#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 -4.69 -3.76 3.17 4.01 -1.26 -4.39 118.16 111.24 1zit n LYS 2 Ca 0.00 3.47 -0.22 0.00 -0.51 0.00 0.00 58.31 61.04 1zit n LYS 2 Cb 0.00 -4.46 -0.18 0.00 -0.51 0.00 0.00 35.03 29.89 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 -0.73 0.46 0.26 1.97 3.00 -1.26 -0.45 118.95 122.19 1zit s ARG 3 Ca -0.05 0.17 0.11 0.00 0.00 0.00 0.00 55.73 55.95 1zit s ARG 3 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 34.95 34.05 1zit s ARG 3 CO 0.13 -0.30 -0.10 0.08 0.00 0.00 0.00 175.30 175.10 1zit s VAL 4 N 1.99 2.98 -0.15 3.52 1.01 -0.99 -4.19 120.40 124.57 1zit s VAL 4 Ca 0.05 -2.08 -0.03 0.00 0.00 0.00 0.00 61.98 59.91 1zit s VAL 4 Cb -0.12 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1zit s VAL 4 CO -0.05 -0.34 -0.05 -0.22 0.00 0.00 0.00 175.10 174.45 1zit s LEU 5 N -3.45 3.19 -0.60 3.92 2.96 0.16 -2.03 118.68 122.83 1zit s LEU 5 Ca 0.29 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1zit s LEU 5 Cb -0.06 -1.77 0.15 0.00 0.50 0.00 0.00 46.19 45.02 1zit s LEU 5 CO 0.17 0.16 0.39 -0.69 -1.32 0.00 0.00 176.35 175.06 1zit s VAL 6 N 0.39 3.31 -0.35 1.68 1.01 -1.26 0.12 120.40 125.30 1zit s VAL 6 Ca -0.05 -3.19 -0.26 0.00 0.00 0.00 0.00 61.98 58.49 1zit s VAL 6 Cb -0.14 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1zit s VAL 6 CO 0.03 -0.86 0.91 -0.69 0.00 0.00 0.00 175.10 174.49 1zit s VAL 7 N -0.26 4.62 -0.09 2.92 1.01 0.20 -0.84 120.40 127.96 1zit s VAL 7 Ca 0.18 1.26 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 1zit s VAL 7 Cb -0.21 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.89 1zit s VAL 7 CO -0.03 -0.47 0.33 -0.62 0.00 0.00 0.00 175.10 174.31 1zit s ASP 8 N 1.79 -0.30 -0.32 3.32 2.15 -1.22 0.33 116.67 122.43 1zit s ASP 8 Ca 0.38 0.49 -0.05 0.00 0.43 0.00 0.00 52.55 53.80 1zit s ASP 8 Cb -0.12 0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1zit s ASP 8 CO 0.17 -0.22 3.03 -0.67 -0.17 0.00 0.00 175.17 177.31 1zit n ASP 9 N 2.39 6.10 0.00 -0.34 2.03 -0.94 -3.76 116.55 122.02 1zit n ASP 9 Ca -0.16 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1zit n ASP 9 Cb 0.57 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 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 1.37 0.70 -1.43 -0.67 0.00 -1.26 -4.78 120.64 114.57 1zit n GLU 10 Ca 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 57.16 56.90 1zit n GLU 10 Cb 0.66 -0.80 0.00 0.00 0.00 0.00 0.00 31.44 31.30 1zit n GLU 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1zit n GLU 11 N -0.16 -3.81 -1.06 5.31 1.02 -1.25 -4.96 120.64 115.73 1zit n GLU 11 Ca 0.00 2.94 0.14 0.00 -0.02 0.00 0.00 57.16 60.21 1zit n GLU 11 Cb 0.24 -3.61 -0.04 0.00 -0.02 0.00 0.00 31.44 28.01 1zit n GLU 11 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1zit n SER 12 N -2.24 -6.14 -4.38 1.62 7.64 -1.26 -4.77 113.62 104.09 1zit n SER 12 Ca 0.00 0.46 -0.32 0.00 1.01 0.00 0.00 58.87 60.02 1zit n SER 12 Cb 0.36 -3.35 0.15 0.00 -1.01 0.00 0.00 64.21 60.36 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 -3.25 0.00 -2.62 0.44 2.08 -1.26 -4.88 119.36 109.87 1zit n ILE 13 Ca 0.00 -0.23 -0.29 0.00 0.56 0.00 0.00 62.75 62.79 1zit n ILE 13 Cb 0.62 -0.65 -0.01 0.00 -0.75 0.00 0.00 39.64 38.85 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 -2.35 4.85 0.22 1.39 -4.23 -1.26 -5.03 115.64 109.22 1zit s THR 14 Ca 0.57 0.42 -0.30 0.00 -1.18 0.00 0.00 61.69 61.20 1zit s THR 14 Cb -0.18 -3.82 -0.09 0.00 1.34 0.00 0.00 72.50 69.75 1zit s THR 14 CO 0.67 -0.77 1.21 -0.55 -0.54 0.00 0.00 174.62 174.64 1zit s SER 15 N -3.79 7.05 0.00 3.99 0.15 -1.26 -2.89 113.70 116.95 1zit s SER 15 Ca 0.50 2.32 0.00 0.00 0.70 0.00 0.00 55.95 59.46 1zit s SER 15 Cb -0.10 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1zit s SER 15 CO 0.41 -0.38 0.00 -1.20 1.20 0.00 0.00 173.24 173.27 1zit n SER 16 N 2.12 -0.22 -0.09 5.45 7.64 -1.26 -4.85 113.62 122.41 1zit n SER 16 Ca 0.03 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 