57 3.02 0.26 -4.07 115.26 112.13 1zit n ASN 62 Ca -0.07 -1.92 -0.22 0.00 -0.03 0.00 0.00 54.58 52.33 1zit n ASN 62 Cb 0.12 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 38.92 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 2.33 0.63 -1.38 3.10 3.57 0.61 -3.33 116.94 122.47 1zit h PHE 63 Ca 0.00 -0.46 0.40 0.00 3.53 0.00 0.00 57.97 61.44 1zit h PHE 63 Cb 0.53 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1zit h PHE 63 CO 0.22 1.59 0.99 0.82 -2.23 0.00 0.00 178.31 179.70 1zit h ILE 64 N -0.09 0.30 -0.20 1.41 5.03 -1.70 0.76 117.51 123.03 1zit h ILE 64 Ca -0.30 -0.01 -0.20 0.00 -0.12 0.00 0.00 64.86 64.24 1zit h ILE 64 Cb 1.94 0.28 0.01 0.00 -3.03 0.00 0.00 36.82 36.02 1zit h ILE 64 CO 0.14 0.00 -0.63 -0.78 -0.68 0.00 0.00 178.15 176.20 1zit h ASP 65 N 0.02 0.91 -0.74 1.72 3.58 -1.83 -2.94 116.42 117.14 1zit h ASP 65 Ca 0.67 -0.59 0.08 0.00 0.42 0.00 0.00 57.03 57.60 1zit h ASP 65 Cb 2.62 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 43.34 1zit h ASP 65 CO -0.03 1.34 0.41 0.15 -2.88 0.00 0.00 179.24 178.23 1zit h PHE 66 N 0.53 0.75 -0.51 0.28 3.57 0.40 1.08 116.94 123.05 1zit h PHE 66 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1zit h PHE 66 Cb 1.26 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1zit h PHE 66 CO 0.09 0.33 0.27 0.82 -2.23 0.00 0.00 178.31 177.58 1zit h ILE 67 N 0.73 1.18 0.00 1.41 5.03 -1.46 -1.73 117.51 122.66 1zit h ILE 67 Ca 0.34 -0.47 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1zit h ILE 67 Cb 0.27 0.57 0.00 0.00 -3.03 0.00 0.00 36.82 34.62 1zit h ILE 67 CO -0.22 0.19 0.00 0.29 -0.68 0.00 0.00 178.15 177.74 1zit n LYS 68 N -4.64 0.24 -0.01 2.37 5.02 -0.67 0.37 118.16 120.83 1zit n LYS 68 Ca 0.02 0.23 -0.17 0.00 -2.02 0.00 0.00 58.31 56.37 1zit n LYS 68 Cb 0.09 -1.80 -0.09 0.00 -0.02 0.00 0.00 35.03 33.21 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1zit h GLU 69 N 0.00 0.54 -0.12 1.97 4.81 0.20 -3.22 114.58 118.77 1zit h GLU 69 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1zit h GLU 69 Cb 0.69 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1zit h GLU 69 CO 0.00 1.11 0.00 0.09 -0.73 0.00 0.00 179.01 179.48 1zit n ASN 70 N -4.17 2.48 -2.74 1.04 3.02 -0.81 -4.78 115.26 109.30 1zit n ASN 70 Ca -0.09 -2.26 -0.08 0.00 -0.03 0.00 0.00 54.58 52.12 1zit n ASN 70 Cb 0.66 -0.18 0.06 0.00 -0.61 0.00 0.00 39.78 39.72 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 -0.37 -2.68 0.25 6.41 7.64 0.16 -4.92 113.62 120.10 1zit n SER 71 Ca 0.08 -3.39 0.16 0.00 1.01 0.00 0.00 58.87 56.73 1zit n SER 71 Cb 0.42 1.84 0.63 0.00 -1.01 0.00 0.00 64.21 66.09 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 3.65 0.00 -0.84 1.43 0.11 -1.67 -2.82 132.00 131.86 1zit h PRO 72 Ca -0.14 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.50 1zit h PRO 72 Cb 1.06 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.90 1zit h PRO 72 CO 0.25 0.00 0.46 -3.47 -0.21 0.00 0.00 178.00 175.03 1zit n ASP 73 N -2.94 4.26 0.00 -2.05 2.03 -1.26 -4.95 116.55 111.64 1zit n ASP 73 Ca 0.01 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.62 1zit n ASP 73 Cb 0.30 