#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit n LYS 2 N 0.00 -4.36 -3.30 0.03 4.01 -1.26 -4.41 118.16 108.87 1zit n LYS 2 Ca 0.00 3.31 -0.19 0.00 -0.51 0.00 0.00 58.31 60.92 1zit n LYS 2 Cb 0.00 -4.91 -0.08 0.00 -0.51 0.00 0.00 35.03 29.53 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1zit s ARG 3 N -0.74 0.77 0.33 1.97 3.00 -1.26 0.95 118.95 123.98 1zit s ARG 3 Ca -0.27 -1.32 -0.22 0.00 0.00 0.00 0.00 55.73 53.92 1zit s ARG 3 Cb 0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 34.95 33.97 1zit s ARG 3 CO 0.76 -1.28 0.88 0.08 0.00 0.00 0.00 175.30 175.75 1zit s VAL 4 N 0.90 4.38 -0.09 3.52 1.01 -1.19 -4.05 120.40 124.88 1zit s VAL 4 Ca 0.24 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 1zit s VAL 4 Cb -0.08 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1zit s VAL 4 CO -0.07 0.00 0.00 -0.22 0.00 0.00 0.00 175.10 174.81 1zit s LEU 5 N -2.42 3.57 0.06 3.92 2.96 0.17 -2.16 118.68 124.77 1zit s LEU 5 Ca 0.52 0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1zit s LEU 5 Cb -0.15 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1zit s LEU 5 CO 0.20 0.37 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.71 1zit s VAL 6 N -0.86 2.62 -0.09 1.68 1.01 0.46 -0.21 120.40 125.01 1zit s VAL 6 Ca 0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1zit s VAL 6 Cb -0.11 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1zit s VAL 6 CO 0.02 0.30 -0.03 -0.69 0.00 0.00 0.00 175.10 174.69 1zit s VAL 7 N -0.93 0.66 -0.06 2.92 1.01 -0.39 -0.09 120.40 123.52 1zit s VAL 7 Ca 0.14 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 1zit s VAL 7 Cb -0.10 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.59 1zit s VAL 7 CO 0.05 0.30 0.57 -0.62 0.00 0.00 0.00 175.10 175.40 1zit s ASP 8 N 1.76 -0.53 -0.16 3.32 2.15 -1.22 0.18 116.67 122.18 1zit s ASP 8 Ca 0.03 0.61 -0.05 0.00 0.43 0.00 0.00 52.55 53.57 1zit s ASP 8 Cb -0.13 0.57 -0.14 0.00 -0.30 0.00 0.00 42.92 42.92 1zit s ASP 8 CO -0.06 -0.51 3.24 -0.67 -0.17 0.00 0.00 175.17 177.00 1zit n ASP 9 N 1.25 5.68 -1.08 -0.34 2.03 -1.05 -3.61 116.55 119.44 1zit n ASP 9 Ca -0.19 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.39 1zit n ASP 9 Cb 0.57 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 1.86 1.16 -4.70 -0.67 2.13 -1.26 -4.77 120.64 114.40 1zit n GLU 10 Ca 0.43 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.92 1zit n GLU 10 Cb 0.77 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.35 1zit n GLU 10 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1zit s GLU 11 N -1.22 3.27 0.52 5.31 -1.05 -1.26 -4.77 118.70 119.49 1zit s GLU 11 Ca 0.00 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1zit s GLU 11 Cb 0.00 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.04 1zit s GLU 11 CO 0.00 0.32 0.00 -1.13 0.95 0.00 0.00 175.26 175.40 1zit n SER 12 N 3.23 -7.62 -2.29 0.83 3.41 -1.26 -4.84 113.62 105.08 1zit n SER 12 Ca -0.18 1.17 -0.21 0.00 -0.26 0.00 0.00 58.87 59.40 1zit n SER 12 Cb 0.53 -4.63 0.02 0.00 -0.26 0.00 0.00 64.21 59.87 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1zit n ILE 13 N -4.21 0.00 -2.99 -1.33 2.08 -1.26 -4.85 119.36 106.81 1zit n ILE 13 Ca -0.06 -0.28 -0.41 0.00 0.56 0.00 0.00 62.75 62.56 1zit n ILE 13 Cb 0.65 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.50 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -1.13 4.95 0.09 1.39 -4.23 -1.26 -4.97 115.64 110.47 1zit s THR 14 Ca 0.24 1.45 -0.35 0.00 -1.18 0.00 0.00 61.69 61.86 1zit s THR 14 Cb -0.13 -4.06 -0.18 0.00 1.34 0.00 0.00 72.50 69.47 1zit s THR 14 CO 0.45 0.08 0.90 -1.20 -0.54 0.00 0.00 174.62 174.32 1zit n SER 15 N 5.00 -0.26 0.00 3.99 7.64 -1.26 -0.17 113.62 128.56 1zit n SER 15 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1zit n SER 15 Cb 0.49 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1zit n SER 15 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1zit n SER 16 N 1.74 0.00 -0.09 6.43 2.88 -1.26 -4.71 113.62 118.60 1zit n SER 16 Ca 0.19 