#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 2.78 -0.06 0.03 3.01 -1.26 -5.09 119.74 119.16 1zit s LYS 2 Ca 0.00 -0.77 -0.00 0.00 -1.01 0.00 0.00 55.97 54.19 1zit s LYS 2 Cb 0.00 -2.27 0.03 0.00 -1.01 0.00 0.00 37.83 34.58 1zit s LYS 2 CO 0.00 -0.03 -0.01 1.03 0.51 0.00 0.00 175.35 176.85 1zit s ARG 3 N 0.86 0.59 0.03 1.68 3.00 -1.26 0.12 118.95 123.97 1zit s ARG 3 Ca -0.07 0.06 0.08 0.00 0.00 0.00 0.00 55.73 55.80 1zit s ARG 3 Cb -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 34.95 33.94 1zit s ARG 3 CO -0.02 -0.22 -0.23 0.08 0.00 0.00 0.00 175.30 174.92 1zit s VAL 4 N 1.54 1.85 -0.06 3.52 1.01 -0.99 -4.03 120.40 123.24 1zit s VAL 4 Ca -0.02 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.55 1zit s VAL 4 Cb -0.13 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1zit s VAL 4 CO -0.03 0.32 0.55 -0.22 0.00 0.00 0.00 175.10 175.71 1zit s LEU 5 N -1.07 4.35 -0.54 3.92 2.96 0.13 -2.11 118.68 126.32 1zit s LEU 5 Ca 0.09 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 1zit s LEU 5 Cb -0.09 -2.82 0.13 0.00 0.50 0.00 0.00 46.19 43.91 1zit s LEU 5 CO 0.01 0.04 0.29 -0.69 -1.32 0.00 0.00 176.35 174.69 1zit s VAL 6 N 0.23 2.71 -0.36 1.68 1.01 -1.26 0.12 120.40 124.53 1zit s VAL 6 Ca 0.29 -3.34 -0.29 0.00 0.00 0.00 0.00 61.98 58.64 1zit s VAL 6 Cb -0.17 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1zit s VAL 6 CO 0.14 -0.82 1.11 -0.69 0.00 0.00 0.00 175.10 174.85 1zit s VAL 7 N -0.33 4.39 0.00 2.92 1.01 0.17 -0.72 120.40 127.84 1zit s VAL 7 Ca 0.17 1.56 -0.22 0.00 0.00 0.00 0.00 61.98 63.49 1zit s VAL 7 Cb -0.25 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 31.73 1zit s VAL 7 CO -0.01 -0.63 0.49 -0.62 0.00 0.00 0.00 175.10 174.34 1zit s ASP 8 N 1.97 -0.41 -0.31 3.32 2.15 -1.21 -0.63 116.67 121.55 1zit s ASP 8 Ca 0.47 0.28 -0.04 0.00 0.43 0.00 0.00 52.55 53.69 1zit s ASP 8 Cb -0.11 0.45 -0.01 0.00 -0.30 0.00 0.00 42.92 42.94 1zit s ASP 8 CO 0.20 -0.61 2.90 -0.67 -0.17 0.00 0.00 175.17 176.83 1zit n ASP 9 N 0.80 6.12 -1.43 -0.34 2.03 -1.15 -3.61 116.55 118.96 1zit n ASP 9 Ca -0.19 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1zit n ASP 9 Cb 0.58 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1zit n ASP 9 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zit n GLU 10 N 1.26 2.21 -0.03 -0.67 2.13 -1.26 -4.76 120.64 119.52 1zit n GLU 10 Ca 0.44 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.11 1zit n GLU 10 Cb 0.65 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.26 1zit n GLU 10 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1zit h GLU 11 N 0.00 0.26 0.00 5.31 4.57 -1.94 -3.47 114.58 119.31 1zit h GLU 11 Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1zit h GLU 11 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1zit h GLU 11 CO 0.00 0.89 0.00 -1.13 -1.18 0.00 0.00 179.01 177.59 1zit n SER 12 N -4.48 0.00 -4.96 1.04 3.41 -1.26 -5.05 113.62 102.32 1zit n SER 12 Ca -0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.30 1zit n SER 12 Cb 0.49 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1zit n SER 12 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zit s ILE 13 N -0.15 4.37 0.52 -1.33 -1.09 -1.26 -4.55 121.20 117.69 1zit s ILE 13 Ca 0.00 -0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1zit s ILE 13 Cb 0.00 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1zit s ILE 13 CO 0.00 -0.35 0.78 0.42 -1.23 0.00 0.00 174.94 174.56 1zit s THR 14 N -2.38 3.77 0.13 2.92 -4.23 -1.26 -4.90 115.64 109.69 1zit s THR 14 Ca 0.45 -0.28 -0.31 0.00 -1.18 0.00 0.00 61.69 60.37 1zit s THR 14 Cb -0.10 -3.44 -0.07 0.00 1.34 0.00 0.00 72.50 70.23 1zit s THR 14 CO 0.35 -0.37 1.28 -0.55 -0.54 0.00 0.00 174.62 174.79 1zit s SER 15 N -4.27 6.97 0.00 3.99 0.15 -1.26 -2.84 113.70 116.44 1zit s SER 15 Ca 0.51 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1zit s SER 15 Cb -0.10 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1zit s SER 15 CO 0.41 -0.52 0.00 -1.20 1.20 0.00 0.00 173.24 