#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 0.15 -0.43 0.03 -0.14 -1.26 -4.97 119.74 113.12 1zit s LYS 2 Ca 0.00 0.27 0.04 0.00 -1.36 0.00 0.00 55.97 54.93 1zit s LYS 2 Cb 0.00 -0.63 0.17 0.00 -1.68 0.00 0.00 37.83 35.69 1zit s LYS 2 CO 0.00 -0.30 0.45 1.03 -0.76 0.00 0.00 175.35 175.77 1zit s ARG 3 N 1.99 0.86 0.80 1.68 3.00 -1.26 -1.21 118.95 124.81 1zit s ARG 3 Ca 0.03 -1.43 -0.11 0.00 0.00 0.00 0.00 55.73 54.23 1zit s ARG 3 Cb -0.12 -0.83 0.07 0.00 0.00 0.00 0.00 34.95 34.07 1zit s ARG 3 CO -0.04 -1.31 1.10 0.08 0.00 0.00 0.00 175.30 175.13 1zit s VAL 4 N 0.72 3.16 -0.06 3.52 1.01 -1.18 -4.07 120.40 123.50 1zit s VAL 4 Ca 0.27 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1zit s VAL 4 Cb -0.04 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1zit s VAL 4 CO -0.10 -0.49 -0.23 -0.22 0.00 0.00 0.00 175.10 174.06 1zit s LEU 5 N -6.01 2.19 -0.03 3.92 2.96 0.20 -1.55 118.68 120.35 1zit s LEU 5 Ca 0.62 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1zit s LEU 5 Cb -0.18 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1zit s LEU 5 CO 0.56 0.26 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.94 1zit s VAL 6 N -0.23 2.37 -0.15 1.68 1.01 0.21 0.05 120.40 125.34 1zit s VAL 6 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1zit s VAL 6 Cb -0.13 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1zit s VAL 6 CO 0.03 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 174.90 1zit s VAL 7 N -0.59 1.43 -0.07 2.92 1.01 -0.51 0.43 120.40 125.03 1zit s VAL 7 Ca 0.09 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1zit s VAL 7 Cb -0.11 -1.39 0.11 0.00 0.00 0.00 0.00 36.38 35.00 1zit s VAL 7 CO -0.00 0.40 1.02 -0.62 0.00 0.00 0.00 175.10 175.89 1zit s ASP 8 N 1.54 -0.27 -0.41 3.32 2.15 -1.23 -0.52 116.67 121.26 1zit s ASP 8 Ca 0.04 -0.02 -0.04 0.00 0.43 0.00 0.00 52.55 52.96 1zit s ASP 8 Cb -0.13 0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.77 1zit s ASP 8 CO -0.10 -0.48 2.94 -0.67 -0.17 0.00 0.00 175.17 176.69 1zit n ASP 9 N -0.20 6.30 -3.99 -0.34 2.03 -1.26 -3.83 116.55 115.26 1zit n ASP 9 Ca -0.05 -3.04 -0.25 0.00 0.52 0.00 0.00 54.79 51.97 1zit n ASP 9 Cb 0.60 -1.28 -0.17 0.00 -0.72 0.00 0.00 41.12 39.56 1zit n ASP 9 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1zit s GLU 10 N -1.07 1.61 0.41 -0.67 2.12 -1.26 -4.84 118.70 115.00 1zit s GLU 10 Ca 0.61 -0.36 -0.21 0.00 0.36 0.00 0.00 54.97 55.37 1zit s GLU 10 Cb 0.36 -1.43 -0.11 0.00 0.26 0.00 0.00 34.13 33.22 1zit s GLU 10 CO -0.17 -0.06 0.94 -1.21 -0.54 0.00 0.00 175.26 174.22 1zit s GLU 11 N 0.95 4.26 -0.81 4.30 0.41 -1.26 -4.33 118.70 122.22 1zit s GLU 11 Ca -0.09 1.12 -0.02 0.00 -0.41 0.00 0.00 54.97 55.57 1zit s GLU 11 Cb -0.15 -2.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1zit s GLU 11 CO 0.00 0.02 0.74 0.43 -0.49 0.00 0.00 175.26 175.96 1zit n SER 12 N -0.48 -7.17 -1.17 -0.19 7.64 -1.26 -4.79 113.62 106.19 1zit n SER 12 Ca 0.06 -0.28 0.13 0.00 1.01 0.00 0.00 58.87 59.79 1zit n SER 12 Cb 0.53 -5.09 -0.05 0.00 -1.01 0.00 0.00 64.21 58.60 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1zit n ILE 13 N -2.23 -0.12 -3.36 0.44 2.08 -1.26 -4.82 119.36 110.09 1zit n ILE 13 Ca -0.02 0.40 -0.35 0.00 0.56 0.00 0.00 62.75 63.34 1zit n ILE 13 Cb 0.54 -0.74 -0.06 0.00 -0.75 0.00 0.00 39.64 38.63 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -3.45 4.86 0.23 1.39 -4.23 -1.26 -4.91 115.64 108.27 1zit s THR 14 Ca 0.00 0.77 -0.32 0.00 -1.18 0.00 0.00 61.69 60.97 1zit s THR 14 Cb 0.00 -3.71 -0.13 0.00 1.34 0.00 0.00 72.50 70.00 1zit s THR 14 CO 0.00 0.17 1.48 -1.20 -0.54 0.00 0.00 174.62 174.53 1zit n SER 15 N 0.59 3.03 0.00 3.99 7.64 -1.26 -2.40 113.62 125.20 1zit n SER 15 Ca -0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1zit n SER 15 Cb 0.52 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1zit n SER 16 N 2.44 0.00 -0.01 6.43 7.64 -1.26 -4.76 113.62 124.10 1zit n SER 16 Ca 0.12 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.90 1zit n SER 