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.57 1zit n SER 16 Cb 0.16 -0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 1zit n SER 16 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1zit n LEU 17 N 0.00 1.84 -0.07 2.46 -0.00 0.76 -3.56 117.00 118.43 1zit n LEU 17 Ca 0.00 0.50 -0.07 0.00 -0.00 0.00 0.00 56.01 56.44 1zit n LEU 17 Cb 0.00 -0.93 -0.01 0.00 -0.00 0.00 0.00 43.42 42.49 1zit n LEU 17 CO 0.00 -0.01 0.72 -1.28 -0.00 0.00 0.00 177.39 176.82 1zit h SER 18 N -1.00 -0.65 -0.93 1.96 0.87 -1.88 -0.61 113.55 111.31 1zit h SER 18 Ca -0.22 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1zit h SER 18 Cb 1.00 0.33 -0.06 0.00 -0.44 0.00 0.00 62.40 63.23 1zit h SER 18 CO -0.13 -0.23 0.59 0.00 -0.53 0.00 0.00 176.83 176.52 1zit h ALA 19 N 0.99 1.27 0.35 6.23 0.00 -1.90 -0.23 119.26 125.96 1zit h ALA 19 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1zit h ALA 19 Cb 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1zit h ALA 19 CO -0.40 0.38 -0.17 0.82 0.00 0.00 0.00 179.25 179.89 1zit h ILE 20 N 1.09 0.00 -0.94 0.00 2.04 -1.26 -0.25 117.51 118.18 1zit h ILE 20 Ca 0.39 -0.01 0.23 0.00 1.00 0.00 0.00 64.86 66.48 1zit h ILE 20 Cb 0.13 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 1zit h ILE 20 CO -0.16 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.55 1zit h LEU 21 N -0.47 0.32 -1.31 1.44 3.38 -1.11 0.93 115.31 118.49 1zit h LEU 21 Ca -0.05 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1zit h LEU 21 Cb 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1zit h LEU 21 CO 0.08 0.11 -0.29 -0.33 0.09 0.00 0.00 178.44 178.09 1zit h GLU 22 N 0.31 0.00 0.12 1.13 5.08 -0.81 0.44 114.58 120.86 1zit h GLU 22 Ca 0.49 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.57 1zit h GLU 22 Cb 1.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1zit h GLU 22 CO -0.16 0.29 -1.35 1.49 -1.00 0.00 0.00 179.01 178.28 1zit h GLU 23 N 0.00 0.26 0.00 2.33 4.81 0.27 -3.31 114.58 118.94 1zit h GLU 23 Ca -0.00 -0.44 -0.18 0.00 -0.13 0.00 0.00 59.36 58.61 1zit h GLU 23 Cb 0.66 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1zit h GLU 23 CO 0.04 1.17 -0.89 0.93 -0.73 0.00 0.00 179.01 179.53 1zit h GLU 24 N 0.07 0.00 -1.05 1.92 4.39 -0.84 -3.49 114.58 115.59 1zit h GLU 24 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1zit h GLU 24 Cb 1.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1zit h GLU 24 CO 0.19 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 179.19 1zit n GLY 25 N 1.32 0.91 2.33 -3.84 0.00 0.14 -5.08 105.19 100.96 1zit n GLY 25 Ca -0.01 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.52 0.70 -3.74 1.61 4.02 -0.29 -4.87 117.16 114.07 1zit n TYR 26 Ca 0.00 -1.62 -0.28 0.00 -0.01 0.00 0.00 57.90 55.99 1zit n TYR 26 Cb 0.17 -0.20 -0.11 0.00 -0.02 0.00 0.00 39.34 39.18 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1zit n HIS 27 N -0.80 2.11 -3.04 -0.72 -0.00 0.27 -4.79 115.22 108.26 1zit n HIS 27 Ca -0.13 -4.03 -0.35 0.00 0.46 0.00 0.00 57.72 53.67 1zit n HIS 27 Cb 0.41 -0.38 -0.06 0.00 -0.12 0.00 0.00 29.99 29.84 1zit n HIS 27 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1zit s PRO 28 N -1.10 4.21 -0.01 1.57 0.04 -1.26 -3.14 135.00 135.31 1zit s PRO 28 Ca 0.28 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1zit s PRO 28 Cb -0.01 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1zit s PRO 28 CO -0.17 0.26 0.00 0.34 0.04 0.00 0.00 177.00 177.47 1zit s ASP 29 N -1.90 0.15 -0.06 6.66 2.15 -0.92 -4.98 116.67 117.76 1zit s ASP 29 Ca 0.50 -0.00 0.05 0.00 0.43 0.00 0.00 52.55 53.52 1zit s ASP 29 Cb -0.14 -0.06 -0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1zit s ASP 29 CO 0.19 -0.05 -0.21 0.42 -0.17 0.00 0.00 175.17 175.35 1zit s THR 30 N 0.49 1.79 0.00 1.71 -4.23 -1.26 0.17 115.64 114.31 1zit s THR 30 Ca -0.04 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1zit s THR 30 Cb -0.06 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1zit s THR 30 CO -0.01 0.50 0.00 0.00 -0.54 0.00 0.00 174.62 174.57 1zit n