#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit s LYS 2 N 0.00 2.88 -0.19 3.17 3.01 -1.26 -5.11 119.74 122.23 1zit s LYS 2 Ca 0.00 -0.81 -0.13 0.00 -1.01 0.00 0.00 55.97 54.01 1zit s LYS 2 Cb 0.00 -2.25 0.06 0.00 -1.01 0.00 0.00 37.83 34.63 1zit s LYS 2 CO 0.00 0.08 0.49 -0.98 0.51 0.00 0.00 175.35 175.45 1zit s ARG 3 N 0.58 0.51 0.30 1.68 3.03 -1.26 -2.56 118.95 121.23 1zit s ARG 3 Ca -0.14 0.82 0.10 0.00 2.03 0.00 0.00 55.73 58.54 1zit s ARG 3 Cb -0.17 0.12 -0.05 0.00 -1.03 0.00 0.00 34.95 33.82 1zit s ARG 3 CO 0.04 -0.12 -0.06 0.08 -1.13 0.00 0.00 175.30 174.11 1zit s VAL 4 N 1.00 2.80 0.08 4.99 1.01 -0.90 -4.04 120.40 125.35 1zit s VAL 4 Ca -0.06 -2.10 0.09 0.00 0.00 0.00 0.00 61.98 59.91 1zit s VAL 4 Cb -0.06 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1zit s VAL 4 CO -0.09 -0.31 -0.23 -0.22 0.00 0.00 0.00 175.10 174.26 1zit s LEU 5 N -3.64 2.44 0.01 3.92 2.96 0.19 -2.03 118.68 122.53 1zit s LEU 5 Ca 0.32 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1zit s LEU 5 Cb -0.03 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1zit s LEU 5 CO 0.18 0.22 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.56 1zit s VAL 6 N -0.98 1.44 -0.14 1.68 1.01 0.37 -0.39 120.40 123.39 1zit s VAL 6 Ca 0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1zit s VAL 6 Cb -0.10 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1zit s VAL 6 CO 0.06 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.74 1zit s VAL 7 N -0.61 0.54 0.03 2.92 1.01 0.20 0.13 120.40 124.62 1zit s VAL 7 Ca 0.06 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1zit s VAL 7 Cb -0.08 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1zit s VAL 7 CO 0.00 0.02 0.33 -0.62 0.00 0.00 0.00 175.10 174.84 1zit s ASP 8 N 1.88 -0.17 -0.27 3.32 2.15 0.27 0.33 116.67 124.18 1zit s ASP 8 Ca 0.02 -0.10 -0.04 0.00 0.43 0.00 0.00 52.55 52.86 1zit s ASP 8 Cb -0.15 0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 42.80 1zit s ASP 8 CO -0.07 -0.60 2.96 -0.67 -0.17 0.00 0.00 175.17 176.63 1zit n ASP 9 N 0.68 6.02 -3.64 -0.34 2.03 -1.26 -3.57 116.55 116.47 1zit n ASP 9 Ca -0.19 -2.92 -0.15 0.00 0.52 0.00 0.00 54.79 52.04 1zit n ASP 9 Cb 0.59 -1.28 -0.07 0.00 -0.72 0.00 0.00 41.12 39.64 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 -0.75 0.84 0.87 -0.67 -6.30 -1.26 -4.75 118.70 106.67 1zit s GLU 10 Ca 0.57 0.19 -0.11 0.00 -2.50 0.00 0.00 54.97 53.12 1zit s GLU 10 Cb 0.33 0.39 0.11 0.00 0.00 0.00 0.00 34.13 34.97 1zit s GLU 10 CO -0.12 -0.23 1.09 -1.21 0.02 0.00 0.00 175.26 174.81 1zit s GLU 11 N -0.96 1.45 1.59 4.30 0.41 -1.26 -4.79 118.70 119.44 1zit s GLU 11 Ca -0.10 1.00 0.00 0.00 -0.41 0.00 0.00 54.97 55.46 1zit s GLU 11 Cb -0.03 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1zit s GLU 11 CO 0.06 -2.16 0.00 0.43 -0.49 0.00 0.00 175.26 173.10 1zit n SER 12 N -3.85 -4.99 -4.88 -0.19 7.64 -1.26 -4.85 113.62 101.24 1zit n SER 12 Ca 0.08 0.16 -0.30 0.00 1.01 0.00 0.00 58.87 59.82 1zit n SER 12 Cb 0.54 -0.45 0.07 0.00 -1.01 0.00 0.00 64.21 63.35 1zit n SER 12 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1zit s ILE 13 N -0.26 2.95 -0.04 0.44 -1.09 -1.26 -4.94 121.20 117.00 1zit s ILE 13 Ca 0.00 0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.43 1zit s ILE 13 Cb 0.00 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 1zit s ILE 13 CO 0.00 -0.40 0.97 0.42 -1.23 0.00 0.00 174.94 174.70 1zit s THR 14 N -3.41 4.85 -0.07 2.92 -4.23 -1.26 -4.90 115.64 109.54 1zit s THR 14 Ca 0.60 2.02 -0.31 0.00 -1.18 0.00 0.00 61.69 62.81 1zit s THR 14 Cb -0.11 -4.30 -0.15 0.00 1.34 0.00 0.00 72.50 69.27 1zit s THR 14 CO 0.51 0.11 0.89 -1.54 -0.54 0.00 0.00 174.62 174.05 1zit n SER 15 N 4.28 0.17 0.00 3.99 3.41 -1.26 -0.42 113.62 123.80 1zit n SER 15 Ca 0.07 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1zit n SER 15 Cb 0.50 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1zit n SER 15 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1zit n SER 16 N 1.50 0.00 -0.07 