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 -1.08 1.15 -3.76 1.67 2.88 -1.06 -4.49 113.62 108.93 1zit n SER 74 Ca 0.54 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.95 1zit n SER 74 Cb 1.30 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.64 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 1.47 -0.01 -0.29 2.46 1.01 0.33 -4.80 120.40 120.56 1zit s VAL 75 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1zit s VAL 75 Cb 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1zit s VAL 75 CO 0.00 0.02 -0.00 -0.69 0.00 0.00 0.00 175.10 174.43 1zit s VAL 76 N 0.58 3.05 -0.25 2.92 1.01 -1.26 0.25 120.40 126.70 1zit s VAL 76 Ca -0.04 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.67 1zit s VAL 76 Cb -0.05 -2.71 -0.18 0.00 0.00 0.00 0.00 36.38 33.44 1zit s VAL 76 CO -0.03 -0.05 -0.18 -0.38 0.00 0.00 0.00 175.10 174.45 1zit n ILE 77 N 4.65 1.51 -3.42 2.22 2.08 -1.04 0.14 119.36 125.50 1zit n ILE 77 Ca -0.14 -0.58 -0.28 0.00 0.56 0.00 0.00 62.75 62.32 1zit n ILE 77 Cb 0.44 -1.44 0.02 0.00 -0.75 0.00 0.00 39.64 37.92 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 -3.27 -5.54 -3.55 1.39 0.31 -1.26 -3.84 118.33 102.56 1zit n VAL 78 Ca -0.45 0.18 -0.33 0.00 -0.01 0.00 0.00 64.34 63.74 1zit n VAL 78 Cb 1.00 -4.34 -0.05 0.00 -0.91 0.00 0.00 33.84 29.54 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 -2.12 5.06 0.31 2.52 1.01 -0.91 -4.27 121.20 122.80 1zit s ILE 79 Ca 0.25 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1zit s ILE 79 Cb -0.03 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1zit s ILE 79 CO 0.85 0.08 0.00 0.35 0.00 0.00 0.00 174.94 176.22 1zit n THR 80 N 0.26 0.00 -2.78 2.92 -2.24 -1.26 -3.21 114.28 107.97 1zit n THR 80 Ca -0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 1zit n THR 80 Cb 0.52 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.03 -3.45 1.48 3.38 0.00 -1.26 -4.71 105.19 100.65 1zit n GLY 81 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1zit n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zit n HIS 82 N 1.85 -0.95 0.00 1.61 -0.00 -1.26 -4.53 115.22 111.93 1zit n HIS 82 Ca -0.25 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.93 1zit n HIS 82 Cb 0.41 0.37 0.00 0.00 -0.12 0.00 0.00 29.99 30.65 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1zit n GLY 83 N -0.05 2.09 4.03 1.57 0.00 -1.26 -5.16 105.19 106.41 1zit n GLY 83 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -7.34 -3.07 1.61 7.64 -1.26 -4.75 113.62 106.44 1zit n SER 84 Ca 0.00 0.83 -0.18 0.00 1.01 0.00 0.00 58.87 60.53 1zit n SER 84 Cb 0.00 -2.34 -0.02 0.00 -1.01 0.00 0.00 64.21 60.84 1zit n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1zit n VAL 85 N -3.19 -0.36 -0.02 0.44 0.31 -1.26 -4.91 118.33 109.35 1zit n VAL 85 Ca 0.01 -3.54 0.01 0.00 -0.01 0.00 0.00 64.34 60.80 1zit n VAL 85 Cb 0.35 -0.55 -0.07 0.00 -0.91 0.00 0.00 33.84 32.66 1zit n VAL 85 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1zit n ASP 86 N 0.99 2.88 0.03 4.52 5.68 -1.26 -4.30 116.55 125.09 1zit n ASP 86 Ca 0.19 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.37 1zit n ASP 86 Cb 0.60 1.12 -0.13 