ALA 31 N 3.20 0.00 -0.04 3.99 0.00 0.87 -4.84 120.51 123.69 1zit n ALA 31 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1zit n ALA 31 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.26 2.49 -2.50 0.00 5.02 -1.24 -3.40 118.16 118.27 1zit n LYS 32 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.26 1zit n LYS 32 Cb 0.00 -1.19 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.33 0.00 -0.23 -0.18 -1.04 -1.26 -2.52 114.28 106.71 1zit n THR 33 Ca -0.13 -0.43 -0.08 0.00 -2.04 0.00 0.00 64.05 61.37 1zit n THR 33 Cb 0.73 0.47 0.04 0.00 -1.82 0.00 0.00 70.33 69.75 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 0.97 -0.36 -4.42 3.38 -1.97 0.16 115.31 113.07 1zit h LEU 34 Ca -0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1zit h LEU 34 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1zit h LEU 34 CO 0.21 0.94 0.20 0.03 0.09 0.00 0.00 178.44 179.91 1zit h ARG 35 N 0.95 0.50 -0.56 1.13 3.08 -1.98 0.13 114.38 117.63 1zit h ARG 35 Ca 0.21 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 1zit h ARG 35 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1zit h ARG 35 CO -0.00 0.41 0.02 0.93 -1.07 0.00 0.00 179.97 180.25 1zit h GLU 36 N 0.47 0.95 0.52 0.04 3.07 -1.89 -2.64 114.58 115.10 1zit h GLU 36 Ca 0.13 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 1zit h GLU 36 Cb 0.05 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1zit h GLU 36 CO -0.02 0.93 -0.25 0.00 -1.40 0.00 0.00 179.01 178.27 1zit h ALA 37 N 1.13 -0.69 -0.95 3.43 0.00 -0.24 -2.48 119.26 119.46 1zit h ALA 37 Ca 0.17 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.14 1zit h ALA 37 Cb 0.49 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 1zit h ALA 37 CO 0.02 -0.81 0.48 0.93 0.00 0.00 0.00 179.25 179.88 1zit h GLU 38 N -0.86 0.42 -0.71 0.00 5.08 -0.72 1.01 114.58 118.80 1zit h GLU 38 Ca -0.07 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1zit h GLU 38 Cb 0.60 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1zit h GLU 38 CO 0.12 0.28 0.46 -0.22 -1.00 0.00 0.00 179.01 178.64 1zit h LYS 39 N 0.43 0.91 -0.10 2.33 3.11 -1.27 0.87 116.57 122.85 1zit h LYS 39 Ca 0.62 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 58.28 1zit h LYS 39 Cb 1.25 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1zit h LYS 39 CO -0.54 0.60 -0.45 0.87 -2.81 0.00 0.00 179.45 177.12 1zit h LYS 40 N 0.94 0.49 0.00 1.90 1.79 0.53 -3.14 116.57 119.08 1zit h LYS 40 Ca 0.26 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1zit h LYS 40 Cb -0.09 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1zit h LYS 40 CO -0.07 1.02 0.00 0.82 -1.08 0.00 0.00 179.45 180.14 1zit h ILE 41 N 0.07 0.00 -0.21 1.86 2.04 0.10 -1.95 117.51 119.43 1zit h ILE 41 Ca -0.03 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1zit h ILE 41 Cb 1.10 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1zit h ILE 41 CO 0.09 0.00 0.34 0.50 0.00 0.00 0.00 178.15 179.08 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.11 0.82 -3.31 116.57 119.56 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1zit h LYS 42 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1zit h LYS 42 CO 0.00 0.00 -0.48 0.39 -2.81 0.00 0.00 179.45 176.55 1zit n GLU 43 N -3.43 0.00 -1.72 1.90 1.02 -1.15 -5.04 120.64 112.22 1zit n GLU 43 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1zit n GLU 43 Cb 0.45 -0.32 -0.03 0.00 -0.02 0.00 0.00 31.44 31.52 1zit n GLU 43 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zit s LEU 44 N -5.98 4.41 -1.28 -4.62 2.01 -0.74 -4.87 118.68 107.61 1zit s LEU 44 Ca 0.00 2.66 -0.08 0.00 0.01 0.00 0.00 54.13 56.72 1zit s LEU 44 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 46.19 42.63 1zit s LEU 44 CO 0.00 -1.03 2.82 0.33 1.01 0.00 0.00 176.35 179.48 1zit n PHE 45 N 6.93 2.19 -1.68 0.29 7.35 -1.26 -4.50 117.46 126.78 1zit n PHE 45 Ca 0.19 -2.77 -0.45 0.00 -0.76 0.00 0.00 57.45 53.67 1zit n PHE 45 Cb 0.40 -2.10 -0.04 0.00 0.35 0.00 0.00 39.48 38.09 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 