4.04 3.41 -1.26 -4.64 113.62 116.61 1zit n SER 16 Ca 0.17 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.71 1zit n SER 16 Cb 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1zit h LEU 17 N 0.00 -0.41 0.04 1.04 7.12 -1.11 -1.29 115.31 120.70 1zit h LEU 17 Ca 0.00 0.10 0.01 0.00 0.13 0.00 0.00 57.88 58.12 1zit h LEU 17 Cb 0.00 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1zit h LEU 17 CO 0.00 -0.16 -0.24 -1.28 -0.13 0.00 0.00 178.44 176.63 1zit h SER 18 N -0.08 -0.74 -0.98 1.25 0.87 -1.84 -0.56 113.55 111.48 1zit h SER 18 Ca 0.15 0.08 0.26 0.00 -1.23 0.00 0.00 61.79 61.04 1zit h SER 18 Cb 0.30 0.28 -0.13 0.00 -0.44 0.00 0.00 62.40 62.40 1zit h SER 18 CO -0.33 -0.25 0.54 0.00 -0.53 0.00 0.00 176.83 176.26 1zit h ALA 19 N -1.07 1.74 0.27 6.23 0.00 -1.86 -0.46 119.26 124.12 1zit h ALA 19 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1zit h ALA 19 Cb 0.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1zit h ALA 19 CO -0.14 -0.36 -0.14 0.82 0.00 0.00 0.00 179.25 179.43 1zit h ILE 20 N 0.48 0.00 -1.11 0.00 2.04 -0.39 -1.33 117.51 117.20 1zit h ILE 20 Ca 0.65 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.82 1zit h ILE 20 Cb 1.29 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1zit h ILE 20 CO -0.52 0.00 0.77 -0.07 0.00 0.00 0.00 178.15 178.33 1zit h LEU 21 N -0.38 0.12 -1.07 1.44 3.38 -0.61 1.00 115.31 119.20 1zit h LEU 21 Ca -0.04 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1zit h LEU 21 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1zit h LEU 21 CO 0.06 0.02 -0.38 -0.33 0.09 0.00 0.00 178.44 177.90 1zit h GLU 22 N 0.10 0.17 0.10 1.13 5.08 -0.74 1.08 114.58 121.49 1zit h GLU 22 Ca 0.55 -0.07 -0.30 0.00 -1.00 0.00 0.00 59.36 58.54 1zit h GLU 22 Cb 1.99 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 1zit h GLU 22 CO -0.09 0.52 -1.53 1.49 -1.00 0.00 0.00 179.01 178.40 1zit h GLU 23 N 0.14 0.20 0.20 2.33 4.81 0.21 -3.36 114.58 119.12 1zit h GLU 23 Ca 0.02 -0.35 -0.32 0.00 -0.13 0.00 0.00 59.36 58.57 1zit h GLU 23 Cb 0.73 0.13 0.02 0.00 0.63 0.00 0.00 28.75 30.27 1zit h GLU 23 CO 0.06 1.04 -1.48 0.93 -0.73 0.00 0.00 179.01 178.83 1zit h GLU 24 N 0.06 0.43 -1.42 1.92 4.39 -0.69 -3.50 114.58 115.77 1zit h GLU 24 Ca -0.24 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.72 1zit h GLU 24 Cb 2.00 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.92 1zit h GLU 24 CO 0.15 1.34 0.00 0.41 -1.16 0.00 0.00 179.01 179.75 1zit n GLY 25 N 1.69 0.12 1.56 -3.84 0.00 0.37 -5.06 105.19 100.04 1zit n GLY 25 Ca -0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.31 0.06 -3.90 1.61 4.02 -1.07 -4.94 117.16 112.63 1zit n TYR 26 Ca 0.00 -1.22 -0.28 0.00 -0.01 0.00 0.00 57.90 56.39 1zit n TYR 26 Cb 0.08 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.27 1zit n TYR 26 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1zit s HIS 27 N -2.26 3.56 0.06 -0.72 3.76 -1.06 -4.95 115.29 113.69 1zit s HIS 27 Ca 0.10 -3.33 -0.25 0.00 -0.15 0.00 0.00 55.06 51.42 1zit s HIS 27 Cb 0.00 -2.73 -0.06 0.00 1.11 0.00 0.00 32.58 30.91 1zit s HIS 27 CO 0.07 -0.56 0.79 -1.25 -0.85 0.00 0.00 174.74 172.94 1zit s PRO 28 N -1.39 4.52 -0.10 8.40 0.04 -1.25 -2.11 135.00 143.11 1zit s PRO 28 Ca 0.24 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.42 1zit s PRO 28 Cb -0.06 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1zit s PRO 28 CO -0.16 0.30 -0.19 0.34 0.04 0.00 0.00 177.00 177.34 1zit s ASP 29 N -0.14 2.60 0.03 6.66 2.15 -0.86 -4.99 116.67 122.11 1zit s ASP 29 Ca 0.39 -0.47 -0.04 0.00 0.43 0.00 0.00 52.55 52.87 1zit s ASP 29 Cb -0.21 -1.19 -0.04 0.00 -0.30 0.00 0.00 42.92 41.18 1zit s ASP 29 CO 0.24 0.09 0.24 0.42 -0.17 0.00 0.00 175.17 175.99 1zit s THR 30 N 0.60 5.35 -0.08 1.71 -4.23 -1.26 0.14 115.64 117.87 1zit s THR 30 Ca -0.14 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1zit s THR 30 Cb -0.17 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1zit s THR 30 CO 0.04 0.27 -0.14 0.00 -0.54 0.00 0.00 174.62 174.25 1zit