16 Cb 0.32 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 1zit n SER 16 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1zit h LEU 17 N 0.00 -0.83 0.00 -3.43 6.46 -1.87 -1.40 115.31 114.25 1zit h LEU 17 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1zit h LEU 17 Cb 0.00 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1zit h LEU 17 CO 0.00 -0.31 0.00 -0.24 -0.62 0.00 0.00 178.44 177.27 1zit n SER 18 N -5.38 0.00 -0.33 1.25 2.88 -1.20 0.33 113.62 111.16 1zit n SER 18 Ca -0.03 0.91 0.20 0.00 -1.33 0.00 0.00 58.87 58.62 1zit n SER 18 Cb 0.30 -0.41 0.42 0.00 -0.75 0.00 0.00 64.21 63.76 1zit n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zit h ALA 19 N -1.45 1.80 0.15 -1.46 0.00 -1.89 0.09 119.26 116.51 1zit h ALA 19 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1zit h ALA 19 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1zit h ALA 19 CO 0.00 -0.45 -0.07 0.82 0.00 0.00 0.00 179.25 179.55 1zit h ILE 20 N 0.40 0.00 -1.23 0.00 2.04 -0.28 -2.25 117.51 116.20 1zit h ILE 20 Ca 0.68 -0.04 0.36 0.00 1.00 0.00 0.00 64.86 66.85 1zit h ILE 20 Cb 1.43 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1zit h ILE 20 CO -0.56 0.00 0.89 -0.07 0.00 0.00 0.00 178.15 178.41 1zit h LEU 21 N -0.24 0.00 -0.79 1.44 3.38 0.32 1.36 115.31 120.77 1zit h LEU 21 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1zit h LEU 21 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1zit h LEU 21 CO 0.03 0.00 -0.28 -0.33 0.09 0.00 0.00 178.44 177.96 1zit h GLU 22 N 0.00 0.00 0.18 1.13 5.08 -0.88 -0.17 114.58 119.91 1zit h GLU 22 Ca 0.58 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.63 1zit h GLU 22 Cb 2.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.62 1zit h GLU 22 CO -0.01 0.28 -1.45 1.49 -1.00 0.00 0.00 179.01 178.32 1zit h GLU 23 N 0.00 0.38 0.00 2.33 4.81 0.24 -3.30 114.58 119.04 1zit h GLU 23 Ca -0.00 -0.65 -0.11 0.00 -0.13 0.00 0.00 59.36 58.47 1zit h GLU 23 Cb 0.91 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1zit h GLU 23 CO 0.04 1.29 -0.52 1.49 -0.73 0.00 0.00 179.01 180.58 1zit h GLU 24 N 0.10 0.00 -1.30 1.92 4.22 -1.33 -3.48 114.58 114.72 1zit h GLU 24 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1zit h GLU 24 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1zit h GLU 24 CO 0.22 0.52 0.00 0.41 -2.18 0.00 0.00 179.01 177.98 1zit n GLY 25 N 1.12 0.63 3.11 1.92 0.00 -0.26 -5.10 105.19 106.61 1zit n GLY 25 Ca 0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 1zit n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1zit n TYR 26 N -0.65 -0.31 -3.58 1.61 4.01 -0.24 -4.88 117.16 113.13 1zit n TYR 26 Ca 0.00 -1.96 -0.27 0.00 -0.16 0.00 0.00 57.90 55.51 1zit n TYR 26 Cb 0.27 -0.35 -0.10 0.00 -0.31 0.00 0.00 39.34 38.85 1zit n TYR 26 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1zit n HIS 27 N -1.43 0.99 -2.99 -0.72 -0.00 -0.35 -4.80 115.22 105.92 1zit n HIS 27 Ca -0.06 -3.76 -0.39 0.00 0.46 0.00 0.00 57.72 53.97 1zit n HIS 27 Cb 0.52 -0.17 -0.06 0.00 -0.12 0.00 0.00 29.99 30.16 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 -0.77 4.55 -0.18 1.57 0.04 -1.26 -3.12 135.00 135.83 1zit s PRO 28 Ca 0.30 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1zit s PRO 28 Cb 0.02 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.32 1zit s PRO 28 CO -0.17 0.54 -0.16 0.34 0.04 0.00 0.00 177.00 177.58 1zit s ASP 29 N -1.00 3.16 -0.21 6.66 -1.08 -0.60 -4.98 116.67 118.62 1zit s ASP 29 Ca 0.36 -0.71 -0.09 0.00 -0.52 0.00 0.00 52.55 51.60 1zit s ASP 29 Cb -0.23 -1.36 -0.04 0.00 -1.46 0.00 0.00 42.92 39.83 1zit s ASP 29 CO 0.26 -0.06 0.10 0.42 0.52 0.00 0.00 175.17 176.41 1zit s THR 30 N 1.35 4.99 0.00 1.71 -4.23 -1.26 0.63 115.64 118.83 1zit s THR 30 Ca 0.03 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1zit s THR 30 Cb -0.14 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1zit s THR 30 CO -0.11 0.40 0.00 0.00 -0.54 0.00 0.00 174.62 174.38 1zit n ALA 31 N 3.96 0.00 -0.16 3.99 0.00 0.17 -4.88 120.51 