#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 1.10 -0.08 2.12 -0.14 -1.26 -5.04 119.74 116.44 1zit s LYS 2 Ca 0.00 -1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 53.08 1zit s LYS 2 Cb 0.00 -0.54 0.05 0.00 -1.68 0.00 0.00 37.83 35.66 1zit s LYS 2 CO 0.00 0.01 0.16 1.03 -0.76 0.00 0.00 175.35 175.79 1zit s ARG 3 N -3.80 0.05 0.03 1.68 3.00 -1.26 0.89 118.95 119.55 1zit s ARG 3 Ca 0.19 0.52 0.05 0.00 0.00 0.00 0.00 55.73 56.50 1zit s ARG 3 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 34.95 34.73 1zit s ARG 3 CO 0.02 -0.27 -0.14 0.08 0.00 0.00 0.00 175.30 174.99 1zit s VAL 4 N 2.00 1.11 -0.09 3.52 1.01 -1.08 -3.47 120.40 123.42 1zit s VAL 4 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1zit s VAL 4 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1zit s VAL 4 CO -0.06 0.06 0.01 -0.22 0.00 0.00 0.00 175.10 174.88 1zit s LEU 5 N -1.01 3.61 -0.13 3.92 2.96 0.12 -1.79 118.68 126.36 1zit s LEU 5 Ca 0.02 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1zit s LEU 5 Cb -0.07 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1zit s LEU 5 CO 0.01 0.38 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.53 1zit s VAL 6 N -0.89 2.33 -0.23 1.68 1.01 0.33 -0.97 120.40 123.64 1zit s VAL 6 Ca 0.13 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1zit s VAL 6 Cb -0.11 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1zit s VAL 6 CO 0.03 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 1zit s VAL 7 N 0.63 2.58 0.09 2.92 1.01 -0.18 0.67 120.40 128.12 1zit s VAL 7 Ca -0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1zit s VAL 7 Cb -0.16 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1zit s VAL 7 CO 0.02 0.26 0.03 -0.62 0.00 0.00 0.00 175.10 174.79 1zit s ASP 8 N 1.29 0.38 0.00 3.32 -1.08 -1.19 0.11 116.67 119.50 1zit s ASP 8 Ca 0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 1zit s ASP 8 Cb -0.16 0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 1zit s ASP 8 CO -0.07 -0.67 0.17 -0.67 0.52 0.00 0.00 175.17 174.45 1zit n ASP 9 N 0.00 0.00 -0.91 -0.34 2.03 -1.23 -3.38 116.55 112.72 1zit n ASP 9 Ca -0.10 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1zit n ASP 9 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1zit n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zit n GLU 10 N -0.21 2.54 -0.67 -0.67 -0.58 -1.26 -4.56 120.64 115.23 1zit n GLU 10 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1zit n GLU 10 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1zit n GLU 10 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zit n GLU 11 N 0.00 -1.45 -1.51 3.49 1.02 -1.26 -4.79 120.64 116.14 1zit n GLU 11 Ca 0.00 1.18 -0.48 0.00 -0.02 0.00 0.00 57.16 57.85 1zit n GLU 11 Cb 0.00 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1zit n SER 12 N 0.07 2.58 -1.39 1.62 2.88 -1.26 -4.59 113.62 113.52 1zit n SER 12 Ca 0.00 0.32 0.17 0.00 -1.33 0.00 0.00 58.87 58.03 1zit n SER 12 Cb 0.00 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.00 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1zit n ILE 13 N 7.44 -0.33 -3.11 2.46 2.08 -1.26 -4.70 119.36 121.93 1zit n ILE 13 Ca 0.37 0.62 -0.41 0.00 0.56 0.00 0.00 62.75 63.89 1zit n ILE 13 Cb 0.32 -1.07 -0.07 0.00 -0.75 0.00 0.00 39.64 38.07 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 -3.69 4.94 0.27 1.39 -4.23 -1.26 -5.02 115.64 108.04 1zit s THR 14 Ca 0.00 0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 61.10 1zit s THR 14 Cb 0.00 -3.99 -0.14 0.00 1.34 0.00 0.00 72.50 69.71 1zit s THR 14 CO 