1zit n SER 16 Cb 0.44 -0.75 -0.08 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.23 -3.43 0.00 -1.14 -3.78 117.00 110.26 1zit n LEU 17 Ca 0.00 0.49 -0.07 0.00 0.00 0.00 0.00 56.01 56.44 1zit n LEU 17 Cb 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 43.42 42.48 1zit n LEU 17 CO 0.00 0.03 0.59 -1.28 0.00 0.00 0.00 177.39 176.73 1zit h SER 18 N -1.00 -1.40 -0.99 1.96 0.87 -1.89 0.29 113.55 111.40 1zit h SER 18 Ca -0.24 0.25 0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1zit h SER 18 Cb 1.04 0.66 -0.08 0.00 -0.44 0.00 0.00 62.40 63.58 1zit h SER 18 CO -0.14 -0.32 0.62 0.00 -0.53 0.00 0.00 176.83 176.45 1zit h ALA 19 N 0.83 1.47 0.07 6.23 0.00 -1.93 -0.99 119.26 124.95 1zit h ALA 19 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1zit h ALA 19 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1zit h ALA 19 CO -0.73 0.22 -0.03 0.82 0.00 0.00 0.00 179.25 179.53 1zit h ILE 20 N 0.98 0.00 -1.39 0.00 2.04 -0.64 -2.58 117.51 115.91 1zit h ILE 20 Ca 0.48 -0.02 0.40 0.00 1.00 0.00 0.00 64.86 66.73 1zit h ILE 20 Cb 0.46 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1zit h ILE 20 CO -0.26 0.00 1.00 -0.07 0.00 0.00 0.00 178.15 178.82 1zit h LEU 21 N -0.12 0.01 -0.93 1.44 3.38 -0.82 1.33 115.31 119.61 1zit h LEU 21 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1zit h LEU 21 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1zit h LEU 21 CO 0.02 -0.00 -0.52 -0.08 0.09 0.00 0.00 178.44 177.94 1zit h GLU 22 N 0.01 0.03 0.11 1.13 4.81 -1.11 0.94 114.58 120.51 1zit h GLU 22 Ca 0.67 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.60 1zit h GLU 22 Cb 2.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 32.03 1zit h GLU 22 CO -0.02 0.55 -1.32 1.49 -0.73 0.00 0.00 179.01 178.97 1zit h GLU 23 N 0.02 0.24 0.15 1.92 4.81 0.21 -3.34 114.58 118.60 1zit h GLU 23 Ca -0.00 -0.41 -0.31 0.00 -0.13 0.00 0.00 59.36 58.50 1zit h GLU 23 Cb 0.93 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1zit h GLU 23 CO 0.07 1.15 -1.53 0.93 -0.73 0.00 0.00 179.01 178.90 1zit h GLU 24 N 0.07 0.32 -0.84 1.92 4.39 -1.13 -3.49 114.58 115.82 1zit h GLU 24 Ca -0.16 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 58.99 1zit h GLU 24 Cb 1.97 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.83 1zit h GLU 24 CO 0.18 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.65 1zit n GLY 25 N 1.69 0.66 1.30 -3.84 0.00 0.32 -5.08 105.19 100.24 1zit n GLY 25 Ca -0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.42 -1.40 -3.61 1.61 4.02 -0.63 -4.61 117.16 112.11 1zit n TYR 26 Ca 0.00 -0.78 -0.29 0.00 -0.01 0.00 0.00 57.90 56.82 1zit n TYR 26 Cb 0.17 -0.16 -0.12 0.00 -0.02 0.00 0.00 39.34 39.21 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 -0.83 1.56 0.01 -0.72 2.46 0.41 -4.89 115.29 113.29 1zit s HIS 27 Ca 0.12 -2.19 -0.29 0.00 0.47 0.00 0.00 55.06 53.17 1zit s HIS 27 Cb -0.01 -1.53 -0.04 0.00 -0.13 0.00 0.00 32.58 30.88 1zit s HIS 27 CO 0.08 -0.79 0.94 -1.25 -2.47 0.00 0.00 174.74 171.24 1zit s PRO 28 N 0.50 4.57 0.00 2.88 0.04 -1.26 -2.35 135.00 139.38 1zit s PRO 28 Ca 0.19 1.35 0.17 0.00 0.04 0.00 0.00 61.00 62.75 1zit s PRO 28 Cb -0.21 -3.44 0.31 0.00 0.04 0.00 0.00 34.50 31.20 1zit s PRO 28 CO -0.02 0.02 1.22 -3.47 0.04 0.00 0.00 177.00 174.80 1zit n ASP 29 N 3.65 2.95 0.00 6.66 2.03 -0.86 -4.99 116.55 125.99 1zit n ASP 29 Ca 0.04 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.49 1zit n ASP 29 Cb 0.51 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zit n THR 30 N 1.03 0.00 -2.68 5.18 -2.24 -1.26 -4.75 114.28 109.56 1zit n THR 30 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1zit n THR 30 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.01 6.98 0.00 -0.02 -4.86 120.51 122.62 1zit n ALA 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1zit n ALA 31 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.23 1.35 -3.84 0.00 5.02 -1.25 -3.37 118.16 115.85 1zit n LYS 32 Ca 0.00 