s ALA 31 N -1.39 1.47 -0.98 3.99 0.00 0.35 -4.91 121.76 120.30 1zit s ALA 31 Ca 0.30 -0.55 0.28 0.00 0.00 0.00 0.00 51.96 51.99 1zit s ALA 31 Cb -0.13 -0.66 1.03 0.00 0.00 0.00 0.00 23.12 23.37 1zit s ALA 31 CO 0.20 0.09 1.79 1.63 0.00 0.00 0.00 175.76 179.47 1zit n LYS 32 N 3.87 0.02 -3.65 0.00 5.02 -1.23 0.97 118.16 123.15 1zit n LYS 32 Ca -0.21 0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.06 1zit n LYS 32 Cb 0.52 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1zit n LYS 32 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zit s THR 33 N -3.01 0.00 0.63 -0.18 -4.23 -1.26 -4.01 115.64 103.58 1zit s THR 33 Ca 0.13 -0.33 0.37 0.00 -1.18 0.00 0.00 61.69 60.68 1zit s THR 33 Cb 0.18 -1.71 0.40 0.00 1.34 0.00 0.00 72.50 72.71 1zit s THR 33 CO 0.58 0.00 2.28 -0.07 -0.54 0.00 0.00 174.62 176.86 1zit h LEU 34 N 2.00 0.00 -0.01 4.79 3.38 -1.96 0.37 115.31 123.89 1zit h LEU 34 Ca -0.24 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1zit h LEU 34 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1zit h LEU 34 CO 0.27 0.00 -0.39 -0.09 0.09 0.00 0.00 178.44 178.32 1zit h ARG 35 N 0.00 0.27 -0.06 1.13 1.12 -1.99 -0.52 114.38 114.33 1zit h ARG 35 Ca 0.01 -0.29 -0.07 0.00 -1.11 0.00 0.00 59.98 58.53 1zit h ARG 35 Cb 0.10 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 1zit h ARG 35 CO -0.00 0.99 -0.26 1.49 -3.11 0.00 0.00 179.97 179.07 1zit h GLU 36 N -0.33 0.11 0.16 0.20 4.22 -1.58 -2.71 114.58 114.66 1zit h GLU 36 Ca -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1zit h GLU 36 Cb 1.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1zit h GLU 36 CO 0.08 0.37 -0.08 0.00 -2.18 0.00 0.00 179.01 177.20 1zit h ALA 37 N 1.64 -0.22 -0.92 2.92 0.00 -0.99 -2.75 119.26 118.93 1zit h ALA 37 Ca 0.02 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 55.00 1zit h ALA 37 Cb 0.52 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.25 1zit h ALA 37 CO 0.04 -0.26 0.32 0.93 0.00 0.00 0.00 179.25 180.28 1zit h GLU 38 N -0.95 0.22 0.28 0.00 5.08 -1.06 1.09 114.58 119.23 1zit h GLU 38 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1zit h GLU 38 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1zit h GLU 38 CO 0.04 0.14 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.84 1zit h LYS 39 N 0.22 -0.36 -0.00 2.33 3.11 -1.55 1.11 116.57 121.43 1zit h LYS 39 Ca 0.61 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.47 1zit h LYS 39 Cb 1.31 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.62 1zit h LYS 39 CO -0.66 -0.17 -0.03 0.87 -2.81 0.00 0.00 179.45 176.65 1zit h LYS 40 N -0.47 0.00 -0.00 1.90 1.79 -0.05 -0.97 116.57 118.77 1zit h LYS 40 Ca -0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1zit h LYS 40 Cb 0.35 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1zit h LYS 40 CO 0.06 0.03 -0.57 -0.89 -1.08 0.00 0.00 179.45 177.01 1zit n ILE 41 N -4.50 0.00 0.81 1.86 5.41 0.34 -2.06 119.36 121.21 1zit n ILE 41 Ca -0.03 -0.02 0.10 0.00 1.00 0.00 0.00 62.75 63.80 1zit n ILE 41 Cb 0.12 0.44 0.48 0.00 -0.71 0.00 0.00 39.64 39.96 1zit n ILE 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1zit n LYS 42 N -1.36 0.10 0.00 0.38 4.81 0.38 -4.24 118.16 118.22 1zit n LYS 42 Ca 0.06 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1zit n LYS 42 Cb 0.34 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1zit n GLU 43 N -1.43 0.00 -2.35 1.64 1.02 -1.24 -5.05 120.64 113.23 1zit n GLU 43 Ca 0.07 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1zit n GLU 43 Cb 0.22 -0.18 -0.02 0.00 -0.02 0.00 0.00 31.44 31.43 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 -4.53 4.11 -1.30 -4.62 1.98 -0.88 -4.90 118.68 108.54 1zit s LEU 44 Ca 0.00 1.65 -0.11 0.00 -2.89 0.00 0.00 54.13 52.78 1zit s LEU 44 Cb 0.00 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 43.25 1zit s LEU 44 CO 0.00 -0.89 2.48 0.33 -1.89 0.00 0.00 176.35 176.38 1zit n PHE 45 N 7.04 2.25 -1.63 5.38 7.35 -1.26 -4.46 117.46 132.14 1zit n PHE 45 Ca 0.15 -2.61 -0.48 0.00 -0.76 0.00 0.00 57.45 53.75 1zit n PHE 45 Cb 0.45 -2.18 -0.05 0.00 0.35 0.00 0.00 39.48 38.05 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 4.62 2.16 0.11 -5.13 3.72 -1.26 -4.85 117.46 116.82 1zit n PHE 46 Ca 0.61 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.98 1zit n PHE 46 Cb 0.25 -2.66 0.12 0.00 -0.94 0.00 0.00 39.48 36.25 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 10.75 0.13 -4.23 -1.08 0.13 -1.91 -3.43 132.00 132.35 1zit h PRO 47 Ca -0.44 -0.10 -0.45 0.00 -0.87 0.00 0.00 66.00 64.15 1zit h PRO 47 Cb 1.27 0.02 -0.34 0.00 0.13 0.00 0.00 31.00 32.09 1zit h PRO 47 CO 0.96 0.73 -0.79 0.08 -0.23 0.00 0.00 178.00 178.75 1zit s VAL 48 N -3.61 0.77 0.04 1.56 1.01 -1.26 0.13 120.40 119.04 1zit s VAL 48 Ca -0.03 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.77 1zit s VAL 48 Cb 0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1zit s VAL 48 CO 0.79 0.27 -0.24 -0.63 0.00 0.00 0.00 175.10 175.30 1zit s ILE 49 N 0.80 2.35 -0.19 2.22 -1.09 0.20 0.57 121.20 126.06 1zit s ILE 49 Ca -0.13 -1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 56.97 1zit s ILE 49 Cb -0.15 -1.93 0.06 0.00 -1.58 0.00 0.00 42.46 38.86 1zit s ILE 49 CO 0.02 0.38 0.07 -0.69 -1.23 0.00 0.00 174.94 173.49 1zit s VAL 50 N -0.82 0.23 -0.76 2.92 1.01 0.47 -2.40 120.40 121.05 1zit s VAL 50 Ca 0.12 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1zit s VAL 50 Cb -0.10 -0.85 0.18 0.00 0.00 0.00 0.00 36.38 35.61 1zit s VAL 50 CO 0.03 -0.29 0.75 -0.22 0.00 0.00 0.00 175.10 175.36 1zit s LEU 51 N 1.99 6.31 -0.94 3.92 2.96 -1.26 0.59 118.68 132.25 1zit s LEU 51 Ca 0.01 -2.31 -0.24 0.00 -0.22 0.00 0.00 54.13 51.38 1zit s LEU 51 Cb -0.17 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1zit s LEU 51 CO -0.11 -0.74 1.52 -0.62 -1.32 0.00 0.00 176.35 175.08 1zit s ASP 52 N 2.77 6.17 -1.09 3.68 -1.08 0.15 -3.44 116.67 123.83 1zit s ASP 52 Ca 0.16 -1.10 -0.26 0.00 -0.52 0.00 0.00 52.55 50.83 1zit s ASP 52 Cb -0.15 -2.57 -0.20 0.00 -1.46 0.00 0.00 42.92 38.54 1zit s ASP 52 CO -0.05 -1.80 2.06 1.33 0.52 0.00 0.00 175.17 177.23 1zit n VAL 53 N 6.99 0.52 0.00 1.11 0.24 -1.18 -4.43 118.33 121.58 1zit n VAL 53 Ca 0.29 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1zit n VAL 53 Cb 0.50 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 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 18.29 0.00 -3.06 6.34 -0.00 -1.26 -4.27 117.44 133.48 1zit n TRP 54 Ca 0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.77 1zit n TRP 54 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.77 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 0.00 1.00 0.00 5.87 1.56 -1.26 -5.02 117.12 119.26 1zit n MET 55 Ca 0.00 -3.12 0.00 0.00 -0.27 0.00 0.00 57.70 54.31 1zit n MET 55 Cb 0.00 -1.52 0.00 0.00 2.15 0.00 0.00 33.22 33.85 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1zit n PRO 56 N 0.24 2.31 -1.01 2.12 -0.05 -1.26 -4.91 135.00 132.44 1zit n PRO 56 Ca 0.20 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.61 1zit n PRO 56 Cb 0.69 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 34.10 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1zit n ASP 57 N 0.00 -0.47 -4.46 3.54 2.03 -1.26 -5.13 116.55 110.81 1zit n ASP 57 Ca 0.00 -1.87 -0.29 0.00 0.52 0.00 0.00 54.79 53.14 1zit n ASP 57 Cb 0.00 0.13 -0.12 0.00 -0.72 0.00 0.00 41.12 40.41 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1zit s GLY 58 N -1.06 1.64 -1.10 0.27 0.00 -1.26 -5.03 107.32 100.78 1zit s GLY 58 Ca 0.06 -1.37 -0.24 0.00 0.00 0.00 0.00 44.72 43.17 1zit s GLY 58 CO -0.03 -1.34 2.02 0.99 0.00 0.00 0.00 173.10 174.74 1zit s ASP 59 N -2.04 4.50 0.33 1.64 1.11 -1.26 -4.74 116.67 116.22 1zit s ASP 59 Ca 0.16 -1.25 0.02 0.00 0.18 0.00 0.00 52.55 51.66 1zit s ASP 59 Cb -0.10 -2.59 0.59 0.00 1.07 0.00 0.00 42.92 41.89 1zit s ASP 59 CO 0.08 -3.59 1.97 1.23 1.18 0.00 0.00 175.17 176.04 1zit h GLY 60 N 19.41 1.07 1.03 0.21 0.00 -1.99 -1.97 103.07 120.83 1zit h GLY 60 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1zit