0.00 -1.14 0.00 0.00 41.12 41.57 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zit h THR 87 N 0.00 1.19 0.67 2.12 1.03 -1.93 -3.11 112.91 112.89 1zit h THR 87 Ca -0.10 -2.94 -0.03 0.00 -0.01 0.00 0.00 66.41 63.33 1zit h THR 87 Cb 0.89 2.65 0.01 0.00 -1.07 0.00 0.00 68.15 70.63 1zit h THR 87 CO 0.01 0.75 -0.32 0.00 -0.01 0.00 0.00 175.52 175.94 1zit h ALA 88 N 0.81 -0.90 -0.13 0.00 0.00 -1.93 -1.82 119.26 115.29 1zit h ALA 88 Ca -0.19 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1zit h ALA 88 Cb 1.94 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 20.07 1zit h ALA 88 CO 0.12 -0.96 0.12 -0.39 0.00 0.00 0.00 179.25 178.15 1zit h VAL 89 N -1.00 0.61 -0.00 0.00 -1.51 -1.75 1.07 116.25 113.67 1zit h VAL 89 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1zit h VAL 89 Cb 0.72 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1zit h VAL 89 CO 0.15 0.00 -0.08 1.17 -1.23 0.00 0.00 177.57 177.58 1zit n LYS 90 N -4.00 0.08 0.00 5.19 4.81 -0.95 -3.09 118.16 120.20 1zit n LYS 90 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1zit n LYS 90 Cb 0.24 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.79 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 -1.45 1.87 0.06 3.14 0.00 0.67 -4.66 120.51 120.15 1zit n ALA 91 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1zit n ALA 91 Cb 0.33 0.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 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 1.16 -0.13 0.00 3.07 0.87 -3.30 117.51 119.18 1zit h ILE 92 Ca 0.00 -2.52 0.04 0.00 1.55 0.00 0.00 64.86 63.93 1zit h ILE 92 Cb 0.58 2.90 -0.01 0.00 -0.27 0.00 0.00 36.82 40.03 1zit h ILE 92 CO 0.00 0.77 0.20 0.11 -1.05 0.00 0.00 178.15 178.18 1zit h LYS 93 N -0.12 0.00 0.00 0.16 1.57 -1.72 0.21 116.57 116.66 1zit h LYS 93 Ca -0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1zit h LYS 93 Cb 1.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.22 1zit h LYS 93 CO 0.16 0.00 -0.18 0.87 -0.57 0.00 0.00 179.45 179.72 1zit h LYS 94 N 0.00 0.00 0.00 3.15 1.79 -1.82 -3.45 116.57 116.24 1zit h LYS 94 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1zit h LYS 94 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1zit h LYS 94 CO -0.00 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 178.96 1zit n GLY 95 N -0.39 0.40 3.10 3.86 0.00 0.65 -4.97 105.19 107.85 1zit n GLY 95 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.07 -0.67 4.61 0.00 -0.75 -4.86 120.51 116.78 1zit n ALA 96 Ca 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 53.44 52.06 1zit n ALA 96 Cb 0.00 -1.11 0.16 0.00 0.00 0.00 0.00 19.45 18.50 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 -4.64 2.25 -0.87 0.00 9.36 0.36 -4.85 117.16 118.77 1zit n TYR 97 Ca 0.06 -1.39 0.00 0.00 3.32 0.00 0.00 57.90 59.89 1zit n TYR 97 Cb 0.44 -0.73 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 -1.91 0.22 0.00 0.00 176.86 175.17 1zit n GLU 98 N -0.58 -2.49 -1.64 2.98 2.13 -1.26 -4.89 120.64 114.88 1zit n GLU 98 Ca 0.42 1.86 -0.40 0.00 0.66 0.00 0.00 57.16 59.71 1zit n GLU 98 Cb 1.34 -2.09 0.03 0.00 0.27 0.00 0.00 31.44 30.99 1zit n GLU 98 