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1zit n LYS 32 Cb 0.00 -1.05 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1zit n LYS 32 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zit s THR 33 N -2.05 0.00 0.13 -0.18 2.01 -1.26 -2.20 115.64 112.09 1zit s THR 33 Ca -0.02 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.72 1zit s THR 33 Cb 0.01 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1zit s THR 33 CO 0.06 0.00 1.79 -0.07 -0.69 0.00 0.00 174.62 175.71 1zit h LEU 34 N 2.01 0.30 -0.53 4.42 3.38 -1.96 0.61 115.31 123.54 1zit h LEU 34 Ca -0.33 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1zit h LEU 34 Cb 1.25 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1zit h LEU 34 CO 0.42 0.22 0.30 0.03 0.09 0.00 0.00 178.44 179.50 1zit h ARG 35 N 0.35 0.56 -0.07 1.13 3.08 -1.99 0.47 114.38 117.92 1zit h ARG 35 Ca 0.10 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1zit h ARG 35 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1zit h ARG 35 CO -0.02 0.37 -0.54 0.93 -1.07 0.00 0.00 179.97 179.65 1zit h GLU 36 N 0.58 0.20 0.00 0.04 4.39 -1.87 -2.61 114.58 115.30 1zit h GLU 36 Ca 0.23 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 1zit h GLU 36 Cb 0.08 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1zit h GLU 36 CO -0.13 0.68 -0.68 0.00 -1.16 0.00 0.00 179.01 177.72 1zit h ALA 37 N 1.29 0.77 -0.24 3.43 0.00 0.11 -1.47 119.26 123.16 1zit h ALA 37 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 1zit h ALA 37 Cb 0.99 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1zit h ALA 37 CO 0.08 0.85 -0.64 0.93 0.00 0.00 0.00 179.25 180.47 1zit h GLU 38 N 0.00 0.85 -0.07 0.00 5.08 0.08 0.43 114.58 120.95 1zit h GLU 38 Ca -0.01 -0.60 -0.13 0.00 -1.00 0.00 0.00 59.36 57.63 1zit h GLU 38 Cb 1.28 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1zit h GLU 38 CO 0.09 1.22 -0.53 -0.22 -1.00 0.00 0.00 179.01 178.57 1zit h LYS 39 N 0.63 0.21 0.12 2.33 3.11 -1.44 0.89 116.57 122.41 1zit h LYS 39 Ca -0.01 -0.12 -0.28 0.00 -2.81 0.00 0.00 60.65 57.42 1zit h LYS 39 Cb 1.26 0.01 0.02 0.00 -1.00 0.00 0.00 32.23 32.51 1zit h LYS 39 CO 0.14 0.69 -1.21 1.57 -2.81 0.00 0.00 179.45 177.82 1zit h LYS 40 N 0.16 0.47 0.00 1.90 2.10 -1.12 -3.27 116.57 116.81 1zit h LYS 40 Ca 0.00 -0.66 -0.13 0.00 -2.00 0.00 0.00 60.65 57.87 1zit h LYS 40 Cb 0.99 0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1zit h LYS 40 CO 0.08 1.28 -0.61 0.82 -2.00 0.00 0.00 179.45 179.03 1zit h ILE 41 N 0.19 1.15 0.00 0.07 2.04 -0.05 -3.07 117.51 117.85 1zit h ILE 41 Ca -0.16 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1zit h ILE 41 Cb 1.89 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 40.34 1zit h ILE 41 CO 0.22 0.60 0.00 0.29 0.00 0.00 0.00 178.15 179.25 1zit n LYS 42 N -3.41 0.25 -0.05 2.37 4.76 0.30 -2.70 118.16 119.68 1zit n LYS 42 Ca 0.01 0.12 -0.03 0.00 -2.87 0.00 0.00 58.31 55.54 1zit n LYS 42 Cb 0.71 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.30 1zit n LYS 42 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1zit n GLU 43 N -1.27 1.48 -4.15 1.97 1.02 -1.16 -5.03 120.64 113.50 1zit n GLU 43 Ca 0.08 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1zit n GLU 43 Cb 0.13 -1.34 -0.11 0.00 -0.02 0.00 0.00 31.44 30.11 1zit n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1zit s LEU 44 N -4.71 2.42 -0.72 -4.62 0.20 -1.10 -5.10 118.68 105.05 1zit s LEU 44 Ca -0.06 -0.85 -0.20 0.00 0.69 0.00 0.00 54.13 53.72 1zit s LEU 44 Cb 0.05 -0.17 0.11 0.00 -0.43 0.00 0.00 46.19 45.75 1zit s LEU 44 CO 0.55 -0.34 0.91 0.12 -0.29 0.00 0.00 176.35 177.30 1zit s PHE 45 N -2.76 2.99 -0.17 5.38 5.36 -1.26 -4.62 117.98 122.90 1zit s PHE 45 Ca 0.05 -1.04 -0.29 0.00 -0.96 0.00 0.00 56.93 54.69 1zit s PHE 45 Cb -0.01 -4.16 -0.00 0.00 -0.34 0.00 0.00 43.02 38.51 1zit s PHE 45 CO -0.02 -1.44 1.04 -0.06 -1.46 0.00 0.00 175.22 173.28 1zit s PHE 46 N 2.91 3.40 -0.40 10.12 0.08 -1.26 -4.92 117.98 127.91 1zit s PHE 46 Ca 0.21 1.51 0.22 0.00 0.12 0.00 