173.13 1zit n SER 16 N 3.39 0.00 -0.09 5.45 7.64 -1.26 -4.52 113.62 124.23 1zit n SER 16 Ca 0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 1zit n SER 16 Cb 0.44 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 1zit n SER 16 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1zit n LEU 17 N 0.00 1.84 -0.12 -3.43 0.00 -1.13 -3.78 117.00 110.37 1zit n LEU 17 Ca 0.00 0.53 -0.10 0.00 0.00 0.00 0.00 56.01 56.44 1zit n LEU 17 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 43.42 42.46 1zit n LEU 17 CO 0.00 -0.10 0.57 -1.28 0.00 0.00 0.00 177.39 176.58 1zit h SER 18 N -1.00 -1.45 -0.98 1.96 0.87 -1.88 0.11 113.55 111.18 1zit h SER 18 Ca -0.18 0.22 0.15 0.00 -1.23 0.00 0.00 61.79 60.75 1zit h SER 18 Cb 0.91 0.63 -0.09 0.00 -0.44 0.00 0.00 62.40 63.41 1zit h SER 18 CO -0.11 -0.37 0.62 0.00 -0.53 0.00 0.00 176.83 176.43 1zit h ALA 19 N 0.38 1.66 0.29 6.23 0.00 -1.89 -1.35 119.26 124.58 1zit h ALA 19 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zit h ALA 19 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1zit h ALA 19 CO -0.57 0.06 -0.14 0.82 0.00 0.00 0.00 179.25 179.42 1zit h ILE 20 N 0.85 0.00 -1.20 0.00 2.04 -0.98 -2.65 117.51 115.56 1zit h ILE 20 Ca 0.51 -0.08 0.35 0.00 1.00 0.00 0.00 64.86 66.64 1zit h ILE 20 Cb 0.68 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1zit h ILE 20 CO -0.28 0.00 0.88 -0.07 0.00 0.00 0.00 178.15 178.68 1zit h LEU 21 N -0.48 0.00 -1.07 1.44 3.38 -0.81 1.26 115.31 119.03 1zit h LEU 21 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 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 -0.44 -0.08 0.09 0.00 0.00 178.44 178.08 1zit h GLU 22 N 0.00 0.00 0.13 1.13 4.81 -1.12 0.85 114.58 120.38 1zit h GLU 22 Ca 0.57 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.50 1zit h GLU 22 Cb 2.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.71 1zit h GLU 22 CO -0.01 0.44 -1.51 1.49 -0.73 0.00 0.00 179.01 178.69 1zit h GLU 23 N 0.00 0.27 0.21 1.92 4.81 0.19 -3.36 114.58 118.63 1zit h GLU 23 Ca -0.00 -0.46 -0.33 0.00 -0.13 0.00 0.00 59.36 58.43 1zit h GLU 23 Cb 0.83 0.17 0.02 0.00 0.63 0.00 0.00 28.75 30.41 1zit h GLU 23 CO 0.06 1.15 -1.53 0.93 -0.73 0.00 0.00 179.01 178.88 1zit h GLU 24 N 0.07 0.45 -0.01 1.92 4.39 -1.13 -3.49 114.58 116.79 1zit h GLU 24 Ca -0.24 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.69 1zit h GLU 24 Cb 2.02 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 30.96 1zit h GLU 24 CO 0.17 1.36 0.00 0.41 -1.16 0.00 0.00 179.01 179.79 1zit n GLY 25 N 1.73 1.77 1.10 -3.84 0.00 0.29 -5.08 105.19 101.16 1zit n GLY 25 Ca -0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.90 -3.90 -3.57 1.61 4.02 -0.62 -4.71 117.16 109.09 1zit n TYR 26 Ca 0.00 -0.36 -0.29 0.00 -0.01 0.00 0.00 57.90 57.24 1zit n TYR 26 Cb 0.02 -0.28 -0.12 0.00 -0.02 0.00 0.00 39.34 38.93 1zit n TYR 26 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1zit s HIS 27 N -1.68 1.35 -0.00 -0.72 2.46 0.12 -4.88 115.29 111.93 1zit s HIS 27 Ca 0.21 -2.06 -0.30 0.00 0.47 0.00 0.00 55.06 53.38 1zit s HIS 27 Cb -0.01 -1.36 -0.03 0.00 -0.13 0.00 0.00 32.58 31.05 1zit s HIS 27 CO 0.15 -0.80 1.04 -1.25 -2.47 0.00 0.00 174.74 171.40 1zit s PRO 28 N 0.61 4.51 0.00 2.88 0.04 -1.26 -2.34 135.00 139.45 1zit s PRO 28 Ca 0.19 1.50 0.24 0.00 0.04 0.00 0.00 61.00 62.97 1zit s PRO 28 Cb -0.21 -3.45 0.29 0.00 0.04 0.00 0.00 34.50 31.18 1zit s PRO 28 CO -0.02 -0.13 1.32 -3.47 0.04 0.00 0.00 177.00 174.74 1zit n ASP 29 N 4.07 3.21 0.00 6.66 -0.08 -0.90 -4.98 116.55 124.53 1zit n ASP 29 Ca 0.07 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.35 1zit n ASP 29 Cb 0.50 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.85 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 1.42 0.00 -2.51 5.18 -2.24 -1.26 -4.73 114.28 110.14 1zit n THR 30 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1zit n THR 30 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit n ALA 31 N 0.03 0.00 -0.03 6.98 0.00 0.10 -4.85 120.51 122.73 1zit n