0.00 -0.12 1.09 -1.54 -0.54 0.00 0.00 174.62 173.50 1zit n SER 15 N 5.86 1.55 0.00 3.99 3.41 -1.26 -1.12 113.62 126.05 1zit n SER 15 Ca -0.01 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1zit n SER 15 Cb 0.49 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1zit n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1zit n SER 16 N 1.38 0.00 -0.09 4.04 7.64 -1.26 -4.76 113.62 120.57 1zit n SER 16 Ca 0.10 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 1zit n SER 16 Cb 0.31 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.07 -3.43 0.00 -0.27 -3.78 117.00 111.29 1zit n LEU 17 Ca 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 56.01 56.38 1zit n LEU 17 Cb 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 43.42 42.40 1zit n LEU 17 CO 0.00 -0.02 0.50 -1.28 0.00 0.00 0.00 177.39 176.60 1zit h SER 18 N -1.00 -1.69 -1.00 1.96 0.87 -1.89 0.11 113.55 110.90 1zit h SER 18 Ca -0.22 0.21 0.21 0.00 -1.23 0.00 0.00 61.79 60.76 1zit h SER 18 Cb 1.00 0.68 -0.11 0.00 -0.44 0.00 0.00 62.40 63.52 1zit h SER 18 CO -0.13 -0.42 0.61 0.00 -0.53 0.00 0.00 176.83 176.35 1zit h ALA 19 N -0.25 1.73 0.27 6.23 0.00 -1.93 0.68 119.26 125.98 1zit h ALA 19 Ca 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1zit h ALA 19 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1zit h ALA 19 CO -0.48 -0.13 -0.13 0.82 0.00 0.00 0.00 179.25 179.33 1zit h ILE 20 N 0.70 0.00 -0.82 0.00 2.04 -1.11 -1.90 117.51 116.41 1zit h ILE 20 Ca 0.60 -0.07 0.24 0.00 1.00 0.00 0.00 64.86 66.62 1zit h ILE 20 Cb 1.01 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1zit h ILE 20 CO -0.41 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.32 1zit h LEU 21 N -0.44 0.00 -0.81 1.44 3.38 -0.58 0.93 115.31 119.23 1zit h LEU 21 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1zit h LEU 21 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1zit h LEU 21 CO 0.06 0.00 -0.50 -0.08 0.09 0.00 0.00 178.44 178.01 1zit h GLU 22 N 0.00 0.00 0.11 1.13 4.81 -0.74 0.37 114.58 120.26 1zit h GLU 22 Ca 0.39 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.33 1zit h GLU 22 Cb 1.68 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.05 1zit h GLU 22 CO -0.00 0.50 -1.40 1.49 -0.73 0.00 0.00 179.01 178.87 1zit h GLU 23 N 0.00 0.24 0.24 1.92 4.81 0.17 -3.35 114.58 118.61 1zit h GLU 23 Ca -0.01 -0.41 -0.34 0.00 -0.13 0.00 0.00 59.36 58.48 1zit h GLU 23 Cb 1.02 0.15 0.03 0.00 0.63 0.00 0.00 28.75 30.58 1zit h GLU 23 CO 0.07 1.13 -1.53 0.93 -0.73 0.00 0.00 179.01 178.87 1zit h GLU 24 N 0.07 0.51 -0.70 1.92 4.39 -1.10 -3.49 114.58 116.18 1zit h GLU 24 Ca -0.19 -0.88 0.00 0.00 0.34 0.00 0.00 59.36 58.63 1zit h GLU 24 Cb 1.99 0.33 0.00 0.00 -0.10 0.00 0.00 28.75 30.97 1zit h GLU 24 CO 0.17 1.42 0.00 0.41 -1.16 0.00 0.00 179.01 179.85 1zit n GLY 25 N 1.74 0.52 1.94 -3.84 0.00 0.13 -5.08 105.19 100.60 1zit n GLY 25 Ca -0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.35 -1.98 -3.69 1.61 4.02 -0.96 -4.36 117.16 111.45 1zit n TYR 26 Ca 0.00 -1.10 -0.27 0.00 -0.01 0.00 0.00 57.90 56.51 1zit n TYR 26 Cb 0.17 -0.25 -0.11 0.00 -0.02 0.00 0.00 39.34 39.13 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 -1.43 2.52 -2.91 -0.72 -0.00 0.26 -4.90 115.22 108.05 1zit n HIS 27 Ca 0.04 -4.09 -0.30 0.00 0.46 0.00 0.00 57.72 53.83 1zit n HIS 27 Cb 0.31 -0.46 -0.03 0.00 -0.12 0.00 0.00 29.99 29.68 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 -1.44 3.79 -0.01 1.57 0.04 -1.26 -2.62 135.00 135.07 1zit s PRO 28 Ca 0.30 0.46 -0.00 0.00 0.04 0.00 0.00 61.00 61.80 1zit s PRO 