0.00 56.93 58.99 1zit s PHE 46 Cb -0.16 -3.24 0.29 0.00 -0.57 0.00 0.00 43.02 39.34 1zit s PHE 46 CO 0.02 -0.42 1.55 -1.00 -0.10 0.00 0.00 175.22 175.27 1zit h PRO 47 N 7.32 0.00 -2.94 0.24 0.13 -1.88 -3.41 132.00 131.46 1zit h PRO 47 Ca -0.25 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.72 1zit h PRO 47 Cb 1.10 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 1zit h PRO 47 CO 0.92 0.05 -0.40 0.08 -0.23 0.00 0.00 178.00 178.42 1zit s VAL 48 N -3.20 -0.02 0.31 1.56 1.01 -1.26 0.56 120.40 119.37 1zit s VAL 48 Ca 0.06 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.22 1zit s VAL 48 Cb 0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1zit s VAL 48 CO 0.69 0.03 -0.12 -0.63 0.00 0.00 0.00 175.10 175.07 1zit s ILE 49 N 0.87 2.21 -0.29 2.22 -1.09 0.25 0.39 121.20 125.76 1zit s ILE 49 Ca -0.06 -2.25 0.03 0.00 -2.23 0.00 0.00 60.65 56.14 1zit s ILE 49 Cb -0.07 -2.50 0.17 0.00 -1.58 0.00 0.00 42.46 38.48 1zit s ILE 49 CO -0.06 -0.28 0.46 -0.69 -1.23 0.00 0.00 174.94 173.13 1zit s VAL 50 N -2.65 -0.72 0.69 2.92 1.01 0.33 -2.01 120.40 119.97 1zit s VAL 50 Ca 0.31 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1zit s VAL 50 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1zit s VAL 50 CO 0.15 -0.22 1.08 -0.22 0.00 0.00 0.00 175.10 175.89 1zit s LEU 51 N 2.57 2.97 -0.39 3.92 2.96 -1.26 0.62 118.68 130.07 1zit s LEU 51 Ca 0.10 1.22 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 1zit s LEU 51 Cb -0.12 -4.08 0.16 0.00 0.50 0.00 0.00 46.19 42.66 1zit s LEU 51 CO -0.28 -1.26 0.46 -0.62 -1.32 0.00 0.00 176.35 173.32 1zit s ASP 52 N -4.28 0.37 -0.58 3.68 -1.08 0.15 -1.07 116.67 113.86 1zit s ASP 52 Ca 0.58 -1.51 -0.16 0.00 -0.52 0.00 0.00 52.55 50.94 1zit s ASP 52 Cb -0.11 0.92 -0.15 0.00 -1.46 0.00 0.00 42.92 42.12 1zit s ASP 52 CO 0.53 -0.22 1.80 1.33 0.52 0.00 0.00 175.17 179.13 1zit n VAL 53 N 4.10 1.45 0.00 1.11 0.24 -1.22 -3.85 118.33 120.16 1zit n VAL 53 Ca 0.13 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 1zit n VAL 53 Cb 0.49 -2.11 0.00 0.00 -1.47 0.00 0.00 33.84 30.74 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N 6.55 0.00 -2.69 6.34 -0.00 -1.26 -4.75 117.44 121.63 1zit n TRP 54 Ca 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.84 1zit n TRP 54 Cb 0.28 -0.02 0.09 0.00 -0.00 0.00 0.00 31.31 31.66 1zit n TRP 54 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1zit n MET 55 N -0.61 1.19 -0.21 5.87 2.81 -1.26 -5.10 117.12 119.81 1zit n MET 55 Ca 0.00 -2.34 0.00 0.00 -1.81 0.00 0.00 57.70 53.55 1zit n MET 55 Cb 0.00 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 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 -0.44 1.95 -2.72 0.03 -0.04 -1.26 -5.08 135.00 127.44 1zit n PRO 56 Ca 0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1zit n PRO 56 Cb 0.84 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.39 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 -0.87 -0.38 -0.00 3.54 2.03 -1.26 -4.91 116.55 114.69 1zit n ASP 57 Ca 0.00 -2.29 0.02 0.00 0.52 0.00 0.00 54.79 53.03 1zit n ASP 57 Cb 0.00 0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 40.66 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zit n GLY 58 N -0.89 -0.20 1.72 0.27 0.00 -1.26 -5.12 105.19 99.71 1zit n GLY 58 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.72 -7.99 -1.11 1.61 -0.08 -1.26 -4.84 116.55 101.16 1zit n ASP 59 Ca -0.02 1.15 0.08 0.00 -1.51 0.00 0.00 54.79 54.49 1zit n ASP 59 Cb 0.18 -4.29 0.25 0.00 2.34 0.00 0.00 41.12 39.60 1zit n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zit n GLY 60 N 1.15 1.77 0.24 0.27 0.00 -1.26 -4.28 105.19 103.08 1zit n GLY 60 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 3.15 1.28 -0.19 1.61 2.07 -1.88 -2.90 116.25 119.40 1zit h VAL 61 Ca 0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1zit h VAL 61 Cb 0.90 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1zit h VAL 61 CO 0.07 0.45 0.00 0.59 0.02 0.00 0.00 177.57 178.71 1zit n