2.64 2.47 0.09 -5.13 3.72 -1.26 -4.88 117.46 115.10 1zit n PHE 46 Ca 0.68 -0.09 -0.05 0.00 -0.05 0.00 0.00 57.45 57.94 1zit n PHE 46 Cb 0.33 -2.70 0.12 0.00 -0.94 0.00 0.00 39.48 36.29 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 8.78 0.22 -5.38 -1.08 0.13 -1.89 -3.44 132.00 129.35 1zit h PRO 47 Ca -0.48 -0.15 -0.51 0.00 -0.87 0.00 0.00 66.00 64.00 1zit h PRO 47 Cb 1.25 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 32.10 1zit h PRO 47 CO 0.94 0.76 -0.82 0.08 -0.23 0.00 0.00 178.00 178.73 1zit s VAL 48 N -3.75 1.20 -0.19 1.56 1.01 -1.26 0.11 120.40 119.08 1zit s VAL 48 Ca -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1zit s VAL 48 Cb 0.12 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.57 1zit s VAL 48 CO 0.80 0.34 0.09 -0.63 0.00 0.00 0.00 175.10 175.70 1zit s ILE 49 N -0.31 -0.06 -0.14 2.22 -1.09 0.18 0.42 121.20 122.41 1zit s ILE 49 Ca 0.05 -0.28 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1zit s ILE 49 Cb -0.06 -0.66 -0.04 0.00 -1.58 0.00 0.00 42.46 40.12 1zit s ILE 49 CO -0.00 -0.35 0.03 -0.69 -1.23 0.00 0.00 174.94 172.69 1zit s VAL 50 N 2.12 4.51 -0.14 2.92 1.01 0.70 -2.46 120.40 129.07 1zit s VAL 50 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1zit s VAL 50 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1zit s VAL 50 CO -0.14 0.52 0.10 -0.22 0.00 0.00 0.00 175.10 175.37 1zit s LEU 51 N -0.11 4.10 -0.75 3.92 2.96 -1.26 -1.26 118.68 126.28 1zit s LEU 51 Ca 0.05 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1zit s LEU 51 Cb -0.12 -2.01 0.18 0.00 0.50 0.00 0.00 46.19 44.74 1zit s LEU 51 CO 0.02 0.32 0.57 -0.62 -1.32 0.00 0.00 176.35 175.31 1zit s ASP 52 N -0.51 5.17 -1.09 3.68 2.15 0.48 0.11 116.67 126.67 1zit s ASP 52 Ca 0.11 -3.73 -0.27 0.00 0.43 0.00 0.00 52.55 49.09 1zit s ASP 52 Cb -0.12 -1.73 -0.23 0.00 -0.30 0.00 0.00 42.92 40.55 1zit s ASP 52 CO 0.02 -0.13 2.12 0.54 -0.17 0.00 0.00 175.17 177.55 1zit s VAL 53 N -1.31 3.03 0.00 1.11 0.11 -1.25 -4.31 120.40 117.78 1zit s VAL 53 Ca 0.25 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 1zit s VAL 53 Cb -0.07 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1zit s VAL 53 CO -0.14 -0.06 0.00 1.87 -3.33 0.00 0.00 175.10 173.44 1zit n TRP 54 N 19.75 0.00 -2.69 1.54 -0.00 -1.26 -3.73 117.44 131.05 1zit n TRP 54 Ca 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.83 1zit n TRP 54 Cb 0.47 -0.07 0.06 0.00 -0.00 0.00 0.00 31.31 31.76 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 -1.01 1.15 0.00 5.87 2.81 -1.26 -4.96 117.12 119.72 1zit n MET 55 Ca 0.00 -2.78 0.00 0.00 -1.81 0.00 0.00 57.70 53.11 1zit n MET 55 Cb 0.00 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1zit n PRO 56 N -0.22 2.41 -2.88 0.03 -0.05 -1.26 -4.92 135.00 128.10 1zit n PRO 56 Ca 0.05 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.38 1zit n PRO 56 Cb 0.82 0.00 0.04 0.00 -0.05 0.00 0.00 33.50 34.31 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 -1.50 -3.85 3.54 2.03 -1.26 -5.13 116.55 110.38 1zit n ASP 57 Ca 0.00 -3.38 -0.09 0.00 0.52 0.00 0.00 54.79 51.84 1zit n ASP 57 Cb 0.00 1.10 -0.06 0.00 -0.72 0.00 0.00 41.12 41.44 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 -1.61 0.17 -0.32 0.27 0.00 -1.26 -5.10 107.32 99.48 1zit s GLY 58 Ca 0.29 -0.59 -0.25 0.00 0.00 0.00 0.00 44.72 44.18 1zit s GLY 58 CO -0.10 -0.67 0.86 0.99 0.00 0.00 0.00 173.10 174.18 1zit s ASP 59 N -2.90 6.71 0.05 1.64 1.01 -1.26 -4.91 116.67 117.01 1zit s ASP 59 Ca 0.10 0.71 0.16 0.00 0.71 0.00 0.00 52.55 54.23 1zit s ASP 59 Cb 0.03 -2.44 -0.14 0.00 1.01 0.00 0.00 42.92 41.38 1zit s ASP 59 CO -0.06 -0.70 0.83 1.23 0.21 0.00 0.00 175.17 176.69 1zit h GLY 60 N 9.66 0.00 1.03 0.21 0.00 -2.00 -3.28 103.07 108.69 1zit h GLY 60 Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1zit h GLY 60 CO 0.93 0.00 0.27 -2.08 0.00 0.00 0.00 176.54 175.66 1zit h VAL 61 N 0.00 1.25 0.00 4.60 2.07 -1.91 -2.63 116.25 119.63 1zit h VAL 61 Ca -0.18 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 