h GLY 60 CO 1.15 0.32 0.44 -2.08 0.00 0.00 0.00 176.54 176.37 1zit h VAL 61 N 0.94 1.26 0.00 4.60 2.07 -1.88 -0.88 116.25 122.36 1zit h VAL 61 Ca 0.30 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1zit h VAL 61 Cb 0.04 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1zit h VAL 61 CO -0.09 0.30 0.00 -1.13 0.02 0.00 0.00 177.57 176.67 1zit h ASN 62 N 1.21 0.00 0.78 0.57 -1.24 -1.75 -2.71 115.58 112.45 1zit h ASN 62 Ca 0.30 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 57.06 1zit h ASN 62 Cb 0.08 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.09 1zit h ASN 62 CO -0.04 0.00 -1.30 0.15 -1.29 0.00 0.00 177.43 174.95 1zit h PHE 63 N 0.00 0.00 -1.13 0.67 3.57 -0.76 -3.32 116.94 115.97 1zit h PHE 63 Ca 0.00 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.82 1zit h PHE 63 Cb 0.42 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1zit h PHE 63 CO 0.00 1.00 0.81 0.82 -2.23 0.00 0.00 178.31 178.71 1zit h ILE 64 N 0.00 0.44 -0.02 1.41 1.08 -1.09 0.89 117.51 120.21 1zit h ILE 64 Ca -0.13 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 1zit h ILE 64 Cb 1.87 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1zit h ILE 64 CO 0.11 0.01 -0.18 -0.78 -0.69 0.00 0.00 178.15 176.62 1zit h ASP 65 N 0.03 0.19 -0.86 1.72 1.82 -1.73 -3.11 116.42 114.49 1zit h ASP 65 Ca 0.55 -0.70 0.20 0.00 -0.39 0.00 0.00 57.03 56.69 1zit h ASP 65 Cb 2.12 -0.06 -0.12 0.00 0.68 0.00 0.00 39.33 41.95 1zit h ASP 65 CO -0.03 0.86 0.33 0.15 -1.61 0.00 0.00 179.24 178.94 1zit h PHE 66 N -0.46 0.55 -0.22 0.28 3.04 -1.00 1.40 116.94 120.54 1zit h PHE 66 Ca -0.02 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1zit h PHE 66 Cb 0.87 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1zit h PHE 66 CO 0.16 -0.06 0.14 0.82 -2.02 0.00 0.00 178.31 177.35 1zit h ILE 67 N 0.37 1.05 0.00 1.41 5.03 -1.52 -1.44 117.51 122.42 1zit h ILE 67 Ca 0.52 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 65.16 1zit h ILE 67 Cb 0.96 0.73 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 1zit h ILE 67 CO -0.53 0.05 0.00 0.07 -0.68 0.00 0.00 178.15 177.07 1zit h LYS 68 N 0.29 0.00 -0.06 2.37 5.09 -0.75 0.50 116.57 124.02 1zit h LYS 68 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.75 1zit h LYS 68 Cb -0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.30 1zit h LYS 68 CO -0.02 0.00 -0.25 1.49 -2.09 0.00 0.00 179.45 178.58 1zit h GLU 69 N 0.00 0.27 -0.19 0.07 4.81 0.27 -3.19 114.58 116.61 1zit h GLU 69 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1zit h GLU 69 Cb 0.68 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1zit h GLU 69 CO 0.00 0.85 0.00 0.27 -0.73 0.00 0.00 179.01 179.40 1zit n ASN 70 N -4.50 2.84 -2.74 1.04 0.23 -0.63 -4.75 115.26 106.76 1zit n ASN 70 Ca -0.08 -2.39 -0.08 0.00 -0.53 0.00 0.00 54.58 51.49 1zit n ASN 70 Cb 0.46 -0.27 0.07 0.00 -2.08 0.00 0.00 39.78 37.95 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1zit n SER 71 N -0.25 -2.62 0.10 0.53 7.64 0.18 -4.98 113.62 114.21 1zit n SER 71 Ca 0.12 -3.45 0.12 0.00 1.01 0.00 0.00 58.87 56.67 1zit n SER 71 Cb 0.52 1.86 0.45 0.00 -1.01 0.00 0.00 64.21 66.03 1zit n SER 71 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1zit n PRO 72 N 1.07 0.20 -0.98 1.43 -0.02 -1.21 -2.96 135.00 132.53 1zit n PRO 72 Ca 0.07 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1zit n PRO 72 Cb 0.66 -1.78 0.22 0.00 -0.02 0.00 0.00 33.50 32.59 1zit n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1zit n ASP 73 N -2.13 3.63 -1.22 2.55 2.03 -1.26 -4.97 116.55 115.18 1zit n ASP 73 Ca 0.04 -3.52 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1zit n ASP 73 Cb 0.34 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1zit n SER 74 N -0.85 1.23 -4.11 1.67 2.88 -1.16 -4.90 113.62 108.39 1zit n SER 74 Ca 0.44 -0.61 -0.22 0.00 -1.33 0.00 0.00 58.87 57.14 1zit n SER 74 Cb 1.34 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.40 1.13 -0.46 2.46 1.01 0.36 -4.94 120.40 120.36 1zit s VAL 