ASN 62 N -4.24 1.79 -0.00 0.57 3.02 -1.26 -3.97 115.26 111.16 1zit n ASN 62 Ca -0.02 -1.75 -0.17 0.00 -0.03 0.00 0.00 54.58 52.61 1zit n ASN 62 Cb 0.44 -0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.35 1zit n ASN 62 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1zit n PHE 63 N 0.41 1.20 -0.32 3.10 7.35 -1.10 -4.08 117.46 124.02 1zit n PHE 63 Ca 0.16 0.30 0.35 0.00 -0.76 0.00 0.00 57.45 57.51 1zit n PHE 63 Cb 0.34 -1.18 0.74 0.00 0.35 0.00 0.00 39.48 39.74 1zit n PHE 63 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1zit h ILE 64 N 0.05 0.32 0.08 -2.13 5.03 -1.67 0.84 117.51 120.03 1zit h ILE 64 Ca -0.37 0.00 -0.26 0.00 -0.12 0.00 0.00 64.86 64.11 1zit h ILE 64 Cb 2.03 0.35 0.00 0.00 -3.03 0.00 0.00 36.82 36.18 1zit h ILE 64 CO 0.09 0.00 -1.13 -0.78 -0.68 0.00 0.00 178.15 175.65 1zit h ASP 65 N 0.00 0.47 -0.87 1.72 3.58 -1.83 -3.17 116.42 116.32 1zit h ASP 65 Ca 0.57 -0.45 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1zit h ASP 65 Cb 2.38 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 43.24 1zit h ASP 65 CO -0.01 1.31 0.58 0.15 -2.88 0.00 0.00 179.24 178.39 1zit h PHE 66 N 0.13 1.09 -0.60 0.28 3.04 0.53 0.76 116.94 122.18 1zit h PHE 66 Ca -0.12 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 1zit h PHE 66 Cb 1.82 -0.37 -0.03 0.00 2.56 0.00 0.00 35.95 39.93 1zit h PHE 66 CO 0.06 0.68 0.33 0.82 -2.02 0.00 0.00 178.31 178.19 1zit h ILE 67 N 1.18 1.19 0.00 1.41 5.03 -1.48 -1.92 117.51 122.92 1zit h ILE 67 Ca 0.32 -0.49 -0.09 0.00 -0.12 0.00 0.00 64.86 64.48 1zit h ILE 67 Cb -0.12 0.43 -0.01 0.00 -3.03 0.00 0.00 36.82 34.08 1zit h ILE 67 CO -0.07 0.21 -0.45 0.11 -0.68 0.00 0.00 178.15 177.26 1zit h LYS 68 N 0.81 0.00 -0.76 2.37 1.79 -1.37 0.81 116.57 120.21 1zit h LYS 68 Ca 0.21 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.62 1zit h LYS 68 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1zit h LYS 68 CO -0.03 0.45 0.25 1.49 -1.08 0.00 0.00 179.45 180.53 1zit h GLU 69 N 0.00 1.18 0.00 3.15 4.81 0.12 -3.07 114.58 120.77 1zit h GLU 69 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1zit h GLU 69 Cb 1.12 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1zit h GLU 69 CO 0.06 0.99 -0.02 0.09 -0.73 0.00 0.00 179.01 179.39 1zit n ASN 70 N -4.25 2.06 -2.72 1.04 3.02 -0.82 -4.84 115.26 108.75 1zit n ASN 70 Ca 0.06 -2.62 -0.07 0.00 -0.03 0.00 0.00 54.58 51.93 1zit n ASN 70 Cb 0.22 -0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.02 -2.29 0.23 6.41 7.64 0.28 -4.78 113.62 120.09 1zit n SER 71 Ca 0.09 -2.71 0.15 0.00 1.01 0.00 0.00 58.87 57.42 1zit n SER 71 Cb 0.51 1.40 0.58 0.00 -1.01 0.00 0.00 64.21 65.69 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 3.68 0.00 -0.54 1.43 0.11 -1.66 -2.83 132.00 132.20 1zit h PRO 72 Ca -0.18 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.70 1zit h PRO 72 Cb 1.10 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 1zit h PRO 72 CO 0.12 0.00 0.15 -3.47 -0.21 0.00 0.00 178.00 174.60 1zit n ASP 73 N -2.84 3.38 0.00 -2.05 -0.08 -1.26 -4.97 116.55 108.73 1zit n ASP 73 Ca 0.01 -3.52 0.00 0.00 -1.51 0.00 0.00 54.79 49.77 1zit n ASP 73 Cb 0.31 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.09 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1zit n SER 74 N -0.87 0.43 -3.73 1.67 2.88 -1.07 -4.82 113.62 108.12 1zit n SER 74 Ca 0.38 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.80 1zit n SER 74 Cb 1.21 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.56 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 1.80 -0.01 -0.27 2.46 1.01 0.19 -4.87 120.40 120.71 1zit s VAL 75 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1zit s VAL 75 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1zit s VAL 75 CO 0.00 0.02 0.02 -0.69 0.00 0.00 0.00 175.10 174.46 1zit s VAL 76 N 0.76 3.61 -0.47 2.92 1.01 -1.26 0.87 120.40 127.84 1zit s VAL 76 Ca -0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1zit s VAL 76 Cb -0.06 -2.81 0.41 0.00 0.00 0.00 0.00 36.38 33.92 1zit s VAL 76 CO -0.05 0.18 1.18 -0.38 0.00 0.00 0.00 175.10 176.02 1zit n ILE 77 N 4.81 2.47 -1.59 2.22 2.08 -0.85 -0.43 119.36 128.07 1zit n ILE 77 Ca -0.16 -4.90 -0.54 0.00 0.56 0.00 0.00 62.75 57.72 1zit n ILE 77 Cb 0.48 -1.27 -0.07 0.00 -0.75 0.00 0.00 39.64 38.03 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 -0.48 0.29 -3.93 1.39 0.31 -1.26 -4.15 118.33 110.51 1zit n VAL 78 Ca 0.40 -0.13 -0.27 0.00 -0.01 0.00 0.00 64.34 64.33 1zit n VAL 78 Cb 0.63 -1.