ALA 31 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1zit n ALA 31 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N -0.04 2.42 -2.57 0.00 5.02 -1.24 -3.36 118.16 118.40 1zit n LYS 32 Ca 0.00 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1zit n LYS 32 Cb 0.00 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1zit n LYS 32 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1zit n THR 33 N -2.34 0.00 -0.16 -0.18 -1.04 -1.26 -2.93 114.28 106.37 1zit n THR 33 Ca -0.11 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.05 61.37 1zit n THR 33 Cb 0.70 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.70 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1zit h LEU 34 N 0.00 0.64 0.20 -4.42 3.38 -1.96 0.34 115.31 113.49 1zit h LEU 34 Ca -0.17 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1zit h LEU 34 Cb 0.65 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1zit h LEU 34 CO 0.22 0.64 -0.22 -0.09 0.09 0.00 0.00 178.44 179.07 1zit h ARG 35 N 0.61 -0.45 0.00 1.13 2.43 -1.98 0.26 114.38 116.38 1zit h ARG 35 Ca 0.15 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1zit h ARG 35 Cb 0.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1zit h ARG 35 CO -0.01 -0.30 -0.20 0.93 -1.51 0.00 0.00 179.97 178.87 1zit h GLU 36 N -0.47 0.00 0.00 0.20 3.07 -1.93 -1.61 114.58 113.85 1zit h GLU 36 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1zit h GLU 36 Cb 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1zit h GLU 36 CO -0.07 0.20 -0.49 0.00 -1.40 0.00 0.00 179.01 177.25 1zit h ALA 37 N 1.80 1.05 -0.19 3.43 0.00 0.73 -1.87 119.26 124.21 1zit h ALA 37 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1zit h ALA 37 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1zit h ALA 37 CO 0.03 0.62 -0.39 0.93 0.00 0.00 0.00 179.25 180.43 1zit h GLU 38 N 0.00 0.60 -0.21 0.00 5.08 0.45 0.14 114.58 120.65 1zit h GLU 38 Ca -0.00 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 1zit h GLU 38 Cb 0.95 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1zit h GLU 38 CO 0.06 1.01 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.67 1zit h LYS 39 N 0.28 0.36 -0.01 2.33 3.11 -1.37 -0.04 116.57 121.21 1zit h LYS 39 Ca 0.01 -0.11 -0.22 0.00 -2.81 0.00 0.00 60.65 57.52 1zit h LYS 39 Cb 0.99 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1zit h LYS 39 CO 0.09 0.54 -0.90 0.87 -2.81 0.00 0.00 179.45 177.23 1zit h LYS 40 N 0.33 0.39 0.00 1.90 1.79 -1.22 -3.17 116.57 116.58 1zit h LYS 40 Ca 0.06 -0.40 -0.11 0.00 -2.18 0.00 0.00 60.65 58.02 1zit h LYS 40 Cb 0.52 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1zit h LYS 40 CO 0.03 1.07 -0.51 0.82 -1.08 0.00 0.00 179.45 179.78 1zit h ILE 41 N 0.22 1.01 0.00 1.86 2.04 -0.63 -2.91 117.51 119.10 1zit h ILE 41 Ca -0.07 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1zit h ILE 41 Cb 1.53 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1zit h ILE 41 CO 0.15 0.50 0.00 0.29 0.00 0.00 0.00 178.15 179.10 1zit n LYS 42 N -3.41 0.41 -0.12 2.37 5.02 -0.06 -3.79 118.16 118.58 1zit n LYS 42 Ca 0.01 0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 1zit n LYS 42 Cb 0.65 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1zit n GLU 43 N -1.27 0.55 -4.48 1.97 1.02 -1.11 -5.06 120.64 112.26 1zit n GLU 43 Ca 0.13 0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 57.20 1zit n GLU 43 Cb 0.21 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1zit n GLU 43 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1zit n LEU 44 N -4.22 0.00 -4.33 -4.62 -0.00 -1.13 -5.12 117.00 97.58 1zit n LEU 44 Ca -0.45 -3.11 -0.39 0.00 -0.00 0.00 0.00 56.01 52.06 1zit n LEU 44 Cb 0.80 0.27 -0.12 0.00 -0.00 0.00 0.00 43.42 44.37 1zit n LEU 44 CO 0.06 -0.48 -0.22 0.12 -0.00 0.00 0.00 177.39 176.87 1zit s PHE 45 N -2.80 3.23 -0.37 1.47 2.19 -1.26 -4.65 117.98 115.78 1zit s PHE 45 Ca 0.07 -1.14 -0.15 0.00 0.33 0.00 0.00 56.93 56.04 1zit s PHE 45 Cb -0.01 -2.34 0.00 0.00 -1.31 0.00 0.00 43.02 39.37 1zit s