75 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1zit s VAL 75 Cb 0.00 -0.94 0.14 0.00 0.00 0.00 0.00 36.38 35.58 1zit s VAL 75 CO 0.00 0.32 0.25 -0.69 0.00 0.00 0.00 175.10 174.98 1zit s VAL 76 N -0.33 1.60 -0.02 2.92 1.01 -1.26 0.59 120.40 124.91 1zit s VAL 76 Ca 0.05 -2.72 -0.20 0.00 0.00 0.00 0.00 61.98 59.12 1zit s VAL 76 Cb -0.06 -2.12 -0.32 0.00 0.00 0.00 0.00 36.38 33.89 1zit s VAL 76 CO -0.01 -0.89 0.95 0.40 0.00 0.00 0.00 175.10 175.55 1zit h ILE 77 N 5.25 1.43 -6.07 2.22 1.08 -1.71 0.12 117.51 119.83 1zit h ILE 77 Ca -0.01 -2.55 -0.03 0.00 -0.39 0.00 0.00 64.86 61.88 1zit h ILE 77 Cb 0.92 3.10 0.00 0.00 -3.07 0.00 0.00 36.82 37.77 1zit h ILE 77 CO 0.52 0.74 -1.00 0.52 -0.69 0.00 0.00 178.15 178.23 1zit n VAL 78 N -4.00 -4.72 -3.02 1.67 0.31 -1.26 -4.08 118.33 103.23 1zit n VAL 78 Ca -0.14 0.80 -0.20 0.00 -0.01 0.00 0.00 64.34 64.79 1zit n VAL 78 Cb 0.90 -4.07 0.07 0.00 -0.91 0.00 0.00 33.84 29.83 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 -1.22 2.09 0.11 2.52 1.01 -1.22 -4.40 121.20 120.09 1zit s ILE 79 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1zit s ILE 79 Cb -0.00 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1zit s ILE 79 CO 0.26 0.00 0.00 0.41 0.00 0.00 0.00 174.94 175.61 1zit n THR 80 N -2.29 -0.47 0.00 2.92 -1.04 -1.26 -3.12 114.28 109.02 1zit n THR 80 Ca 0.16 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1zit n THR 80 Cb 0.62 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zit n GLY 81 N -1.82 -0.65 1.62 3.41 0.00 -1.26 -4.52 105.19 101.98 1zit n GLY 81 Ca -0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 -2.33 0.00 1.61 -0.00 -1.26 -4.96 115.22 108.28 1zit n HIS 82 Ca 0.00 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.37 1zit n HIS 82 Cb 0.00 0.84 0.00 0.00 -0.12 0.00 0.00 29.99 30.71 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 -1.49 -0.48 3.54 1.57 0.00 -1.26 -5.13 105.19 101.94 1zit n GLY 83 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 1.25 1.01 -0.51 1.61 0.15 -1.26 -4.94 113.70 111.02 1zit s SER 84 Ca 0.00 1.03 0.02 0.00 0.70 0.00 0.00 55.95 57.70 1zit s SER 84 Cb 0.00 -1.56 0.60 0.00 -1.71 0.00 0.00 66.02 63.35 1zit s SER 84 CO 0.00 -4.11 1.94 1.33 1.20 0.00 0.00 173.24 173.60 1zit n VAL 85 N -4.81 3.32 0.06 4.45 0.24 -1.26 -4.48 118.33 115.85 1zit n VAL 85 Ca 0.08 -2.27 -0.16 0.00 -2.04 0.00 0.00 64.34 59.95 1zit n VAL 85 Cb 0.58 -0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 32.20 1zit n VAL 85 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1zit h ASP 86 N 1.32 0.66 0.43 -1.34 2.03 -1.99 -2.52 116.42 115.01 1zit h ASP 86 Ca 0.62 -0.53 -0.17 0.00 -0.73 0.00 0.00 57.03 56.21 1zit h ASP 86 Cb 2.20 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 40.49 1zit h ASP 86 CO 1.24 1.33 -0.74 0.00 -1.03 0.00 0.00 179.24 180.04 1zit h THR 87 N 0.29 1.43 0.88 1.15 1.03 -1.98 -2.38 112.91 113.33 1zit h THR 87 Ca -0.10 -2.27 -0.04 0.00 -0.01 0.00 0.00 66.41 63.99 1zit h THR 87 Cb 1.62 2.21 0.01 0.00 -1.07 0.00 0.00 68.15 70.92 1zit h THR 87 CO 0.18 0.67 -0.42 0.00 -0.01 0.00 0.00 175.52 175.93 1zit h ALA 88 N 1.06 -1.19 -0.07 0.00 0.00 -1.85 -2.45 119.26 114.77 1zit h ALA 88 Ca -0.03 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1zit h ALA 88 Cb 1.31 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1zit h ALA 88 CO 0.12 -1.14 0.07 -0.39 0.00 0.00 0.00 179.25 177.90 1zit h VAL 89 N -1.23 0.57 0.00 0.00 -1.51 -1.50 0.30 116.25 112.88 1zit h VAL 89 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1zit h VAL 89 Cb 0.91 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1zit h VAL 89 CO 0.20 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.71 1zit n LYS 90 N -3.93 0.49 0.00 5.19 4.81 -0.90 -2.11 118.16 121.70 1zit n LYS 90 Ca -0.01 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1zit n LYS 90 Cb 0.17 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.72 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 -1.23 2.00 0.05 3.14 0.00 