28 Cb 0.02 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1zit s PRO 28 CO -0.14 -0.01 0.02 0.34 0.04 0.00 0.00 177.00 177.25 1zit s ASP 29 N -3.07 0.01 0.01 6.66 2.15 -0.74 -4.95 116.67 116.74 1zit s ASP 29 Ca 0.51 0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.58 1zit s ASP 29 Cb -0.10 0.00 -0.03 0.00 -0.30 0.00 0.00 42.92 42.49 1zit s ASP 29 CO 0.30 -0.04 -0.15 0.42 -0.17 0.00 0.00 175.17 175.53 1zit s THR 30 N 0.29 2.98 0.20 1.71 -4.23 -1.26 0.12 115.64 115.45 1zit s THR 30 Ca -0.02 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1zit s THR 30 Cb -0.03 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1zit s THR 30 CO -0.01 0.43 0.00 0.00 -0.54 0.00 0.00 174.62 174.50 1zit n ALA 31 N 1.79 0.17 -0.00 3.99 0.00 0.21 -4.94 120.51 121.73 1zit n ALA 31 Ca -0.16 -0.88 0.01 0.00 0.00 0.00 0.00 53.44 52.41 1zit n ALA 31 Cb 0.52 0.48 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.49 0.87 -3.69 0.00 5.02 -1.22 -3.15 118.16 115.49 1zit n LYS 32 Ca -0.08 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.14 1zit n LYS 32 Cb 0.25 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 1zit n LYS 32 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zit s THR 33 N -2.15 0.00 0.47 -0.18 -4.23 -1.23 -3.56 115.64 104.75 1zit s THR 33 Ca -0.01 -0.51 0.20 0.00 -1.18 0.00 0.00 61.69 60.18 1zit s THR 33 Cb 0.01 -1.74 0.37 0.00 1.34 0.00 0.00 72.50 72.49 1zit s THR 33 CO 0.10 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.07 1zit h LEU 34 N 2.00 0.23 -0.18 4.79 3.38 -1.96 0.80 115.31 124.37 1zit h LEU 34 Ca -0.24 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1zit h LEU 34 Cb 1.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1zit h LEU 34 CO 0.27 0.12 -0.01 0.08 0.09 0.00 0.00 178.44 178.99 1zit h ARG 35 N 0.25 0.33 -0.43 1.13 -0.00 -2.00 -0.90 114.38 112.77 1zit h ARG 35 Ca 0.32 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.98 60.14 1zit h ARG 35 Cb 0.91 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.83 1zit h ARG 35 CO -0.07 0.56 0.07 0.93 -0.00 0.00 0.00 179.97 181.46 1zit h GLU 36 N 0.07 0.65 0.51 0.08 4.39 -1.46 -2.70 114.58 116.11 1zit h GLU 36 Ca 0.05 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1zit h GLU 36 Cb 0.41 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1zit h GLU 36 CO 0.01 0.61 -0.24 0.00 -1.16 0.00 0.00 179.01 178.23 1zit h ALA 37 N 1.46 -0.68 -0.93 3.43 0.00 -0.70 -2.60 119.26 119.24 1zit h ALA 37 Ca 0.14 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.12 1zit h ALA 37 Cb 0.28 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.20 1zit h ALA 37 CO 0.00 -0.78 0.38 0.93 0.00 0.00 0.00 179.25 179.78 1zit h GLU 38 N -0.88 0.29 -0.47 0.00 5.08 -1.03 1.01 114.58 118.58 1zit h GLU 38 Ca -0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1zit h GLU 38 Cb 0.60 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1zit h GLU 38 CO 0.11 0.19 0.26 -0.22 -1.00 0.00 0.00 179.01 178.35 1zit h LYS 39 N 0.30 0.49 -0.21 2.33 3.11 -1.32 0.95 116.57 122.23 1zit h LYS 39 Ca 0.61 -0.03 -0.16 0.00 -2.81 0.00 0.00 60.65 58.27 1zit h LYS 39 Cb 1.28 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1zit h LYS 39 CO -0.61 0.33 -0.48 0.87 -2.81 0.00 0.00 179.45 176.75 1zit h LYS 40 N 0.51 0.70 0.00 1.90 1.79 0.52 -3.09 116.57 118.89 1zit h LYS 40 Ca 0.20 -0.47 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1zit h LYS 40 Cb 0.07 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1zit h LYS 40 CO -0.12 1.09 -0.07 0.82 -1.08 0.00 0.00 179.45 180.08 1zit h ILE 41 