PHE 45 CO 0.04 -0.66 0.35 -0.06 1.83 0.00 0.00 175.22 176.72 1zit s PHE 46 N 1.49 3.21 -0.12 10.12 0.08 -1.26 -4.94 117.98 126.56 1zit s PHE 46 Ca 0.01 -0.25 0.30 0.00 0.12 0.00 0.00 56.93 57.11 1zit s PHE 46 Cb -0.19 -2.68 1.05 0.00 -0.57 0.00 0.00 43.02 40.63 1zit s PHE 46 CO 0.04 -0.52 1.86 -1.00 -0.10 0.00 0.00 175.22 175.51 1zit h PRO 47 N 8.57 0.00 -2.91 0.24 0.13 -1.85 -3.41 132.00 132.76 1zit h PRO 47 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.69 1zit h PRO 47 Cb 1.13 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.99 1zit h PRO 47 CO 0.72 0.00 -0.38 0.08 -0.23 0.00 0.00 178.00 178.18 1zit s VAL 48 N -3.50 -0.02 0.23 1.56 1.01 -1.26 0.62 120.40 119.05 1zit s VAL 48 Ca 0.03 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.19 1zit s VAL 48 Cb 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1zit s VAL 48 CO 0.57 0.03 -0.14 -0.63 0.00 0.00 0.00 175.10 174.93 1zit s ILE 49 N 0.83 2.86 -0.28 2.22 -1.09 0.20 0.21 121.20 126.15 1zit s ILE 49 Ca -0.05 -2.01 0.01 0.00 -2.23 0.00 0.00 60.65 56.37 1zit s ILE 49 Cb -0.06 -2.46 0.15 0.00 -1.58 0.00 0.00 42.46 38.51 1zit s ILE 49 CO -0.06 -0.25 0.39 -0.69 -1.23 0.00 0.00 174.94 173.10 1zit s VAL 50 N -2.06 -0.60 0.88 2.92 1.01 0.31 -2.54 120.40 120.33 1zit s VAL 50 Ca 0.27 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1zit s VAL 50 Cb -0.07 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.46 1zit s VAL 50 CO 0.15 -0.29 1.13 -0.22 0.00 0.00 0.00 175.10 175.87 1zit s LEU 51 N 2.52 2.17 0.00 3.92 2.96 -1.26 -0.65 118.68 128.34 1zit s LEU 51 Ca 0.10 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1zit s LEU 51 Cb -0.13 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1zit s LEU 51 CO -0.29 -2.39 0.00 -0.67 -1.32 0.00 0.00 176.35 171.68 1zit n ASP 52 N -3.67 0.69 -2.04 3.68 2.03 0.20 -2.12 116.55 115.31 1zit n ASP 52 Ca 0.07 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.24 1zit n ASP 52 Cb 0.58 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.02 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1zit n VAL 53 N -2.63 -1.42 0.00 5.18 0.31 -1.26 -3.94 118.33 114.56 1zit n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1zit n VAL 53 Cb 0.32 -2.68 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 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 -3.96 0.00 -2.70 3.52 -0.00 -1.26 -4.82 117.44 108.22 1zit n TRP 54 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.40 1zit n TRP 54 Cb 0.55 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.95 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 -0.38 1.25 -0.15 5.87 0.00 -1.26 -5.06 117.12 117.39 1zit n MET 55 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 57.70 55.38 1zit n MET 55 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 33.22 32.74 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1zit n PRO 56 N -0.57 2.16 -0.64 2.12 -0.04 -1.26 -4.99 135.00 131.78 1zit n PRO 56 Ca -0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1zit n PRO 56 Cb 0.84 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.50 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -0.59 1.68 0.00 3.54 9.92 -1.26 -4.92 116.55 124.92 1zit n ASP 57 Ca 0.00 -3.76 0.00 0.00 -0.53 0.00 0.00 54.79 50.50 1zit n ASP 57 Cb 0.00 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zit n GLY 58 N -1.02 0.03 3.56 0.44 0.00 -1.26 -4.99 105.19 101.94 1zit n GLY 58 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1zit n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zit n ASP 59 N 0.00 -3.33 -4.41 1.61 2.03 -1.26 -4.94 116.55 106.25 1zit n ASP 59 Ca 0.00 -0.81 -0.44 0.00 0.52 0.00 0.00 54.79 54.06 1zit n ASP 59 Cb 0.00 -4.34 -0.08 0.00 -0.72 0.00 0.00 41.12 35.98 1zit n ASP 59 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1zit s GLY 60 N -3.97 2.04 0.39 0.27 0.00 -1.26 -4.93 107.32 99.86 1zit s GLY 60 Ca 0.20 -1.99 0.09 0.00 0.00 0.00 0.00 44.72 43.01 1zit s GLY 60 CO 0.79 1.01 1.93 -2.08 0.00 0.00 0.00 173.10 