0.59 -4.64 120.51 120.41 1zit n ALA 91 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1zit n ALA 91 Cb 0.19 0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 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 1.34 -0.18 0.00 3.07 -0.68 -3.11 117.51 117.95 1zit h ILE 92 Ca 0.00 -2.30 0.05 0.00 1.55 0.00 0.00 64.86 64.16 1zit h ILE 92 Cb 0.96 2.63 -0.01 0.00 -0.27 0.00 0.00 36.82 40.14 1zit h ILE 92 CO 0.00 0.69 0.14 0.50 -1.05 0.00 0.00 178.15 178.43 1zit h LYS 93 N 0.14 0.00 0.48 0.16 3.64 -1.62 -2.66 116.57 116.71 1zit h LYS 93 Ca -0.14 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1zit h LYS 93 Cb 1.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1zit h LYS 93 CO 0.19 0.00 -0.23 0.87 -2.27 0.00 0.00 179.45 178.01 1zit h LYS 94 N 0.00 -0.62 0.00 1.90 1.79 -1.75 -3.46 116.57 114.43 1zit h LYS 94 Ca 0.09 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1zit h LYS 94 Cb 0.37 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1zit h LYS 94 CO -0.00 -0.41 -0.03 0.41 -1.08 0.00 0.00 179.45 178.33 1zit n GLY 95 N -0.28 -0.11 1.88 3.86 0.00 -1.07 -5.08 105.19 104.39 1zit n GLY 95 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.04 0.02 4.61 0.00 -1.02 -4.83 120.51 119.24 1zit n ALA 96 Ca -0.03 -0.93 0.05 0.00 0.00 0.00 0.00 53.44 52.53 1zit n ALA 96 Cb 0.23 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.23 0.55 -1.57 0.00 9.36 0.40 -4.87 117.16 118.81 1zit n TYR 97 Ca 0.08 0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1zit n TYR 97 Cb 0.28 -0.87 0.00 0.00 -0.63 0.00 0.00 39.34 38.13 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 -2.62 -0.60 -3.94 2.98 0.28 -1.25 -5.03 120.64 110.45 1zit n GLU 98 Ca -0.09 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.61 1zit n GLU 98 Cb 0.73 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.44 1zit n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1zit s PHE 99 N -2.54 2.61 -0.78 -1.84 5.36 -1.26 -4.41 117.98 115.13 1zit s PHE 99 Ca 0.00 -2.01 -0.24 0.00 -0.96 0.00 0.00 56.93 53.72 1zit s PHE 99 Cb 0.00 -1.85 -0.16 0.00 -0.34 0.00 0.00 43.02 40.67 1zit s PHE 99 CO 0.00 -0.83 2.39 -0.11 -1.46 0.00 0.00 175.22 175.22 1zit n LEU 100 N 4.60 1.38 -4.56 6.12 -0.00 -1.26 -4.80 117.00 118.48 1zit n LEU 100 Ca -0.08 -1.14 -0.13 0.00 -0.00 0.00 0.00 56.01 54.66 1zit n LEU 100 Cb 0.43 -1.47 -0.08 0.00 -0.00 0.00 0.00 43.42 42.31 1zit n LEU 100 CO 0.18 -2.23 1.21 -1.84 -0.00 0.00 0.00 177.39 174.71 1zit n GLU 101 N 8.37 0.49 0.00 1.96 0.28 -1.26 -4.50 120.64 125.98 1zit n GLU 101 Ca 0.49 -0.94 0.00 0.00 -0.16 0.00 0.00 57.16 56.55 1zit n GLU 101 Cb 0.39 -3.68 0.00 0.00 1.43 0.00 0.00 31.44 29.59 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1zit n LYS 102 N 8.67 0.00 0.11 3.44 5.02 -1.26 -5.01 118.16 129.12 1zit n LYS 102 Ca 0.47 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.83 1zit n LYS 102 Cb 0.43 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 35.85 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1zit n PRO 103 N 0.00 0.10 -3.74 1.97 -0.04 -1.26 -4.28 135.00 127.75 1zit n PRO 103 Ca 0.00 0.58 -0.38 0.00 -0.04 0.00 0.00 63.50 63.66 1zit n PRO 103 Cb 0.00 -1.81 -0.12 0.00 -0.04 0.00 0.00 33.50 31.53 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 -3.37 3.28 0.48 0.54 0.40 -1.26 -4.96 117.98 113.09 1zit s PHE 104 Ca -0.01 -1.47 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 1zit s PHE 104 Cb 0.05 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.20 1zit s PHE 104 CO 0.15 -0.75 0.00 0.45 0.70 0.00 0.00 175.22 175.77 1zit n SER 105 N 4.81 -7.27 -2.26 1.36 2.88 -1.26 -4.74 113.62 107.14 1zit n SER 105 Ca -0.12 1.40 -0.32 0.00 -1.33 0.00 0.00 58.87 58.51 1zit n SER 105 Cb 0.44 -4.08 0.06 0.00 -0.75 0.00 0.00 64.21 59.88 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 -1.90 3.29 0.07 2.46 0.24 -1.26 -4.66 118.33 116.57 1zit n VAL 106 Ca 0.00 -3.38 -0.13 0.00 -2.04 0.00 0.00 64.34 58.79 1zit n VAL 106 Cb 0.26 -1.16 -0.09 0.00 -1.47 0.00 0.00 33.84 31.39 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 2.09 -0.20 -0.13 7.34 4.81 -1.93 -2.43 114.58 124.12 1zit h GLU 107 Ca 0.53 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.77 1zit h GLU 107 Cb 1.