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 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 5.12 1.57 0.00 2.52 1.01 -0.23 -3.81 121.20 127.38 1zit s ILE 79 Ca 1.03 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1zit s ILE 79 Cb -0.96 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1zit s ILE 79 CO 0.58 0.00 0.00 0.41 0.00 0.00 0.00 174.94 175.93 1zit n THR 80 N -1.77 -1.83 -3.15 2.92 -1.04 -1.26 -3.38 114.28 104.78 1zit n THR 80 Ca -0.03 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.03 1zit n THR 80 Cb 0.64 -2.72 -0.01 0.00 -1.82 0.00 0.00 70.33 66.42 1zit n THR 80 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1zit s GLY 81 N 0.00 -0.58 0.37 3.41 0.00 -1.26 -4.48 107.32 104.78 1zit s GLY 81 Ca 0.00 2.44 0.02 0.00 0.00 0.00 0.00 44.72 47.19 1zit s GLY 81 CO 0.00 3.71 0.55 -1.58 0.00 0.00 0.00 173.10 175.78 1zit s HIS 82 N 2.93 3.32 0.00 1.90 2.46 -1.26 -4.91 115.29 119.73 1zit s HIS 82 Ca 0.07 0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.75 1zit s HIS 82 Cb -0.11 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 1zit s HIS 82 CO -0.15 -0.03 0.00 0.41 -2.47 0.00 0.00 174.74 172.50 1zit n GLY 83 N -1.81 1.00 3.72 1.59 0.00 -1.26 -4.64 105.19 103.78 1zit n GLY 83 Ca -0.02 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1zit n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zit n SER 84 N -3.03 3.98 -3.40 1.61 7.64 -1.26 -4.83 113.62 114.33 1zit n SER 84 Ca 0.00 1.06 -0.33 0.00 1.01 0.00 0.00 58.87 60.61 1zit n SER 84 Cb 0.00 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 61.60 1zit n SER 84 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 85 N 3.97 2.29 0.06 0.44 0.24 -1.26 -4.34 118.33 119.73 1zit n VAL 85 Ca 0.16 -1.64 0.11 0.00 -2.04 0.00 0.00 64.34 60.94 1zit n VAL 85 Cb 0.35 -2.25 -0.08 0.00 -1.47 0.00 0.00 33.84 30.38 1zit n VAL 85 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1zit n ASP 86 N 5.68 0.45 0.05 -1.34 2.03 -1.26 -3.80 116.55 118.35 1zit n ASP 86 Ca 0.48 0.16 -0.14 0.00 0.52 0.00 0.00 54.79 55.81 1zit n ASP 86 Cb 0.26 1.19 -0.14 0.00 -0.72 0.00 0.00 41.12 41.71 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 0.00 1.20 0.81 5.18 1.03 -1.95 -3.14 112.91 116.03 1zit h THR 87 Ca 0.00 -2.87 -0.04 0.00 -0.01 0.00 0.00 66.41 63.49 1zit h THR 87 Cb 0.99 2.73 -0.00 0.00 -1.07 0.00 0.00 68.15 70.80 1zit h THR 87 CO 0.00 0.80 -0.47 0.00 -0.01 0.00 0.00 175.52 175.84 1zit h ALA 88 N 0.62 -1.22 -0.37 0.00 0.00 -1.91 -1.59 119.26 114.78 1zit h ALA 88 Ca -0.22 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1zit h ALA 88 Cb 1.98 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 20.32 1zit h ALA 88 CO 0.15 -1.20 0.31 -0.39 0.00 0.00 0.00 179.25 178.12 1zit h VAL 89 N -1.19 0.62 -0.00 0.00 -1.51 -1.71 1.04 116.25 113.50 1zit h VAL 89 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1zit h VAL 89 Cb 0.94 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1zit h VAL 89 CO 0.13 0.00 -0.01 1.17 -1.23 0.00 0.00 177.57 177.63 1zit n LYS 90 N -4.11 0.08 0.00 5.19 4.81 -0.77 -2.82 118.16 120.55 1zit n LYS 90 Ca 0.06 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 1zit n LYS 90 Cb 0.49 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.04 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 -1.46 2.00 0.04 3.14 0.00 0.15 -4.61 120.51 119.77 1zit n ALA 91 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.33 1zit n ALA 91 Cb 0.32 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 