174.76 1zit h VAL 61 N 5.72 1.17 0.00 1.40 2.07 -1.92 -1.24 116.25 123.45 1zit h VAL 61 Ca -0.28 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1zit h VAL 61 Cb 1.11 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1zit h VAL 61 CO 0.83 0.22 0.00 0.59 0.02 0.00 0.00 177.57 179.24 1zit n ASN 62 N -4.31 0.00 0.17 0.57 5.03 -1.26 -3.61 115.26 111.85 1zit n ASN 62 Ca -0.00 -0.43 0.06 0.00 0.87 0.00 0.00 54.58 55.08 1zit n ASN 62 Cb 0.24 -0.19 0.54 0.00 -1.02 0.00 0.00 39.78 39.35 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1zit h PHE 63 N 0.00 0.17 -1.04 3.10 3.57 -1.63 -2.49 116.94 118.61 1zit h PHE 63 Ca 0.00 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.80 1zit h PHE 63 Cb 0.19 -0.06 -0.13 0.00 2.79 0.00 0.00 35.95 38.74 1zit h PHE 63 CO 0.00 0.15 0.63 0.82 -2.23 0.00 0.00 178.31 177.68 1zit h ILE 64 N 0.18 0.41 0.29 1.41 1.08 -1.75 0.17 117.51 119.30 1zit h ILE 64 Ca 0.05 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1zit h ILE 64 Cb 0.05 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.78 1zit h ILE 64 CO -0.00 0.07 -0.14 -0.78 -0.69 0.00 0.00 178.15 176.61 1zit h ASP 65 N 0.40 -0.33 -0.90 1.72 3.58 -1.74 -2.24 116.42 116.91 1zit h ASP 65 Ca 0.68 -0.08 0.25 0.00 0.42 0.00 0.00 57.03 58.31 1zit h ASP 65 Cb 1.58 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.67 1zit h ASP 65 CO -0.47 -0.13 0.64 0.15 -2.88 0.00 0.00 179.24 176.55 1zit h PHE 66 N -0.52 0.08 0.26 0.28 3.04 -1.12 0.82 116.94 119.78 1zit h PHE 66 Ca -0.04 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1zit h PHE 66 Cb 0.39 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1zit h PHE 66 CO -0.02 0.02 -0.12 0.82 -2.02 0.00 0.00 178.31 176.98 1zit h ILE 67 N 0.06 0.80 0.00 1.41 1.08 -0.81 -2.58 117.51 117.46 1zit h ILE 67 Ca 0.43 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1zit h ILE 67 Cb 1.64 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 1zit h ILE 67 CO -0.03 0.10 0.00 0.11 -0.69 0.00 0.00 178.15 177.64 1zit h LYS 68 N -0.59 0.00 -0.33 2.37 1.57 -0.58 0.29 116.57 119.30 1zit h LYS 68 Ca -0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1zit h LYS 68 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1zit h LYS 68 CO 0.06 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.43 1zit h GLU 69 N 0.00 0.59 -0.20 3.15 4.81 0.77 -2.97 114.58 120.73 1zit h GLU 69 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1zit h GLU 69 Cb 0.68 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1zit h GLU 69 CO 0.00 0.71 0.00 0.09 -0.73 0.00 0.00 179.01 179.08 1zit n ASN 70 N -4.53 2.56 -2.75 1.04 3.02 -0.99 -4.77 115.26 108.84 1zit n ASN 70 Ca -0.02 -2.02 -0.09 0.00 -0.03 0.00 0.00 54.58 52.42 1zit n ASN 70 Cb 0.27 -0.14 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.08 -2.67 0.27 6.41 7.64 0.10 -4.86 113.62 120.58 1zit n SER 71 Ca 0.07 -3.44 0.17 0.00 1.01 0.00 0.00 58.87 56.68 1zit n SER 71 Cb 0.36 1.83 0.66 0.00 -1.01 0.00 0.00 64.21 66.05 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 3.66 0.00 -0.76 1.43 0.11 -1.67 -2.87 132.00 131.90 1zit h PRO 72 Ca -0.13 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.51 1zit h PRO 72 Cb 1.05 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.90 1zit h PRO 72 CO 0.27 0.00 0.25 -3.47 -0.21 0.00 0.00 178.00 174.83 1zit n ASP 73 N -3.03 4.72 0.00 -2.05 2.03 -1.26 -4.97 116.55 112.00 1zit n ASP 73 Ca 0.01 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.57 1zit n ASP 73 Cb 0.31 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 -1.00 1.42 -3.72 1.67 2.88 -1.08 -4.73 113.62 109.06 1zit n SER 74 Ca 0.50 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1zit n SER 74 Cb 1.06 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.42 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N 1.31 -0.01 -0.35 2.46 1.01 0.20 -4.84 120.40 120.19 1zit s VAL 75 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1zit s VAL 75 Cb 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1zit