1zit h VAL 61 Cb 1.66 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1zit h VAL 61 CO 0.05 0.31 -0.54 -1.13 0.02 0.00 0.00 177.57 176.29 1zit h ASN 62 N 1.00 0.00 -0.55 0.57 -0.00 -1.95 -3.19 115.58 111.46 1zit h ASN 62 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.52 1zit h ASN 62 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.52 1zit h ASN 62 CO -0.02 0.54 0.31 0.15 -0.00 0.00 0.00 177.43 178.42 1zit h PHE 63 N 0.00 0.75 -1.41 0.67 3.57 -1.52 -2.34 116.94 116.66 1zit h PHE 63 Ca -0.01 -0.01 0.41 0.00 3.53 0.00 0.00 57.97 61.90 1zit h PHE 63 Cb 1.20 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 1zit h PHE 63 CO 0.00 0.53 1.02 0.82 -2.23 0.00 0.00 178.31 178.45 1zit h ILE 64 N 0.78 0.29 0.16 1.41 5.03 -1.52 0.67 117.51 124.32 1zit h ILE 64 Ca 0.20 0.00 -0.30 0.00 -0.12 0.00 0.00 64.86 64.64 1zit h ILE 64 Cb 0.01 0.29 0.03 0.00 -3.03 0.00 0.00 36.82 34.12 1zit h ILE 64 CO -0.03 0.00 -1.30 -0.78 -0.68 0.00 0.00 178.15 175.35 1zit h ASP 65 N 0.00 0.76 -0.87 1.72 1.82 -1.64 -3.22 116.42 114.99 1zit h ASP 65 Ca 0.67 -0.75 0.07 0.00 -0.39 0.00 0.00 57.03 56.63 1zit h ASP 65 Cb 2.70 -0.24 -0.06 0.00 0.68 0.00 0.00 39.33 42.40 1zit h ASP 65 CO -0.01 1.57 0.54 0.15 -1.61 0.00 0.00 179.24 179.88 1zit h PHE 66 N 0.20 0.99 -0.41 0.28 3.04 0.25 0.79 116.94 122.07 1zit h PHE 66 Ca -0.19 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.80 1zit h PHE 66 Cb 1.99 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 40.15 1zit h PHE 66 CO 0.11 0.49 0.24 0.82 -2.02 0.00 0.00 178.31 177.94 1zit h ILE 67 N 0.96 1.04 0.00 1.41 5.03 -1.49 -1.63 117.51 122.83 1zit h ILE 67 Ca 0.39 -0.17 -0.08 0.00 -0.12 0.00 0.00 64.86 64.88 1zit h ILE 67 Cb 0.20 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 34.50 1zit h ILE 67 CO -0.18 0.09 -0.38 0.11 -0.68 0.00 0.00 178.15 177.10 1zit h LYS 68 N 0.48 0.00 -0.49 2.37 1.79 -1.34 0.80 116.57 120.18 1zit h LYS 68 Ca 0.16 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 1zit h LYS 68 Cb 0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1zit h LYS 68 CO -0.08 0.38 0.17 1.49 -1.08 0.00 0.00 179.45 180.34 1zit h GLU 69 N 0.00 0.75 -0.04 3.15 4.81 0.14 -3.02 114.58 120.37 1zit h GLU 69 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1zit h GLU 69 Cb 1.06 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1zit h GLU 69 CO 0.05 0.69 0.00 0.09 -0.73 0.00 0.00 179.01 179.11 1zit n ASN 70 N -4.53 2.41 -2.71 1.04 3.02 -0.70 -4.81 115.26 108.98 1zit n ASN 70 Ca 0.01 -2.75 -0.07 0.00 -0.03 0.00 0.00 54.58 51.75 1zit n ASN 70 Cb 0.18 -0.32 0.06 0.00 -0.61 0.00 0.00 39.78 39.09 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1zit n SER 71 N -1.03 -2.22 0.27 6.41 7.64 0.28 -4.95 113.62 120.01 1zit n SER 71 Ca 0.12 -2.69 0.17 0.00 1.01 0.00 0.00 58.87 57.49 1zit n SER 71 Cb 0.55 1.38 0.73 0.00 -1.01 0.00 0.00 64.21 65.86 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 3.59 0.00 -0.69 1.43 0.11 -1.63 -2.57 132.00 132.23 1zit h PRO 72 Ca -0.19 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.60 1zit h PRO 72 Cb 1.11 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.02 1zit h PRO 72 CO 0.11 0.00 0.31 -3.47 -0.21 0.00 0.00 178.00 174.74 1zit n ASP 73 N -2.97 3.54 -4.89 -2.05 -0.08 -1.26 -4.98 116.55 103.85 1zit n ASP 73 Ca 0.00 -3.56 -0.28 0.00 -1.51 0.00 0.00 54.79 49.44 1zit n ASP 73 Cb 0.26 -0.74 -0.01 0.00 2.34 0.00 0.00 41.12 42.97 1zit n ASP 73 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1zit s SER 74 N -1.70 4.52 0.05 1.67 0.15 -0.97 -4.85 113.70 112.58 1zit s SER 74 Ca 0.52 -1.38 0.06 0.00 0.70 0.00 0.00 55.95 55.85 1zit s SER 74 Cb 0.44 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1zit s SER 74 CO 0.08 -1.14 -0.18 -0.69 1.20 0.00 0.00 173.24 172.51 1zit s VAL 75 N -2.83 1.42 -0.14 4.45 1.01 0.31 -4.94 120.40 119.68 1zit s VAL 75 Ca 0.26 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1zit s VAL 75 Cb -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1zit s VAL 75 CO 0.17 0.07 -0.13 -0.69 0.00 0.00 0.00 175.10 174.52 1zit s VAL 76 N -0.89 1.47 -0.11 2.92 1.01 -1.26 0.47 120.40 124.02 1zit s VAL 76 Ca 0.05 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1zit s VAL 76 Cb -0.09 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1zit s VAL 76 CO 0.02 0.44 -0.19 -0.38 0.00 0.00 0.00 175.10 174.99 1zit n ILE 77 N 4.80 0.94 -2.00 2.22 2.08 -1.03 0.30 119.36 126.67 1zit n ILE 77 Ca -0.16 0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1zit n ILE 77 Cb 0.50 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 37.34 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 -3.75-12.12 -1.20 1.39 0.31 -1.25 -3.60 118.33 98.11 1zit n VAL 78 Ca -0.08 2.91 0.00 0.00 -0.01 0.00 0.00 64.34 67.17 1zit n VAL 78 Cb 0.29 -5.38 0.00 0.00 -0.91 0.00 0.00 33.84 27.84 1zit n VAL 78 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1zit n ILE 79 N 1.64 0.00 -0.83 2.52 5.41 0.31 -3.17 119.36 125.23 1zit n ILE 79 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 1zit n ILE 79 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 1zit n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1zit n THR 80 N 0.00 0.00 0.00 1.39 -2.24 -1.26 -3.90 114.28 108.27 1zit n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zit n THR 80 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.66 0.45 2.48 3.38 0.00 -1.24 -4.82 105.19 102.78 1zit n GLY 81 Ca 0.01 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.18 2.12 0.00 1.61 -0.00 -1.26 -5.04 115.22 111.47 1zit n HIS 82 Ca 0.00 -2.48 0.00 0.00 0.46 0.00 0.00 57.72 55.70 1zit n HIS 82 Cb 0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.61 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 -0.51 0.34 2.61 1.57 0.00 -1.26 -5.08 105.19 102.87 1zit n GLY 83 Ca 0.25 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1zit n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1zit n SER 84 N -0.70 -0.62 -3.41 1.61 2.88 -1.26 -4.69 113.62 107.44 1zit n SER 84 Ca 0.00 1.36 -0.33 0.00 -1.33 0.00 0.00 58.87 58.58 1zit n SER 84 Cb 0.00 -5.31 -0.04 0.00 -0.75 0.00 0.00 64.21 58.11 1zit n SER 84 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1zit n VAL 85 N 1.68 2.00 -0.14 2.46 0.31 -1.26 -4.29 118.33 119.10 1zit n VAL 85 Ca -0.41 -1.46 -0.27 0.00 -0.01 0.00 0.00 64.34 62.18 1zit n VAL 85 Cb 0.64 -2.21 -0.10 0.00 -0.91 0.00 0.00 33.84 31.26 1zit n VAL 85 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1zit n ASP 86 N 6.01 1.96 -0.02 4.52 2.03 -1.26 -4.18 116.55 125.60 1zit n ASP 86 Ca 0.46 0.24 0.16 0.00 0.52 0.00 0.00 54.79 56.17 1zit n ASP 86 Cb 0.27 -0.73 0.61 0.00 -0.72 0.00 0.00 41.12 40.55 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zit h THR 87 N -0.78 0.81 0.98 5.18 1.03 -1.93 -0.89 112.91 117.31 1zit h THR 87 Ca -0.68 -0.06 -0.05 0.00 -0.01 0.00 0.00 66.41 65.61 1zit h THR 87 Cb 1.68 0.63 0.01 0.00 -1.07 0.00 0.00 68.15 69.40 1zit h THR 87 CO -0.36 0.03 -0.47 0.00 -0.01 0.00 0.00 175.52 174.71 1zit h ALA 88 N 1.74 -1.32 -0.09 0.00 0.00 -1.90 -0.74 119.26 116.96 1zit h ALA 88 Ca 0.25 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1zit h ALA 88 Cb 0.77 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1zit h ALA 88 CO -0.04 -1.22 0.11 -0.39 0.00 0.00 0.00 179.25 177.71 1zit h VAL 89 N -1.36 0.43 0.00 0.00 -1.51 -1.55 0.43 116.25 112.68 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 1.01 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1zit h VAL 89 CO 0.22 0.00 -0.17 1.17 -1.23 0.00 0.00 177.57 177.57 1zit n LYS 90 N -3.71 0.05 -0.05 5.19 4.81 -0.40 -4.04 118.16 120.00 1zit n LYS 90 Ca -0.01 0.03 -0.07 0.00 -0.87 0.00 0.00 58.31 57.40 1zit n LYS 90 Cb 0.21 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.66 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 -1.56 1.76 -1.40 3.14 0.00 0.84 -4.90 120.51 118.39 1zit n ALA 91 Ca 0.06 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.68 1zit n ALA 91 Cb 0.36 0.19 0.07 0.00 0.00 0.00 0.00 19.45 20.07 1zit