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1zit n PHE 99 N -0.94 1.32 -2.91 4.31 3.01 -1.26 -4.76 117.46 116.24 1zit n PHE 99 Ca 0.00 0.48 -0.43 0.00 1.01 0.00 0.00 57.45 58.51 1zit n PHE 99 Cb 0.00 -2.23 -0.05 0.00 -0.01 0.00 0.00 39.48 37.19 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 -1.61 4.17 0.00 4.37 1.98 -1.25 -5.04 118.68 121.30 1zit s LEU 100 Ca 0.68 -0.06 -0.01 0.00 -2.89 0.00 0.00 54.13 51.85 1zit s LEU 100 Cb -0.48 -3.03 0.02 0.00 0.66 0.00 0.00 46.19 43.36 1zit s LEU 100 CO 0.53 -0.99 0.04 1.21 -1.89 0.00 0.00 176.35 175.25 1zit n GLU 101 N 6.92 -1.53 -2.63 1.98 2.13 -1.26 -4.71 120.64 121.54 1zit n GLU 101 Ca 0.03 -0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 1zit n GLU 101 Cb 0.48 -0.10 0.01 0.00 0.27 0.00 0.00 31.44 32.10 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1zit n LYS 102 N -1.85 -2.42 -2.06 5.31 5.02 -1.26 -4.86 118.16 116.03 1zit n LYS 102 Ca 0.01 2.12 -0.38 0.00 -2.02 0.00 0.00 58.31 58.04 1zit n LYS 102 Cb 0.03 -5.02 0.01 0.00 -0.02 0.00 0.00 35.03 30.03 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zit s PRO 103 N -2.05 3.51 -1.69 1.97 0.04 -1.26 -2.76 135.00 132.77 1zit s PRO 103 Ca 0.14 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1zit s PRO 103 Cb -0.04 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1zit s PRO 103 CO 0.67 -0.81 0.00 0.34 0.04 0.00 0.00 177.00 177.24 1zit n PHE 104 N -0.69 -0.89 -3.49 0.56 -0.00 -1.26 -4.93 117.46 106.76 1zit n PHE 104 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.41 1zit n PHE 104 Cb 0.47 -3.58 -0.04 0.00 -0.00 0.00 0.00 39.48 36.33 1zit n PHE 104 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1zit s SER 105 N -2.16 -0.53 -0.32 -2.13 1.04 -1.11 -5.08 113.70 103.41 1zit s SER 105 Ca 0.00 0.28 0.18 0.00 0.48 0.00 0.00 55.95 56.89 1zit s SER 105 Cb 0.00 0.49 0.46 0.00 0.10 0.00 0.00 66.02 67.07 1zit s SER 105 CO 0.00 -0.69 1.00 1.33 0.98 0.00 0.00 173.24 175.85 1zit n VAL 106 N 0.21 0.93 0.14 5.02 0.24 -1.26 -4.75 118.33 118.85 1zit n VAL 106 Ca -0.15 -2.91 -0.07 0.00 -2.04 0.00 0.00 64.34 59.18 1zit n VAL 106 Cb 0.61 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 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 2.88 -0.42 -0.57 7.34 4.81 -1.92 -2.32 114.58 124.38 1zit h GLU 107 Ca -0.12 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.30 1zit h GLU 107 Cb 1.20 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1zit h GLU 107 CO 0.43 -0.28 0.41 -0.09 -0.73 0.00 0.00 179.01 178.75 1zit h ARG 108 N -1.05 0.05 -0.84 1.92 2.43 -1.93 0.40 114.38 115.37 1zit h ARG 108 Ca -0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1zit h ARG 108 Cb 0.34 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 1zit h ARG 108 CO 0.07 0.03 0.44 0.35 -1.51 0.00 0.00 179.97 179.36 1zit h PHE 109 N 0.05 1.17 0.20 2.20 3.57 -1.91 0.09 116.94 122.32 1zit h PHE 109 Ca 0.27 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1zit h PHE 109 Cb 1.02 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1zit h PHE 109 CO -0.00 0.83 -0.49 1.25 -2.23 0.00 0.00 178.31 177.67 1zit h LEU 110 N 1.18 -1.44 -0.34 0.59 