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1zit h GLU 107 CO 1.34 0.18 0.05 -0.09 -0.73 0.00 0.00 179.01 179.76 1zit h ARG 108 N -0.64 0.18 -0.92 1.92 2.43 -1.94 -0.69 114.38 114.72 1zit h ARG 108 Ca -0.02 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1zit h ARG 108 Cb 0.48 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1zit h ARG 108 CO 0.04 0.16 0.59 0.35 -1.51 0.00 0.00 179.97 179.59 1zit h PHE 109 N 0.19 1.09 -0.65 2.20 3.57 -1.83 -2.12 116.94 119.39 1zit h PHE 109 Ca 0.05 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.71 1zit h PHE 109 Cb 0.05 -0.36 -0.11 0.00 2.79 0.00 0.00 35.95 38.32 1zit h PHE 109 CO 0.00 0.58 -0.03 1.25 -2.23 0.00 0.00 178.31 177.88 1zit h LEU 110 N 1.09 -0.34 -0.59 0.59 6.46 -0.63 0.24 115.31 122.14 1zit h LEU 110 Ca 0.39 0.17 0.08 0.00 -0.12 0.00 0.00 57.88 58.40 1zit h LEU 110 Cb 0.13 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1zit h LEU 110 CO -0.16 -0.14 0.25 -0.07 -0.62 0.00 0.00 178.44 177.69 1zit h LEU 111 N 0.09 0.29 -0.57 2.25 4.07 -1.45 -1.98 115.31 118.02 1zit h LEU 111 Ca 0.34 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 58.24 1zit h LEU 111 Cb 0.55 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1zit h LEU 111 CO -0.58 0.18 -0.10 0.74 -1.08 0.00 0.00 178.44 177.60 1zit h THR 112 N 0.45 1.27 -0.41 0.22 2.02 -1.11 -3.21 112.91 112.14 1zit h THR 112 Ca 0.28 -1.26 0.07 0.00 0.77 0.00 0.00 66.41 66.28 1zit h THR 112 Cb 0.30 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 1zit h THR 112 CO -0.26 0.45 -0.39 0.40 0.37 0.00 0.00 175.52 176.09 1zit h ILE 113 N 0.92 0.15 -0.35 3.11 1.08 -0.24 0.41 117.51 122.59 1zit h ILE 113 Ca 0.14 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.68 1zit h ILE 113 Cb 0.67 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.49 1zit h ILE 113 CO 0.05 0.00 -0.37 0.50 -0.69 0.00 0.00 178.15 177.64 1zit h LYS 114 N -0.30 -0.31 -0.08 2.37 3.11 -1.52 0.33 116.57 120.17 1zit h LYS 114 Ca 0.15 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1zit h LYS 114 Cb 0.57 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1zit h LYS 114 CO -0.56 -0.20 0.06 0.45 -2.81 0.00 0.00 179.45 176.38 1zit h HIS 115 N -0.32 0.09 -0.63 1.91 3.86 -1.35 -1.27 115.15 117.44 1zit h HIS 115 Ca 0.14 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1zit h HIS 115 Cb 0.57 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1zit h HIS 115 CO -0.55 0.06 0.30 0.00 0.86 0.00 0.00 177.93 178.60 1zit h ALA 116 N 1.95 1.35 0.00 2.45 0.00 0.37 -2.33 119.26 123.05 1zit h ALA 116 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1zit h ALA 116 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1zit h ALA 116 CO -0.01 0.51 -0.88 0.74 0.00 0.00 0.00 179.25 179.61 1zit h PHE 117 N 0.89 0.00 -0.10 0.00 0.04 -0.33 -3.24 116.94 114.20 1zit h PHE 117 Ca 0.22 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.02 1zit h PHE 117 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1zit h PHE 117 CO 0.01 0.86 0.20 0.93 -0.60 0.00 0.00 178.31 179.71 1zit h GLU 118 N 0.00 0.00 -0.99 1.51 5.08 -0.77 0.77 114.58 120.18 1zit h GLU 118 Ca -0.01 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.89 1zit h GLU 118 Cb 1.67 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.65 1zit h GLU 118 CO 0.11 0.00 0.57 0.39 -1.00 0.00 0.00 179.01 179.08 1zit n GLU 119 N -3.39 2.13 -1.10 2.33 1.02 -1.21 -4.37 120.64 116.05 1zit n GLU 119 Ca -0.00 -2.65 -0.16 0.00 -0.02 0.00 0.00 57.16 54.32 1zit n GLU 119 Cb 0.29 -2.04 0.21 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.93 2.55 -0.63 -0.32 9.36 0.26 -4.97 117.16 122.48 1zit n TYR 120 Ca 0.52 -1.67 0.00 0.00 3.32 0.00 0.00 57.90 60.07 1zit n TYR 120 Cb 1.53 -0.81 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53