123.59 1zit n ALA 31 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1zit n ALA 31 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.52 2.23 -3.04 0.00 5.02 -1.25 -3.57 118.16 117.03 1zit n LYS 32 Ca 0.00 -0.14 -0.01 0.00 -2.02 0.00 0.00 58.31 56.14 1zit n LYS 32 Cb 0.00 -0.53 0.01 0.00 -0.02 0.00 0.00 35.03 34.49 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zit n THR 33 N -0.36 0.00 0.09 -0.18 -2.24 -1.26 -4.40 114.28 105.93 1zit n THR 33 Ca 0.00 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 1zit n THR 33 Cb 0.04 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 1zit n THR 33 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1zit h LEU 34 N 0.00 0.13 -0.17 3.22 3.38 -1.98 -2.34 115.31 117.55 1zit h LEU 34 Ca -0.16 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1zit h LEU 34 Cb 0.76 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1zit h LEU 34 CO 0.22 0.98 -0.17 -0.09 0.09 0.00 0.00 178.44 179.47 1zit h ARG 35 N 0.05 0.41 -0.49 1.13 2.43 -1.99 -0.14 114.38 115.78 1zit h ARG 35 Ca -0.03 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1zit h ARG 35 Cb 1.59 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 1zit h ARG 35 CO 0.13 0.78 0.18 0.93 -1.51 0.00 0.00 179.97 180.49 1zit h GLU 36 N 0.06 0.71 -0.07 0.20 3.07 -1.94 -2.73 114.58 113.88 1zit h GLU 36 Ca 0.03 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1zit h GLU 36 Cb 0.71 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1zit h GLU 36 CO 0.04 0.59 -0.07 0.00 -1.40 0.00 0.00 179.01 178.17 1zit h ALA 37 N 1.50 0.10 -0.73 3.43 0.00 -1.29 -2.79 119.26 119.49 1zit h ALA 37 Ca 0.17 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1zit h ALA 37 Cb 0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 1zit h ALA 37 CO -0.01 -0.08 -0.05 0.93 0.00 0.00 0.00 179.25 180.04 1zit h GLU 38 N -0.27 0.07 0.15 0.00 5.08 -0.74 1.25 114.58 120.12 1zit h GLU 38 Ca 0.01 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1zit h GLU 38 Cb 0.59 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1zit h GLU 38 CO 0.02 0.05 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.70 1zit h LYS 39 N 0.07 -0.33 0.00 2.33 3.11 -1.49 0.90 116.57 121.17 1zit h LYS 39 Ca 0.39 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.24 1zit h LYS 39 Cb 0.66 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1zit h LYS 39 CO -0.67 -0.22 -0.06 0.87 -2.81 0.00 0.00 179.45 176.55 1zit h LYS 40 N -0.34 0.00 0.00 1.90 1.57 -0.52 -1.93 116.57 117.25 1zit h LYS 40 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1zit h LYS 40 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1zit h LYS 40 CO -0.05 0.06 -1.10 -0.89 -0.57 0.00 0.00 179.45 176.91 1zit n ILE 41 N -3.51 0.27 -0.99 1.86 5.41 0.41 -2.93 119.36 119.87 1zit n ILE 41 Ca -0.02 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1zit n ILE 41 Cb 0.19 0.03 0.35 0.00 -0.71 0.00 0.00 39.64 39.50 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 -2.17 4.21 0.05 0.38 0.00 0.30 -3.61 118.16 117.32 1zit n LYS 42 Ca 0.01 -3.12 0.00 0.00 0.00 0.00 0.00 58.31 55.19 1zit n LYS 42 Cb 0.48 -2.23 0.00 0.00 0.00 0.00 0.00 35.03 33.28 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1zit n GLU 43 N 0.16 0.00 -0.53 1.64 1.02 -1.14 -4.87 120.64 116.93 1zit n GLU 43 Ca 0.34 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.59 1zit n GLU 43 Cb 1.29 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 33.06 1zit n GLU 43 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zit n LEU 44 N -2.80 4.45 -1.18 -4.62 7.99 -1.15 -5.00 117.00 114.69 1zit n LEU 44 Ca 0.00 -2.24 -0.03 0.00 -0.01 0.00 0.00 56.01 53.73 1zit n LEU 44 Cb 0.00 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 1zit n LEU 44 CO 0.00 0.88 -0.08 0.33 -1.51 0.00 0.00 177.39 177.01 1zit n PHE 45 N 1.35 -0.19 -2.19 -1.77 7.35 -1.24 -4.82 117.46 115.95 1zit n PHE 45 Ca 0.25 0.08 -0.36 0.00 -0.76 0.00 0.00 57.45 56.66 1zit n PHE 45 Cb 0.79 -0.24 0.01 0.00 0.35 0.00 0.00 39.48 40.39 