n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1zit s ILE 92 N -2.22 3.62 0.00 0.00 -4.36 0.11 -2.01 121.20 116.33 1zit s ILE 92 Ca -0.13 0.54 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1zit s ILE 92 Cb 0.04 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1zit s ILE 92 CO 0.29 -0.67 0.00 0.29 0.24 0.00 0.00 174.94 175.08 1zit n LYS 93 N -3.28 0.00 0.17 0.37 4.76 -1.26 -4.51 118.16 114.41 1zit n LYS 93 Ca 0.08 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 1zit n LYS 93 Cb 0.53 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.98 1zit n LYS 93 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1zit h LYS 94 N 0.00 0.00 0.00 1.97 1.63 -1.91 -3.44 116.57 114.81 1zit h LYS 94 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zit h LYS 94 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1zit h LYS 94 CO 0.00 0.44 0.00 0.41 -3.45 0.00 0.00 179.45 176.85 1zit n GLY 95 N 0.44 0.02 3.39 5.01 0.00 -1.18 -4.95 105.19 107.92 1zit n GLY 95 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1zit n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zit s ALA 96 N -0.47 -0.48 -1.29 4.61 0.00 -0.85 -4.14 121.76 119.14 1zit s ALA 96 Ca 0.00 -0.67 0.21 0.00 0.00 0.00 0.00 51.96 51.50 1zit s ALA 96 Cb 0.00 -3.01 -0.16 0.00 0.00 0.00 0.00 23.12 19.96 1zit s ALA 96 CO 0.00 -4.26 0.93 0.98 0.00 0.00 0.00 175.76 173.41 1zit n TYR 97 N -5.32 0.00 0.00 0.00 9.36 0.15 -4.00 117.16 117.34 1zit n TYR 97 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1zit n TYR 97 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 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 -1.02 0.00 -0.68 2.98 -0.00 -1.26 -4.96 120.64 115.70 1zit n GLU 98 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 1zit n GLU 98 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.80 1zit n GLU 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1zit n PHE 99 N 0.00 -0.60 -1.65 -1.84 7.35 -1.24 -4.90 117.46 114.59 1zit n PHE 99 Ca 0.00 0.36 -0.32 0.00 -0.76 0.00 0.00 57.45 56.73 1zit n PHE 99 Cb 0.00 -2.19 0.05 0.00 0.35 0.00 0.00 39.48 37.69 1zit n PHE 99 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1zit s LEU 100 N -0.09 3.24 0.18 -2.13 1.98 -1.19 -5.03 118.68 115.63 1zit s LEU 100 Ca 0.00 1.77 0.10 0.00 -2.89 0.00 0.00 54.13 53.11 1zit s LEU 100 Cb 0.00 -4.52 -0.04 0.00 0.66 0.00 0.00 46.19 42.29 1zit s LEU 100 CO 0.00 -1.53 -0.17 -1.61 -1.89 0.00 0.00 176.35 171.15 1zit s GLU 101 N -4.63 1.77 -0.32 1.98 0.41 -1.26 -4.66 118.70 111.99 1zit s GLU 101 Ca 0.61 -1.38 -0.11 0.00 -0.41 0.00 0.00 54.97 53.68 1zit s GLU 101 Cb -0.16 -2.00 0.01 0.00 -1.78 0.00 0.00 34.13 30.20 1zit s GLU 101 CO 0.49 0.42 0.43 1.63 -0.49 0.00 0.00 175.26 177.73 1zit n LYS 102 N 0.23 -1.82 -0.83 1.61 5.02 -1.26 -4.81 118.16 116.29 1zit n LYS 102 Ca -0.12 1.74 -0.25 0.00 -2.02 0.00 0.00 58.31 57.66 1zit n LYS 102 Cb 0.55 -4.61 -0.02 0.00 -0.02 0.00 0.00 35.03 30.94 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 -0.31 2.34 -3.67 1.97 -0.04 -1.26 -4.58 135.00 129.46 1zit n PRO 103 Ca 0.09 -1.58 -0.10 0.00 -0.04 0.00 0.00 63.50 61.87 1zit n PRO 103 Cb 0.33 -2.51 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 1zit n PRO 103 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1zit s PHE 104 N 3.23 -0.64 0.00 0.54 5.36 -1.26 -4.92 117.98 120.28 1zit s PHE 104 Ca 0.44 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 1zit s PHE 104 Cb 0.11 0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.98 1zit s PHE 104 CO -0.04 -0.42 0.00 -1.13 -1.46 0.00 0.00 175.22 172.18 1zit n SER 105 N 5.19 0.00 0.00 6.13 3.41 -1.26 -4.45 113.62 122.64 1zit n SER 105 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1zit n SER 105 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1zit n VAL 106 N 0.00 0.00 -0.32 -3.33 0.24 -1.26 -4.50 118.33 109.16 1zit n VAL 106 Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.34 62.50 1zit n VAL 106 Cb 0.00 -0.10 0.41 0.00 -1.47 0.00 0.00 33.84 32.68 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 