s VAL 75 CO 0.00 0.02 0.10 -0.69 0.00 0.00 0.00 175.10 174.53 1zit s VAL 76 N 0.72 3.34 -0.20 2.92 1.01 -1.26 0.61 120.40 127.54 1zit s VAL 76 Ca -0.04 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 1zit s VAL 76 Cb -0.05 -3.03 -0.20 0.00 0.00 0.00 0.00 36.38 33.10 1zit s VAL 76 CO -0.05 -0.31 0.27 0.40 0.00 0.00 0.00 175.10 175.41 1zit h ILE 77 N 6.34 0.97 -5.73 2.22 1.08 -1.87 0.93 117.51 121.45 1zit h ILE 77 Ca -0.19 -2.20 -0.13 0.00 -0.39 0.00 0.00 64.86 61.94 1zit h ILE 77 Cb 1.06 2.34 0.01 0.00 -3.07 0.00 0.00 36.82 37.16 1zit h ILE 77 CO 0.61 0.37 -0.80 0.52 -0.69 0.00 0.00 178.15 178.16 1zit n VAL 78 N -4.39 -8.46 -4.08 1.67 0.31 -1.26 -3.68 118.33 98.44 1zit n VAL 78 Ca -0.30 0.69 -0.26 0.00 -0.01 0.00 0.00 64.34 64.46 1zit n VAL 78 Cb 0.69 -5.87 -0.05 0.00 -0.91 0.00 0.00 33.84 27.69 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 -2.09 4.53 -0.16 2.52 1.01 -0.90 -4.41 121.20 121.70 1zit s ILE 79 Ca 0.26 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1zit s ILE 79 Cb -0.05 -3.32 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1zit s ILE 79 CO 0.77 -0.12 0.35 0.42 0.00 0.00 0.00 174.94 176.37 1zit s THR 80 N -1.76 -0.40 -0.76 2.92 -4.23 -1.25 -2.83 115.64 107.32 1zit s THR 80 Ca 0.31 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.81 1zit s THR 80 Cb -0.10 -0.56 0.12 0.00 1.34 0.00 0.00 72.50 73.29 1zit s THR 80 CO 0.24 0.08 0.94 -0.83 -0.54 0.00 0.00 174.62 174.50 1zit s GLY 81 N 2.20 1.82 0.00 3.99 0.00 -1.25 -4.38 107.32 109.70 1zit s GLY 81 Ca -0.03 -2.45 0.00 0.00 0.00 0.00 0.00 44.72 42.24 1zit s GLY 81 CO -0.11 1.83 0.00 1.57 0.00 0.00 0.00 173.10 176.39 1zit n HIS 82 N 6.52 -0.71 0.00 1.90 -0.00 -1.25 -4.94 115.22 116.73 1zit n HIS 82 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1zit n HIS 82 Cb 0.46 0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 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 -1.27 0.45 2.91 1.57 0.00 -1.26 -5.06 105.19 102.53 1zit n GLY 83 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1zit n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zit s SER 84 N 0.00 1.68 -0.10 1.61 1.04 -1.26 -5.00 113.70 111.67 1zit s SER 84 Ca 0.00 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.29 1zit s SER 84 Cb 0.00 -0.68 -0.12 0.00 0.10 0.00 0.00 66.02 65.32 1zit s SER 84 CO 0.00 -0.08 0.03 0.52 0.98 0.00 0.00 173.24 174.69 1zit n VAL 85 N 4.47 0.69 0.28 5.02 0.31 -1.26 -4.50 118.33 123.35 1zit n VAL 85 Ca -0.17 -0.42 0.13 0.00 -0.01 0.00 0.00 64.34 63.87 1zit n VAL 85 Cb 0.51 -0.74 0.85 0.00 -0.91 0.00 0.00 33.84 33.54 1zit n VAL 85 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1zit h ASP 86 N 0.00 0.00 0.52 4.52 3.32 -2.00 -0.14 116.42 122.64 1zit h ASP 86 Ca -0.27 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.58 1zit h ASP 86 Cb 1.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 1zit h ASP 86 CO 0.01 0.00 -0.85 0.00 -1.72 0.00 0.00 179.24 176.68 1zit h THR 87 N 0.00 1.47 0.94 0.35 1.03 -1.98 -2.68 112.91 112.04 1zit h THR 87 Ca 0.00 -2.52 -0.05 0.00 -0.01 0.00 0.00 66.41 63.84 1zit h THR 87 Cb 0.02 2.40 0.01 0.00 -1.07 0.00 0.00 68.15 69.51 1zit h THR 87 CO -0.00 0.74 -0.46 0.00 -0.01 0.00 0.00 175.52 175.79 1zit h ALA 88 N 0.96 -1.27 -0.02 0.00 0.00 -1.25 -1.83 119.26 115.85 1zit h ALA 88 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1zit h ALA 88 Cb 1.47 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1zit h ALA 88 CO 0.13 -1.21 0.06 -0.39 0.00 0.00 0.00 179.25 177.84 1zit h VAL 89 N -1.27 0.14 -0.00 0.00 -1.51 -1.56 0.31 116.25 112.36 1zit h VAL 89 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1zit h VAL 89 Cb 0.97 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1zit h VAL 89 CO 0.21 0.00 -0.19 1.17 -1.23 0.00 0.00 177.57 177.53 1zit n LYS 90 N -3.26 0.04 -0.01 5.19 4.81 -0.77 -3.27 118.16 120.89 1zit n LYS 90 Ca -0.02 -0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.39 1zit n LYS 90 Cb 0.14 