1zit n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1zit s PHE 46 N -0.22 2.67 -0.13 -5.13 0.08 -1.26 -4.99 117.98 109.00 1zit s PHE 46 Ca 0.03 1.53 -0.23 0.00 0.12 0.00 0.00 56.93 58.38 1zit s PHE 46 Cb -0.00 -3.38 -0.26 0.00 -0.57 0.00 0.00 43.02 38.81 1zit s PHE 46 CO 0.06 -1.74 0.62 -1.00 -0.10 0.00 0.00 175.22 173.06 1zit h PRO 47 N 1.45 0.12 -5.24 0.24 0.14 -1.88 -3.44 132.00 123.39 1zit h PRO 47 Ca -0.50 -0.20 -0.67 0.00 0.14 0.00 0.00 66.00 64.78 1zit h PRO 47 Cb 1.27 0.07 -0.31 0.00 0.14 0.00 0.00 31.00 32.17 1zit h PRO 47 CO 0.58 1.09 -0.82 0.08 0.14 0.00 0.00 178.00 179.07 1zit s VAL 48 N -2.35 2.57 -0.17 1.56 1.01 -1.26 0.11 120.40 121.86 1zit s VAL 48 Ca -0.20 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1zit s VAL 48 Cb 0.01 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1zit s VAL 48 CO 0.71 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 175.64 1zit s ILE 49 N 0.67 3.39 -0.26 2.22 -1.09 0.17 0.62 121.20 126.91 1zit s ILE 49 Ca -0.08 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.82 1zit s ILE 49 Cb -0.16 -2.49 0.07 0.00 -1.58 0.00 0.00 42.46 38.31 1zit s ILE 49 CO 0.02 0.47 0.00 -0.69 -1.23 0.00 0.00 174.94 173.52 1zit s VAL 50 N 0.84 1.39 0.73 2.92 1.01 0.11 -1.50 120.40 125.89 1zit s VAL 50 Ca -0.02 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.49 1zit s VAL 50 Cb -0.15 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.44 1zit s VAL 50 CO 0.01 -0.31 1.11 -0.22 0.00 0.00 0.00 175.10 175.68 1zit s LEU 51 N 1.42 2.80 0.12 3.92 2.96 -1.26 -1.42 118.68 127.22 1zit s LEU 51 Ca 0.01 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1zit s LEU 51 Cb -0.18 -3.86 0.00 0.00 0.50 0.00 0.00 46.19 42.65 1zit s LEU 51 CO -0.11 -1.52 0.00 -0.67 -1.32 0.00 0.00 176.35 172.73 1zit n ASP 52 N -3.12 0.42 -2.48 3.68 -0.08 0.33 -1.25 116.55 114.05 1zit n ASP 52 Ca 0.07 0.19 -0.03 0.00 -1.51 0.00 0.00 54.79 53.51 1zit n ASP 52 Cb 0.57 -0.03 0.01 0.00 2.34 0.00 0.00 41.12 44.02 1zit n ASP 52 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1zit n VAL 53 N -3.28 -6.34 0.00 5.18 0.31 -1.26 -3.72 118.33 109.23 1zit n VAL 53 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1zit n VAL 53 Cb 0.10 -5.42 0.00 0.00 -0.91 0.00 0.00 33.84 27.61 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 -1.83 0.00 0.04 3.52 -0.00 -1.26 -4.47 117.44 113.45 1zit n TRP 54 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.38 1zit n TRP 54 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.70 1zit n TRP 54 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.69 178.21 1zit h MET 55 N 0.00 0.08 0.00 5.87 2.86 -1.97 -3.47 114.93 118.30 1zit h MET 55 Ca 0.00 -0.14 -0.19 0.00 -2.06 0.00 0.00 59.70 57.31 1zit h MET 55 Cb 0.00 0.05 0.07 0.00 0.06 0.00 0.00 31.60 31.78 1zit h MET 55 CO 0.00 0.91 0.15 -0.35 1.06 0.00 0.00 176.91 178.68 1zit n PRO 56 N -3.31 -0.35 -2.69 -0.22 -0.04 -1.26 -5.07 135.00 122.06 1zit n PRO 56 Ca -0.09 -0.97 -0.05 0.00 -0.04 0.00 0.00 63.50 62.35 1zit n PRO 56 Cb 1.00 -0.52 0.09 0.00 -0.04 0.00 0.00 33.50 34.03 1zit n PRO 56 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zit n ASP 57 N -3.27 -1.62 -0.60 3.54 -0.08 -1.26 -4.92 116.55 108.33 1zit n ASP 57 Ca 0.07 -2.47 0.04 0.00 -1.51 0.00 0.00 54.79 50.92 1zit n ASP 57 Cb 0.25 1.38 0.12 0.00 2.34 0.00 0.00 41.12 45.21 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zit n GLY 58 N 0.25 0.67 2.75 0.27 0.00 -1.26 -4.96 105.19 102.91 1zit n GLY 58 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 1zit n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zit n ASP 59 N 0.23 -6.31 0.00 1.61 9.92 -1.26 -4.82 116.55 115.91 1zit n ASP 59 Ca 0.09 1.31 0.07 0.00 -0.53 0.00 0.00 54.79 55.73 1zit n ASP 59 Cb 0.31 -4.87 0.30 0.00 -0.64 0.00 0.00 41.12 36.22 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zit n GLY 60 N 1.03 -0.92 0.18 0.44 0.00 -1.26 -3.41 105.19 101.26 1zit n GLY 60 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1zit