2.18 0.22 -0.37 7.34 4.81 -1.91 1.39 114.58 128.24 1zit h GLU 107 Ca 0.00 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1zit h GLU 107 Cb 0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1zit h GLU 107 CO 0.00 0.15 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.07 1zit h ARG 108 N 0.23 0.76 -0.04 1.92 9.65 -1.90 -2.18 114.38 122.81 1zit h ARG 108 Ca 0.67 -0.32 0.01 0.00 -1.10 0.00 0.00 59.98 59.24 1zit h ARG 108 Cb 1.50 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1zit h ARG 108 CO -0.67 0.94 0.08 0.35 2.80 0.00 0.00 179.97 183.48 1zit h PHE 109 N 0.65 0.00 0.09 2.20 3.57 0.15 -2.22 116.94 121.39 1zit h PHE 109 Ca 0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1zit h PHE 109 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1zit h PHE 109 CO 0.04 0.00 -0.05 1.25 -2.23 0.00 0.00 178.31 177.32 1zit h LEU 110 N 0.00 -0.11 0.00 0.59 6.46 -0.58 -2.44 115.31 119.24 1zit h LEU 110 Ca 0.02 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1zit h LEU 110 Cb 0.19 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 1zit h LEU 110 CO -0.00 0.10 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.57 1zit h LEU 111 N -0.32 -0.82 -0.04 2.25 4.07 -1.50 -2.86 115.31 116.10 1zit h LEU 111 Ca -0.01 0.11 0.03 0.00 0.08 0.00 0.00 57.88 58.09 1zit h LEU 111 Cb 0.27 0.33 -0.06 0.00 1.08 0.00 0.00 40.66 42.28 1zit h LEU 111 CO 0.02 -0.35 -0.40 0.74 -1.08 0.00 0.00 178.44 177.38 1zit h THR 112 N -0.42 0.18 -0.33 0.22 2.02 -1.57 -2.98 112.91 110.03 1zit h THR 112 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 1zit h THR 112 Cb 0.51 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1zit h THR 112 CO -0.24 0.00 -0.20 -0.38 0.37 0.00 0.00 175.52 175.08 1zit n ILE 113 N -5.44 -0.23 -0.02 3.11 2.08 -0.92 0.13 119.36 118.08 1zit n ILE 113 Ca -0.05 1.06 -0.14 0.00 0.56 0.00 0.00 62.75 64.18 1zit n ILE 113 Cb 0.36 -1.34 -0.09 0.00 -0.75 0.00 0.00 39.64 37.82 1zit n ILE 113 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1zit h LYS 114 N 0.00 -0.53 -0.26 0.38 3.11 -1.55 0.62 116.57 118.34 1zit h LYS 114 Ca 0.05 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.01 1zit h LYS 114 Cb 0.14 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1zit h LYS 114 CO -0.31 -0.35 0.33 1.25 -2.81 0.00 0.00 179.45 177.55 1zit h HIS 115 N -0.55 0.00 -0.15 1.91 2.76 0.66 -1.01 115.15 118.77 1zit h HIS 115 Ca 0.05 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1zit h HIS 115 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 1zit h HIS 115 CO -0.58 0.00 -0.23 0.00 -1.30 0.00 0.00 177.93 175.82 1zit h ALA 116 N 1.59 0.23 0.00 5.26 0.00 0.68 -2.97 119.26 124.04 1zit h ALA 116 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1zit h ALA 116 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1zit h ALA 116 CO -0.00 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.63 1zit n PHE 117 N -4.46 0.54 0.25 0.00 3.01 -0.40 -2.54 117.46 113.87 1zit n PHE 117 Ca -0.06 0.24 0.16 0.00 1.01 0.00 0.00 57.45 58.80 1zit n PHE 117 Cb 0.43 -0.88 0.87 0.00 -0.01 0.00 0.00 39.48 39.89 1zit n PHE 117 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1zit h GLU 118 N 0.00 0.00 -1.25 -1.08 4.22 -1.35 -2.07 114.58 113.05 1zit h GLU 118 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.06 1zit h GLU 118 Cb 0.22 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.29 1zit h GLU 118 CO 0.00 0.00 0.48 0.39 -2.18 0.00 0.00 179.01 177.70 1zit n GLU 119 N -2.64 1.93 -0.56 1.92 1.02 -1.05 -3.95 120.64 117.29 1zit n GLU 119 Ca -0.02 -1.93 0.04 0.00 -0.02 0.00 0.00 57.16 55.23 1zit n GLU 119 Cb 0.08 -1.76 0.07 0.00 -0.02 0.00 0.00 31.44 29.82 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 -0.15 0.00 -0.72 -0.32 9.36 -0.78 -4.88 117.16 119.67 1zit n TYR 120 Ca 0.37 -0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1zit n TYR 120 Cb 0.82 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.41 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53