6.46 0.39 0.56 115.31 122.71 1zit h LEU 110 Ca 0.29 0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 58.14 1zit h LEU 110 Cb 0.06 0.52 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1zit h LEU 110 CO -0.04 -0.56 -0.00 -0.07 -0.62 0.00 0.00 178.44 177.15 1zit h LEU 111 N -0.77 0.59 -1.21 2.25 4.07 -1.48 -3.03 115.31 115.73 1zit h LEU 111 Ca -0.01 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1zit h LEU 111 Cb 0.76 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.30 1zit h LEU 111 CO -0.23 0.76 0.50 0.74 -1.08 0.00 0.00 178.44 179.13 1zit h THR 112 N 0.41 1.20 -0.44 0.22 2.02 -0.78 -2.89 112.91 112.65 1zit h THR 112 Ca 0.10 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 66.97 1zit h THR 112 Cb 0.45 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1zit h THR 112 CO 0.02 0.20 -0.23 0.40 0.37 0.00 0.00 175.52 176.28 1zit h ILE 113 N 1.06 0.34 -0.45 3.11 1.08 0.26 -1.61 117.51 121.30 1zit h ILE 113 Ca 0.28 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.83 1zit h ILE 113 Cb -0.10 0.34 -0.09 0.00 -3.07 0.00 0.00 36.82 33.90 1zit h ILE 113 CO -0.06 0.00 -0.42 0.50 -0.69 0.00 0.00 178.15 177.48 1zit h LYS 114 N -0.15 -0.29 -0.91 2.37 3.11 -1.57 0.36 116.57 119.49 1zit h LYS 114 Ca 0.21 0.02 0.18 0.00 -2.81 0.00 0.00 60.65 58.25 1zit h LYS 114 Cb 0.47 0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 31.69 1zit h LYS 114 CO -0.53 -0.19 0.59 1.25 -2.81 0.00 0.00 179.45 177.76 1zit h HIS 115 N -0.30 0.72 -0.88 1.91 2.76 -1.41 0.16 115.15 118.11 1zit h HIS 115 Ca 0.15 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1zit h HIS 115 Cb 0.58 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 1zit h HIS 115 CO -0.64 0.21 0.58 0.00 -1.30 0.00 0.00 177.93 176.78 1zit h ALA 116 N 1.61 1.44 0.00 5.26 0.00 0.59 0.87 119.26 129.03 1zit h ALA 116 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1zit h ALA 116 Cb 0.98 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1zit h ALA 116 CO -0.22 0.48 -0.23 0.74 0.00 0.00 0.00 179.25 180.01 1zit h PHE 117 N 1.11 0.00 0.00 0.00 0.04 -0.11 -3.07 116.94 114.91 1zit h PHE 117 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 1zit h PHE 117 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1zit h PHE 117 CO -0.00 0.00 -0.39 0.39 -0.60 0.00 0.00 178.31 177.71 1zit n GLU 118 N -2.57 0.21 -0.43 1.51 -0.58 -0.41 -4.39 120.64 113.98 1zit n GLU 118 Ca 0.04 0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1zit n GLU 118 Cb 0.48 -0.82 0.15 0.00 -0.57 0.00 0.00 31.44 30.68 1zit n GLU 118 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zit n GLU 119 N -3.33 2.38 -2.71 3.49 -0.58 0.29 -3.92 120.64 116.26 1zit n GLU 119 Ca -0.05 -1.34 -0.02 0.00 -0.42 0.00 0.00 57.16 55.33 1zit n GLU 119 Cb 0.20 -1.75 0.11 0.00 -0.57 0.00 0.00 31.44 29.44 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1zit n TYR 120 N 0.14 -1.39 -1.27 -0.32 4.19 -1.12 -4.91 117.16 112.48 1zit n TYR 120 Ca 0.16 -1.82 0.00 0.00 3.31 0.00 0.00 57.90 59.55 1zit n TYR 120 Cb 0.75 1.19 0.00 0.00 0.49 0.00 0.00 39.34 41.77 1zit n TYR 120 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20