n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1zit h VAL 61 N 0.00 0.57 0.00 1.61 2.07 -1.88 0.26 116.25 118.88 1zit h VAL 61 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1zit h VAL 61 Cb 0.21 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1zit h VAL 61 CO 0.00 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.13 1zit n ASN 62 N -5.31 0.00 0.00 0.57 6.94 -1.22 -3.44 115.26 112.80 1zit n ASN 62 Ca 0.04 -0.31 -0.22 0.00 -0.02 0.00 0.00 54.58 54.07 1zit n ASN 62 Cb 0.24 -0.20 -0.14 0.00 -2.36 0.00 0.00 39.78 37.33 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1zit h PHE 63 N 0.00 0.45 -1.61 -2.53 3.57 -0.69 -3.36 116.94 112.76 1zit h PHE 63 Ca 0.00 -0.33 0.47 0.00 3.53 0.00 0.00 57.97 61.64 1zit h PHE 63 Cb 0.16 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 1zit h PHE 63 CO 0.00 1.69 1.16 0.82 -2.23 0.00 0.00 178.31 179.75 1zit h ILE 64 N -0.14 0.19 0.30 1.41 5.03 -1.42 0.24 117.51 123.13 1zit h ILE 64 Ca -0.38 -0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.35 1zit h ILE 64 Cb 1.89 0.19 0.00 0.00 -3.03 0.00 0.00 36.82 35.88 1zit h ILE 64 CO 0.06 0.00 -0.14 -0.78 -0.68 0.00 0.00 178.15 176.60 1zit h ASP 65 N 0.00 -0.34 -0.98 1.72 3.58 -1.77 -2.72 116.42 115.92 1zit h ASP 65 Ca 0.77 -0.18 0.24 0.00 0.42 0.00 0.00 57.03 58.28 1zit h ASP 65 Cb 3.08 0.09 -0.13 0.00 1.72 0.00 0.00 39.33 44.09 1zit h ASP 65 CO -0.01 0.03 0.55 0.15 -2.88 0.00 0.00 179.24 177.08 1zit h PHE 66 N -0.77 0.93 -0.16 0.28 3.04 -0.71 1.00 116.94 120.54 1zit h PHE 66 Ca -0.04 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1zit h PHE 66 Cb 0.50 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1zit h PHE 66 CO 0.03 0.02 0.10 0.82 -2.02 0.00 0.00 178.31 177.26 1zit h ILE 67 N 0.52 1.06 0.00 1.41 5.03 -1.40 -1.75 117.51 122.38 1zit h ILE 67 Ca 0.63 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 65.24 1zit h ILE 67 Cb 1.22 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.86 1zit h ILE 67 CO -0.50 0.05 0.00 0.11 -0.68 0.00 0.00 178.15 177.14 1zit h LYS 68 N 0.20 0.00 0.04 2.37 1.79 -0.46 0.54 116.57 121.06 1zit h LYS 68 Ca 0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1zit h LYS 68 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1zit h LYS 68 CO -0.01 0.00 -0.02 1.49 -1.08 0.00 0.00 179.45 179.83 1zit h GLU 69 N 0.00 -0.05 -0.15 3.15 4.81 0.15 -3.24 114.58 119.25 1zit h GLU 69 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 69 Cb 0.82 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1zit h GLU 69 CO 0.00 0.33 0.00 0.09 -0.73 0.00 0.00 179.01 178.70 1zit n ASN 70 N -4.93 3.00 -2.74 1.04 3.02 -0.72 -4.76 115.26 109.17 1zit n ASN 70 Ca -0.08 -2.76 -0.08 0.00 -0.03 0.00 0.00 54.58 51.62 1zit n ASN 70 Cb 0.22 -0.39 0.06 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.66 -2.70 0.17 6.41 7.64 0.19 -4.99 113.62 119.68 1zit n SER 71 Ca 0.15 -3.26 0.14 0.00 1.01 0.00 0.00 58.87 56.91 1zit n SER 71 Cb 0.66 1.78 0.49 0.00 -1.01 0.00 0.00 64.21 66.13 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 3.77 0.00 -0.02 1.43 0.11 -1.65 -2.76 132.00 132.88 1zit h PRO 72 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1zit h PRO 72 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1zit h PRO 72 CO 0.26 0.00 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.56 1zit n ASP 73 N -2.56 2.50 -4.34 -2.05 9.92 -1.26 -4.97 116.55 113.79 1zit n ASP 73 Ca 0.03 -1.75 -0.28 0.00 -0.53 0.00 0.00 54.79 52.25 1zit n ASP 73 Cb 0.32 0.25 0.16 0.00 -0.64 0.00 0.00 41.12 41.20 1zit n ASP 73 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1zit s SER 74 N -2.24 3.55 0.26 -2.24 0.15 -1.04 -4.35 113.70 107.79 1zit s SER 74 Ca 0.23 0.21 0.10 0.00 0.70 0.00 0.00 55.95 57.19 1zit s SER 74 Cb 0.19 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1zit s SER 74 CO 0.44 -2.45 -0.06 -0.69 1.20 0.00 0.00 173.24 171.68 1zit s VAL 75 N -3.70 3.22 -0.41 4.45 1.01 0.30 -4.96 120.40 120.32 1zit s VAL 75 Ca 0.71 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1zit s VAL 75 Cb -0.05 -2.70 0.16 0.00 0.00 0.00 0.00 36.38 33.79 1zit s VAL 75 CO 0.51 -0.34 0.37 -0.69 0.00 0.00 0.00 175.10 174.94 1zit s VAL 76 N -2.28 0.04 0.04 2.92 1.01 -1.25 -0.66 120.40 120.22 1zit s VAL 76 Ca 0.30 -2.