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.68 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 -1.47 1.96 -0.01 3.14 0.00 0.51 -4.66 120.51 119.98 1zit n ALA 91 Ca 0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 1zit n ALA 91 Cb 0.33 0.31 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 1.30 -0.01 0.00 3.07 -0.70 -2.82 117.51 118.35 1zit h ILE 92 Ca -0.05 -1.97 0.00 0.00 1.55 0.00 0.00 64.86 64.39 1zit h ILE 92 Cb 1.09 1.95 -0.00 0.00 -0.27 0.00 0.00 36.82 39.60 1zit h ILE 92 CO -0.00 0.62 0.01 0.11 -1.05 0.00 0.00 178.15 177.84 1zit h LYS 93 N 0.49 0.00 0.05 0.16 1.57 -1.76 -2.87 116.57 114.21 1zit h LYS 93 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1zit h LYS 93 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1zit h LYS 93 CO 0.14 0.00 -0.03 0.87 -0.57 0.00 0.00 179.45 179.87 1zit h LYS 94 N 0.00 -0.07 0.00 3.15 1.79 -1.79 -3.47 116.57 116.18 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1zit h LYS 94 Cb 0.03 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 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 1.51 0.00 0.00 3.86 0.00 -1.09 -5.05 105.19 104.41 1zit n GLY 95 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -1.20 4.61 0.00 -1.08 -4.61 120.51 118.24 1zit n ALA 96 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1zit n ALA 96 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.64 1.51 -0.88 0.00 9.36 0.32 -4.78 117.16 122.05 1zit n TYR 97 Ca 0.00 -1.30 0.00 0.00 3.32 0.00 0.00 57.90 59.92 1zit n TYR 97 Cb 0.00 -0.52 0.00 0.00 -0.63 0.00 0.00 39.34 38.19 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 -0.72 0.00 -1.36 2.98 0.28 -1.26 -4.89 120.64 115.66 1zit n GLU 98 Ca 0.33 0.35 0.16 0.00 -0.16 0.00 0.00 57.16 57.85 1zit n GLU 98 Cb 1.12 -3.32 -0.07 0.00 1.43 0.00 0.00 31.44 30.59 1zit n GLU 98 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1zit n PHE 99 N -2.88 -3.44 -4.34 -1.84 3.01 -1.24 -4.86 117.46 101.87 1zit n PHE 99 Ca 0.00 1.84 -0.33 0.00 1.01 0.00 0.00 57.45 59.98 1zit n PHE 99 Cb 0.00 -3.13 -0.16 0.00 -0.01 0.00 0.00 39.48 36.18 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 -6.90 2.16 0.00 4.37 1.98 -1.26 -5.04 118.68 113.99 1zit s LEU 100 Ca 0.00 -0.62 -0.01 0.00 -2.89 0.00 0.00 54.13 50.61 1zit s LEU 100 Cb 0.00 -1.48 0.02 0.00 0.66 0.00 0.00 46.19 45.39 1zit s LEU 100 CO 0.00 0.03 0.08 -0.62 -1.89 0.00 0.00 176.35 173.95 1zit n GLU 101 N 4.39 -1.07 -2.64 1.98 4.71 -1.26 -4.66 120.64 122.09 1zit n GLU 101 Ca -0.20 -0.13 -0.07 0.00 -0.01 0.00 0.00 57.16 56.75 1zit n GLU 101 Cb 0.51 -0.11 0.01 0.00 -1.01 0.00 0.00 31.44 30.83 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1zit n LYS 102 N -1.69 -2.07 0.00 3.49 4.76 -1.26 -4.87 118.16 116.51 1zit n LYS 102 Ca 0.01 1.91 0.10 0.00 -2.87 0.00 0.00 58.31 57.46 1zit n LYS 102 Cb 0.04 -5.05 0.53 0.00 -1.84 0.00 0.00 35.03 28.71 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1zit n PRO 103 N -0.29 0.44 0.06 1.97 -0.04 -1.26 -3.55 135.00 132.32 1zit n PRO 103 Ca 0.10 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1zit n PRO 103 Cb 0.38 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 1zit n PRO 103 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1zit h PHE 104 N 0.00 -0.24 -4.26 0.54 3.04 -1.90 -3.34 116.94 110.78 1zit h PHE 104 Ca 0.00 -0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1zit h PHE 104 Cb 0.09 0.08 -0.13 0.00 2.56 0.00 0.00 35.95 38.54 1zit h PHE 104 CO 0.00 0.07 -0.48 -1.12 -2.02 0.00 0.00 178.31 174.76 1zit s SER 105 N -5.37 0.12 0.00 0.41 0.01 -1.23 -4.99 113.70 102.64 1zit s SER 105 Ca -0.09 -1.18 0.22 0.00 1.31 0.00 0.00 55.95 56.22 1zit s SER 105 Cb 0.00 0.41 0.73 0.00 0.21 0.00 0.00 66.02 67.38 1zit s SER 105 CO 0.31 -0.88 1.55 1.33 0.41 0.00 0.00 173.24 175.95 1zit n VAL 106 N -0.25 0.21 -0.33 3.43 0.24 -1.26 -4.41 118.33 115.96 1zit n VAL 106 Ca -0.02 -0.39 0.18 0.00 -2.04 0.00 0.00 64.34 62.08 1zit n VAL 106 Cb 0.64 0.50 0.35 0.00 -1.47 0.00 0.00 33.84 33.87 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 2.59 0.05 -0.23 7.34 4.81 -1.93 1.54 114.58 128.75 1zit h GLU 107 Ca 0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1zit h GLU 107 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1zit h GLU 107 CO 0.00 0.03 -0.44 -0.09 -0.73 0.00 0.00 179.01 177.78 1zit h ARG 108 N 0.05 0.57 -0.15 1.92 2.43 -1.93 -2.56 114.38 114.71 1zit h ARG 108 Ca 0.64 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 1zit h ARG 108 Cb 1.