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 1.51 0.00 0.00 3.07 0.71 -3.10 117.51 119.69 1zit h ILE 92 Ca 0.00 -2.44 0.00 0.00 1.55 0.00 0.00 64.86 63.97 1zit h ILE 92 Cb 1.00 3.10 0.00 0.00 -0.27 0.00 0.00 36.82 40.65 1zit h ILE 92 CO 0.00 0.69 0.00 0.11 -1.05 0.00 0.00 178.15 177.90 1zit h LYS 93 N -0.35 0.00 0.00 0.16 1.57 -1.70 -0.99 116.57 115.26 1zit h LYS 93 Ca -0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1zit h LYS 93 Cb 1.56 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 1zit h LYS 93 CO 0.14 0.00 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.30 1zit h LYS 94 N 0.00 0.00 0.00 3.15 1.63 -1.78 -3.46 116.57 116.11 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 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1zit h LYS 94 CO 0.00 0.50 0.00 0.41 -3.45 0.00 0.00 179.45 176.91 1zit n GLY 95 N 0.87 0.07 3.09 5.01 0.00 -0.43 -4.93 105.19 108.88 1zit n GLY 95 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.96 1.00 4.61 0.00 -0.91 -4.85 120.51 115.40 1zit n ALA 96 Ca 0.00 -1.44 0.10 0.00 0.00 0.00 0.00 53.44 52.10 1zit n ALA 96 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 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 -5.68 0.00 -0.14 0.00 9.36 0.43 -4.81 117.16 116.32 1zit n TYR 97 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1zit n TYR 97 Cb 0.56 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 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 -0.88 -0.13 -3.83 2.98 0.28 -1.26 -5.04 120.64 112.76 1zit n GLU 98 Ca 0.06 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.76 1zit n GLU 98 Cb 0.39 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.12 1zit n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1zit s PHE 99 N -1.74 2.55 1.10 -1.84 5.36 -1.26 -3.98 117.98 118.17 1zit s PHE 99 Ca 0.00 -2.72 -0.15 0.00 -0.96 0.00 0.00 56.93 53.10 1zit s PHE 99 Cb 0.00 -2.31 0.17 0.00 -0.34 0.00 0.00 43.02 40.54 1zit s PHE 99 CO 0.00 -0.78 0.52 -0.11 -1.46 0.00 0.00 175.22 173.39 1zit n LEU 100 N 3.49 -1.26 -4.57 6.12 7.94 -1.25 -4.94 117.00 122.52 1zit n LEU 100 Ca 0.06 -0.03 -0.41 0.00 -1.11 0.00 0.00 56.01 54.52 1zit n LEU 100 Cb 0.34 -1.14 -0.08 0.00 0.53 0.00 0.00 43.42 43.07 1zit n LEU 100 CO 0.27 -3.16 0.25 -1.61 -1.11 0.00 0.00 177.39 172.03 1zit s GLU 101 N -3.91 3.75 0.08 1.96 2.02 -1.26 -4.16 118.70 117.17 1zit s GLU 101 Ca 0.62 -0.01 -0.34 0.00 0.02 0.00 0.00 54.97 55.25 1zit s GLU 101 Cb -0.19 -3.77 -0.17 0.00 0.10 0.00 0.00 34.13 30.10 1zit s GLU 101 CO 0.65 -0.58 1.60 -0.22 0.02 0.00 0.00 175.26 176.73 1zit h LYS 102 N 8.35 -0.94 0.00 1.61 3.11 -1.92 -3.44 116.57 123.34 1zit h LYS 102 Ca -0.28 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1zit h LYS 102 Cb 1.13 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 1zit h LYS 102 CO 0.76 -0.63 0.00 -0.35 -2.81 0.00 0.00 179.45 176.43 1zit n PRO 103 N -5.54 -0.11 0.00 1.90 -0.04 -1.26 -4.30 135.00 125.65 1zit n PRO 103 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1zit n PRO 103 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1zit n PRO 103 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zit n PHE 104 N -1.68 0.00 0.00 0.54 7.35 -1.26 -4.76 117.46 117.65 1zit n PHE 104 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1zit n PHE 104 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1zit n PHE 104 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1zit n SER 105 N 3.29 0.00 0.01 -2.13 2.88 -1.26 -5.03 113.62 111.38 1zit n SER 105 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1zit n SER 105 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1zit n SER 105 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1zit h VAL 106 N 0.28 0.86 -1.41 2.46 3.04 -1.86 -3.35 116.25 116.28 1zit h VAL 106 Ca 0.00 -2.60 0.41 0.00 -1.01 0.00 0.00 66.70 63.51 1zit h VAL 106 Cb 0.00 2.37 -0.08 0.00 -2.01 0.00 0.00 31.29 31.58 1zit h VAL 106 CO 0.00 0.49 0.98 -0.08 -1.01 0.00 0.00 177.57 177.95 1zit h GLU 107 N 0.00 0.06 -0.31 4.17 4.81 -1.96 1.63 114.58 122.99 1zit h GLU 107 Ca -0.22 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.87 1zit h GLU 107 Cb 1.86 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.22 1zit h GLU 107 CO 0.08 0.04 -0.37 0.00 -0.73 0.00 0.00 179.01 178.03 1zit h ARG 108 N 0.07 0.80 -0.46 1.92 2.47 -1.99 -2.71 114.38 114.47 1zit h ARG 108 Ca 0.72 -0.44 0.13 0.00 -1.26 0.00 0.00 59.98 59.13 1zit h ARG 108 Cb 2.64 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 30.96 1zit h ARG 108 CO -0.12 1.07 0.35 0.35 0.56 0.00 0.00 179.97 182.18 1zit h PHE 109 N 0.57 0.00 -0.99 3.04 3.57 0.22 0.26 116.94 123.61 1zit h PHE 109 Ca 0.04 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1zit h PHE 109 Cb 0.95 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1zit h PHE 109 CO 0.07 0.00 0.64 1.25 -2.23 0.00 0.00 178.31 178.04 1zit h LEU 110 N 0.00 0.98 0.94 0.59 6.46 -1.07 -2.68 115.31 120.53 1zit h LEU 110 Ca 0.22 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1zit h LEU 110 Cb 0.92 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1zit h LEU 110 CO -0.00 0.59 -0.49 -0.07 -0.62 0.00 0.00 178.44 177.85 1zit h LEU 111 N 1.09 -1.20 -0.83 2.25 4.07 -1.05 -2.43 115.31 117.22 1zit h LEU 111 Ca 0.45 0.05 0.19 0.00 0.08 0.00 0.00 57.88 58.65 1zit h LEU 111 Cb 0.29 0.33 -0.15 0.00 1.08 0.00 0.00 40.66 42.20 1zit h LEU 111 CO -0.20 -0.80 -0.07 0.74 -1.08 0.00 0.00 178.44 177.02 1zit h THR 112 N -1.31 0.21 0.00 0.22 2.02 -1.56 0.84 112.91 113.34 1zit h THR 112 Ca -0.13 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1zit h THR 112 Cb 1.02 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1zit h THR 112 CO 0.18 0.01 0.00 -0.38 0.37 0.00 0.00 175.52 175.70 1zit n ILE 113 N -5.45 0.00 0.26 3.11 2.08 -1.03 0.16 119.36 118.49 1zit n ILE 113 Ca 0.15 1.33 0.12 0.00 0.56 0.00 0.00 62.75 64.91 1zit n ILE 113 Cb 0.50 -2.20 0.67 0.00 -0.75 0.00 0.00 39.64 37.86 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 0.00 0.00 0.38 3.11 -1.02 0.86 116.57 119.90 1zit h LYS 114 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1zit h LYS 114 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1zit h LYS 114 CO 0.00 0.00 -1.07 1.58 -2.81 0.00 0.00 179.45 177.15 1zit n HIS 115 N -2.56 0.97 -0.02 1.91 -0.00 0.29 -3.91 115.22 111.90 1zit n HIS 115 Ca -0.02 0.29 -0.18 0.00 0.46 0.00 0.00 57.72 58.27 1zit n HIS 115 Cb 0.30 -0.98 -0.13 0.00 -0.12 0.00 0.00 29.99 29.06 1zit n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1zit h ALA 116 N 1.92 0.04 -0.32 1.57 0.00 0.89 -3.33 119.26 120.04 1zit h ALA 116 Ca -0.02 -0.76 0.09 0.00 0.00 0.00 0.00 54.91 54.22 1zit h ALA 116 Cb 1.08 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1zit h ALA 116 CO 0.01 0.35 0.23 0.74 0.00 0.00 0.00 179.25 180.58 1zit h PHE 117 N -0.69 0.00 -0.06 0.00 0.04 -1.55 0.01 116.94 114.69 1zit h PHE 117 Ca -0.14 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.64 1zit h PHE 117 Cb 1.37 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.52 1zit h PHE 117 CO 0.20 0.00 0.14 0.93 -0.60 0.00 0.00 178.31 178.98 1zit h GLU 118 N 0.00 0.00 -1.00 1.51 5.08 -1.68 0.24 114.58 118.73 1zit h GLU 118 Ca 0.15 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.07 1zit h GLU 118 Cb 0.61 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.59 1zit h GLU 118 CO -0.00 0.00 0.56 0.39 -1.00 0.00 0.00 179.01 178.96 1zit n GLU 119 N -3.34 2.07 -0.58 2.33 1.02 -0.01 -4.21 120.64 117.92 1zit n GLU 119 Ca -0.01 -2.56 0.06 0.00 -0.02 0.00 0.00 57.16 54.62 1zit n GLU 119 Cb 0.22 -2.01 0.21 0.00 -0.02 0.00 0.00 31.44 29.84 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 -0.90 0.04 -0.72 -0.32 9.36 0.07 -5.01 117.16 119.68 1zit n TYR 120 Ca 0.51 -1.48 0.00 0.00 3.32 0.00 0.00 57.90 60.25 1zit n TYR 120 Cb 1.50 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 39.96 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95