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.04 1zit s VAL 76 Cb -0.06 -0.99 -0.16 0.00 0.00 0.00 0.00 36.38 35.17 1zit s VAL 76 CO 0.18 -0.95 1.28 0.40 0.00 0.00 0.00 175.10 176.01 1zit h ILE 77 N 4.80 1.37 -5.92 2.22 1.08 -1.52 0.83 117.51 120.37 1zit h ILE 77 Ca 0.18 -1.54 -0.11 0.00 -0.39 0.00 0.00 64.86 63.00 1zit h ILE 77 Cb 0.97 2.04 0.01 0.00 -3.07 0.00 0.00 36.82 36.77 1zit h ILE 77 CO 0.28 0.46 -0.96 0.52 -0.69 0.00 0.00 178.15 177.76 1zit n VAL 78 N -4.43 -6.68 -4.10 1.67 0.31 -1.25 -3.98 118.33 99.86 1zit n VAL 78 Ca -0.07 0.79 -0.28 0.00 -0.01 0.00 0.00 64.34 64.76 1zit n VAL 78 Cb 0.46 -4.92 -0.07 0.00 -0.91 0.00 0.00 33.84 28.40 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 -1.59 4.26 0.06 2.52 1.01 -0.38 -4.27 121.20 122.81 1zit s ILE 79 Ca 0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1zit s ILE 79 Cb -0.02 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.34 1zit s ILE 79 CO 0.57 0.00 0.11 0.35 0.00 0.00 0.00 174.94 175.97 1zit n THR 80 N 0.10 0.00 0.00 2.92 -2.24 -1.24 -2.65 114.28 111.17 1zit n THR 80 Ca -0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1zit n THR 80 Cb 0.53 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zit n GLY 81 N -0.09 -0.02 2.52 3.38 0.00 -1.26 -4.36 105.19 105.35 1zit n GLY 81 Ca -0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.83 2.37 -3.03 1.61 -0.00 -1.26 -4.76 115.22 108.32 1zit n HIS 82 Ca 0.00 -2.72 0.00 0.00 0.46 0.00 0.00 57.72 55.46 1zit n HIS 82 Cb 0.00 -2.27 0.00 0.00 -0.12 0.00 0.00 29.99 27.60 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 3.80 0.91 3.68 1.57 0.00 -1.26 -5.03 105.19 108.86 1zit n GLY 83 Ca 0.64 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.56 4.20 0.29 1.61 1.04 -1.26 -5.01 113.70 116.13 1zit s SER 84 Ca 0.00 -1.15 0.23 0.00 0.48 0.00 0.00 55.95 55.51 1zit s SER 84 Cb 0.00 -0.47 1.06 0.00 0.10 0.00 0.00 66.02 66.71 1zit s SER 84 CO 0.00 -0.45 1.70 0.55 0.98 0.00 0.00 173.24 176.02 1zit n VAL 85 N -1.09 0.90 0.29 5.02 3.14 -1.26 -2.26 118.33 123.07 1zit n VAL 85 Ca -0.03 0.42 0.17 0.00 -2.96 0.00 0.00 64.34 61.94 1zit n VAL 85 Cb 0.65 -1.38 0.89 0.00 -1.06 0.00 0.00 33.84 32.94 1zit n VAL 85 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1zit h ASP 86 N 0.00 0.00 0.87 6.55 3.58 -2.00 -1.37 116.42 124.05 1zit h ASP 86 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1zit h ASP 86 Cb 0.23 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1zit h ASP 86 CO 0.00 0.05 -1.09 0.00 -2.88 0.00 0.00 179.24 175.32 1zit h THR 87 N 0.00 1.64 0.81 2.25 1.03 -1.82 -2.80 112.91 114.02 1zit h THR 87 Ca -0.00 -3.30 -0.04 0.00 -0.01 0.00 0.00 66.41 63.06 1zit h THR 87 Cb 0.25 2.88 0.01 0.00 -1.07 0.00 0.00 68.15 70.22 1zit h THR 87 CO 0.01 0.95 -0.39 0.00 -0.01 0.00 0.00 175.52 176.08 1zit h ALA 88 N 0.86 -1.09 0.00 0.00 0.00 -1.41 -2.43 119.26 115.19 1zit h ALA 88 Ca -0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1zit h ALA 88 Cb 1.84 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 1zit h ALA 88 CO 0.16 -1.07 -0.00 -0.39 0.00 0.00 0.00 179.25 177.94 1zit h VAL 89 N -1.16 0.34 -0.55 0.00 -1.51 -1.59 0.86 116.25 112.63 1zit h VAL 89 Ca -0.11 -0.01 -0.37 0.00 -1.23 0.00 0.00 66.70 64.98 1zit h VAL 89 Cb 0.84 1.01 -0.16 0.00 -2.13 0.00 0.00 31.29 30.85 1zit h VAL 89 CO 0.18 0.00 0.48 1.17 -1.23 0.00 0.00 177.57 178.17 1zit n LYS 90 N -3.58 1.92 0.00 5.19 4.81 -0.92 -3.59 118.16 121.99 1zit n LYS 90 Ca -0.03 -1.81 0.00 0.00 -0.87 0.00 0.00 58.31 55.60 1zit n LYS 90 Cb 0.08 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1zit n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zit n ALA 91 N 0.11 0.00 0.12 3.14 0.00 -0.70 -4.40 120.51 118.77 1zit n ALA 91 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.76 1zit n ALA 91 Cb 0.64 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.18 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 1.52 0.00 0.00 3.07 -1.01 -3.07 117.51 118.01 1zit h ILE 92 Ca 0.00 -2.46 -0.10 0.00 1.55 0.00 0.00 64.86 63.85 1zit h ILE 92 Cb 0.00 2.