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1zit h ARG 108 CO -0.83 0.90 0.22 0.35 -1.51 0.00 0.00 179.97 179.11 1zit h PHE 109 N 0.46 0.00 -0.07 2.20 3.57 0.19 -1.81 116.94 121.48 1zit h PHE 109 Ca 0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1zit h PHE 109 Cb 0.96 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1zit h PHE 109 CO 0.04 0.00 0.03 1.25 -2.23 0.00 0.00 178.31 177.40 1zit h LEU 110 N 0.00 0.09 0.52 0.59 6.46 -0.86 -1.47 115.31 120.64 1zit h LEU 110 Ca 0.07 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1zit h LEU 110 Cb 0.52 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1zit h LEU 110 CO -0.00 0.18 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.53 1zit h LEU 111 N -0.00 -1.04 -0.74 2.25 4.07 -1.47 -2.84 115.31 115.55 1zit h LEU 111 Ca 0.02 0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.16 1zit h LEU 111 Cb 0.11 0.33 -0.07 0.00 1.08 0.00 0.00 40.66 42.10 1zit h LEU 111 CO -0.00 -0.58 0.38 0.74 -1.08 0.00 0.00 178.44 177.89 1zit h THR 112 N -0.90 0.84 -0.87 0.22 2.02 -1.58 -2.76 112.91 109.88 1zit h THR 112 Ca -0.06 -0.22 0.14 0.00 0.77 0.00 0.00 66.41 67.05 1zit h THR 112 Cb 0.76 0.16 -0.15 0.00 -1.74 0.00 0.00 68.15 67.18 1zit h THR 112 CO 0.01 0.11 -0.37 0.40 0.37 0.00 0.00 175.52 176.05 1zit h ILE 113 N 0.63 0.05 -0.05 3.11 1.08 -1.01 0.42 117.51 121.74 1zit h ILE 113 Ca 0.37 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.86 1zit h ILE 113 Cb 0.39 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1zit h ILE 113 CO -0.28 0.00 -0.40 0.50 -0.69 0.00 0.00 178.15 177.28 1zit h LYS 114 N -0.05 -0.45 -0.20 2.37 3.11 -1.47 0.27 116.57 120.15 1zit h LYS 114 Ca 0.31 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.24 1zit h LYS 114 Cb 0.58 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 1zit h LYS 114 CO -0.90 -0.30 0.25 0.45 -2.81 0.00 0.00 179.45 176.14 1zit h HIS 115 N -0.47 0.00 -0.41 1.91 3.86 -1.26 -0.10 115.15 118.68 1zit h HIS 115 Ca 0.02 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1zit h HIS 115 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1zit h HIS 115 CO -0.51 0.00 -0.20 0.00 0.86 0.00 0.00 177.93 178.08 1zit h ALA 116 N 1.69 0.88 0.00 2.45 0.00 0.33 1.17 119.26 125.78 1zit h ALA 116 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1zit h ALA 116 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 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 0.70 0.00 0.00 0.00 -1.00 0.02 -3.23 116.94 113.42 1zit h PHE 117 Ca 0.10 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.73 1zit h PHE 117 Cb 0.71 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.24 1zit h PHE 117 CO 0.04 0.00 -1.66 0.39 -1.61 0.00 0.00 178.31 175.47 1zit n GLU 118 N -2.70 1.88 0.00 1.51 1.02 -1.05 -4.44 120.64 116.87 1zit n GLU 118 Ca 0.03 -0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1zit n GLU 118 Cb 0.39 -1.26 0.63 0.00 -0.02 0.00 0.00 31.44 31.17 1zit n GLU 118 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1zit n GLU 119 N -2.27 0.42 -2.27 3.49 -0.58 0.40 -3.22 120.64 116.61 1zit n GLU 119 Ca -0.13 0.05 -0.07 0.00 -0.42 0.00 0.00 57.16 56.58 1zit n GLU 119 Cb 0.71 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 30.13 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 -1.23 1.54 1.12 -0.32 4.19 -1.22 -5.04 117.16 116.19 1zit n TYR 120 Ca 0.13 -1.95 0.09 0.00 3.31 0.00 0.00 57.90 59.48 1zit n TYR 120 Cb 0.17 -0.26 0.53 0.00 0.49 0.00 0.00 39.34 40.27 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64