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.86 1zit h ILE 92 CO 0.00 0.70 -0.45 0.11 -1.05 0.00 0.00 178.15 177.46 1zit h LYS 93 N 0.00 0.00 0.00 0.16 1.57 -1.78 -2.48 116.57 114.04 1zit h LYS 93 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1zit h LYS 93 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1zit h LYS 93 CO 0.09 0.45 0.00 0.87 -0.57 0.00 0.00 179.45 180.30 1zit h LYS 94 N 0.00 0.00 0.00 3.15 6.56 -1.82 -3.44 116.57 121.02 1zit h LYS 94 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1zit h LYS 94 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1zit h LYS 94 CO 0.06 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.86 1zit n GLY 95 N -0.65 -0.38 0.00 3.86 0.00 -0.96 -5.02 105.19 102.04 1zit n GLY 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.34 4.61 0.00 -1.08 -4.89 120.51 117.82 1zit n ALA 96 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1zit n ALA 96 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.62 1.33 0.00 0.00 9.36 0.29 -4.87 117.16 120.65 1zit n TYR 97 Ca 0.00 -1.49 0.00 0.00 3.32 0.00 0.00 57.90 59.73 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 -0.99 0.00 -2.97 2.98 0.28 -1.26 -4.80 120.64 113.87 1zit n GLU 98 Ca 0.35 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.92 1zit n GLU 98 Cb 1.10 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.91 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1zit s PHE 99 N -3.30 3.00 0.59 -1.84 0.40 -1.26 -4.49 117.98 111.09 1zit s PHE 99 Ca 0.00 0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 56.31 1zit s PHE 99 Cb 0.00 -3.64 -0.03 0.00 0.51 0.00 0.00 43.02 39.86 1zit s PHE 99 CO 0.00 -0.97 1.24 -1.17 0.70 0.00 0.00 175.22 175.03 1zit s LEU 100 N 3.26 3.68 0.37 -0.37 2.96 -1.26 -5.03 118.68 122.29 1zit s LEU 100 Ca 0.30 2.49 0.07 0.00 -0.22 0.00 0.00 54.13 56.76 1zit s LEU 100 Cb -0.12 -4.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.02 1zit s LEU 100 CO 0.22 -1.66 0.51 -1.61 -1.32 0.00 0.00 176.35 172.49 1zit s GLU 101 N -3.26 3.02 -0.41 1.98 2.02 -1.26 -4.52 118.70 116.27 1zit s GLU 101 Ca 0.77 -1.07 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 1zit s GLU 101 Cb -0.33 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.12 1zit s GLU 101 CO 0.36 -0.06 0.53 1.63 0.02 0.00 0.00 175.26 177.74 1zit n LYS 102 N -1.73 -1.95 0.00 1.61 4.01 -1.26 -4.88 118.16 113.95 1zit n LYS 102 Ca 0.03 1.84 0.10 0.00 -0.51 0.00 0.00 58.31 59.77 1zit n LYS 102 Cb 0.58 -5.13 0.56 0.00 -0.51 0.00 0.00 35.03 30.53 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1zit n PRO 103 N -0.49 0.42 0.03 1.97 -0.04 -1.26 -3.61 135.00 132.01 1zit n PRO 103 Ca 0.09 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1zit n PRO 103 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1zit n PRO 103 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1zit h PHE 104 N 0.00 -0.17 -3.42 0.54 0.04 -1.93 -3.45 116.94 108.54 1zit h PHE 104 Ca 0.00 -0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 1zit h PHE 104 Cb 0.14 0.06 -0.25 0.00 2.20 0.00 0.00 35.95 38.09 1zit h PHE 104 CO 0.00 -0.04 -0.74 0.45 -0.60 0.00 0.00 178.31 177.38 1zit s SER 105 N -5.38 4.21 -0.49 2.17 0.15 -1.24 -4.95 113.70 108.18 1zit s SER 105 Ca -0.04 -0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.35 1zit s SER 105 Cb 0.00 -1.53 0.41 0.00 -1.71 0.00 0.00 66.02 63.19 1zit s SER 105 CO 0.13 0.20 1.95 1.33 1.20 0.00 0.00 173.24 178.05 1zit n VAL 106 N 3.29 3.16 0.23 4.45 0.24 -1.26 -4.56 118.33 123.88 1zit n VAL 106 Ca -0.18 -2.19 -0.14 0.00 -2.04 0.00 0.00 64.34 59.79 1zit n VAL 106 Cb 0.53 -1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 31.77 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 1.52 -0.57 -0.15 7.34 4.81 -1.95 -2.31 114.58 123.28 1zit h GLU 107 Ca 0.49 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 1zit h GLU 107 Cb 1.31 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1zit h GLU 107 CO 1.17 -0.28 0.05 -0.09 -0.73 0.00 0.00 179.01 179.13 1zit h ARG 108 N -0.83 0.20 -0.95 1.92 9.65 -1.95 -1.16 114.38 121.26 1zit h ARG 108 Ca -0.06 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.86 1zit h ARG 108 Cb 0.56 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.03 1zit h ARG 108 CO 0.10 0.18 0.62 0.35 2.80 0.00 0.00 179.97 184.02 1zit h PHE 109 N 0.20 1.13 0.10 2.20 3.57 -1.80 -1.87 116.94 120.47 1zit h PHE 109 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1zit h PHE 109 Cb 0.06 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1zit h PHE 109 CO 0.00 0.60 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.56 1zit h LEU 110 N 1.12 -0.12 -0.47 0.59 3.38 -0.65 0.33 115.31 119.49 1zit h LEU 110 Ca 0.40 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1zit h LEU 110 Cb 0.15 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1zit h LEU 110 CO -0.15 -0.06 0.23 -0.07 0.09 0.00 0.00 178.44 178.48 1zit h LEU 111 N -0.16 0.33 -0.21 1.67 3.38 -1.39 -2.80 115.31 116.13 1zit h LEU 111 Ca -0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1zit h LEU 111 Cb 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1zit h LEU 111 CO 0.02 0.23 -0.17 0.74 0.09 0.00 0.00 178.44 179.36 1zit h THR 112 N 0.46 1.32 -0.96 0.22 2.02 -1.23 -3.27 112.91 111.47 1zit h THR 112 Ca 0.21 -1.30 0.17 0.00 0.77 0.00 0.00 66.41 66.26 1zit h THR 112 Cb 0.12 1.70 -0.17 0.00 -1.74 0.00 0.00 68.15 68.07 1zit h THR 112 CO -0.15 0.40 -0.33 0.40 0.37 0.00 0.00 175.52 176.21 1zit h ILE 113 N 0.17 0.02 -0.55 3.11 1.08 -0.07 0.15 117.51 121.43 1zit h ILE 113 Ca 0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1zit h ILE 113 Cb 0.70 0.02 -0.11 0.00 -3.07 0.00 0.00 36.82 34.36 1zit h ILE 113 CO 0.04 0.00 -0.29 0.50 -0.69 0.00 0.00 178.15 177.71 1zit h LYS 114 N -0.01 -0.14 -0.55 2.37 3.11 -1.58 0.21 116.57 119.98 1zit h LYS 114 Ca 0.39 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.21 1zit h LYS 114 Cb 0.64 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.88 1zit h LYS 114 CO -0.97 -0.09 0.24 1.25 -2.81 0.00 0.00 179.45 177.06 1zit h HIS 115 N -0.15 0.77 -0.96 1.91 2.76 -0.90 -2.44 115.15 116.15 1zit h HIS 115 Ca 0.24 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1zit h HIS 115 Cb 0.53 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 1zit h HIS 115 CO -0.58 0.59 0.63 0.00 -1.30 0.00 0.00 177.93 177.27 1zit h ALA 116 N 1.49 1.32 0.00 5.26 0.00 0.75 -0.76 119.26 127.32 1zit h ALA 116 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zit h ALA 116 Cb 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1zit h ALA 116 CO -0.02 0.63 0.00 0.74 0.00 0.00 0.00 179.25 180.60 1zit h PHE 117 N 1.29 0.00 -0.42 0.00 -1.00 -0.69 -2.80 116.94 113.32 1zit h PHE 117 Ca 0.35 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.25 1zit h PHE 117 Cb -0.14 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1zit h PHE 117 CO -0.00 0.00 0.48 1.49 -1.61 0.00 0.00 178.31 178.67 1zit h GLU 118 N 0.00 0.00 0.00 1.51 4.81 -1.09 0.69 114.58 120.50 1zit h GLU 118 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zit h GLU 118 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1zit h GLU 118 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 1zit n GLU 119 N -3.62 0.25 -2.72 1.92 -0.58 -1.06 -4.02 120.64 110.80 1zit n GLU 119 Ca 0.08 0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1zit n GLU 119 Cb 0.66 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 30.11 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 -1.33 -2.66 0.01 -0.32 9.36 0.24 -4.82 117.16 117.64 1zit n TYR 120 Ca 0.09 -1.91 0.00 0.00 3.32 0.00 0.00 57.90 59.41 1zit n TYR 120 Cb 0.19 1.57 0.00 0.00 -0.63 0.00 0.00 39.34 40.48 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53