N 0.40 0.18 0.00 1.86 2.04 0.11 0.13 117.51 122.24 1zit h ILE 41 Ca 0.00 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1zit h ILE 41 Cb 1.09 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1zit h ILE 41 CO 0.10 0.07 -0.01 0.11 0.00 0.00 0.00 178.15 178.43 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.57 0.10 -3.36 116.57 117.26 1zit h LYS 42 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zit h LYS 42 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1zit h LYS 42 CO 0.01 0.01 -0.27 0.39 -0.57 0.00 0.00 179.45 179.02 1zit n GLU 43 N -3.18 0.00 -1.88 3.15 1.02 -1.09 -5.02 120.64 113.64 1zit n GLU 43 Ca -0.02 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1zit n GLU 43 Cb 0.12 -0.33 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 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 -6.46 3.97 -1.09 -4.62 2.01 0.44 -4.87 118.68 108.06 1zit s LEU 44 Ca 0.00 2.00 -0.14 0.00 0.01 0.00 0.00 54.13 56.01 1zit s LEU 44 Cb 0.00 -3.53 -0.07 0.00 0.01 0.00 0.00 46.19 42.60 1zit s LEU 44 CO 0.00 -1.33 2.20 0.33 1.01 0.00 0.00 176.35 178.56 1zit n PHE 45 N 8.81 2.19 -1.90 0.29 7.35 -1.26 -4.38 117.46 128.56 1zit n PHE 45 Ca 0.21 -2.30 -0.42 0.00 -0.76 0.00 0.00 57.45 54.18 1zit n PHE 45 Cb 0.44 -2.00 -0.03 0.00 0.35 0.00 0.00 39.48 38.24 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 3.74 2.87 -0.03 -5.13 0.08 -1.26 -4.91 117.98 113.34 1zit s PHE 46 Ca 0.52 0.50 0.12 0.00 0.12 0.00 0.00 56.93 58.19 1zit s PHE 46 Cb 0.14 -3.97 -0.10 0.00 -0.57 0.00 0.00 43.02 38.51 1zit s PHE 46 CO 0.00 -3.68 1.21 -1.00 -0.10 0.00 0.00 175.22 171.65 1zit h PRO 47 N 7.20 0.00 -5.09 0.24 0.13 -1.90 -3.44 132.00 129.14 1zit h PRO 47 Ca -0.43 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.25 1zit h PRO 47 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 1zit h PRO 47 CO 0.92 0.66 -0.80 0.08 -0.23 0.00 0.00 178.00 178.64 1zit s VAL 48 N -2.82 0.98 -0.19 1.56 1.01 -1.23 0.10 120.40 119.82 1zit s VAL 48 Ca 0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1zit s VAL 48 Cb 0.09 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.72 1zit s VAL 48 CO 0.79 0.28 0.09 -0.63 0.00 0.00 0.00 175.10 175.62 1zit s ILE 49 N -0.27 0.02 -0.03 2.22 -1.09 0.23 0.11 121.20 122.38 1zit s ILE 49 Ca 0.04 -0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1zit s ILE 49 Cb -0.05 -0.70 -0.03 0.00 -1.58 0.00 0.00 42.46 40.10 1zit s ILE 49 CO -0.00 -0.32 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.62 1zit s VAL 50 N 2.08 3.61 0.24 2.92 1.01 -0.15 -2.08 120.40 128.04 1zit s VAL 50 Ca 0.02 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1zit s VAL 50 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1zit s VAL 50 CO -0.12 0.49 0.32 -0.22 0.00 0.00 0.00 175.10 175.57 1zit s LEU 51 N -1.12 4.20 -0.42 3.92 2.96 -1.26 -1.01 118.68 125.95 1zit s LEU 51 Ca 0.15 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1zit s LEU 51 Cb -0.11 -2.74 0.17 0.00 0.50 0.00 0.00 46.19 44.01 1zit s LEU 51 CO 0.04 -0.06 0.38 -0.67 -1.32 0.00 0.00 176.35 174.73 1zit n ASP 52 N -1.34 -0.78 -3.48 3.68 -0.08 0.31 -1.28 116.55 113.58 1zit n ASP 52 Ca -0.09 -2.43 -0.38 0.00 -1.51 0.00 0.00 54.79 50.38 1zit n ASP 52 Cb 0.57 -0.32 -0.07 0.00 2.34 0.00 0.00 41.12 43.64 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 2.82 1.06 0.00 5.18 0.31 -1.17 -3.99 118.33 122.55 1zit n VAL 53 Ca 0.29 -0.86 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1zit n VAL 53 Cb 0.49 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 7.49 0.00 -2.80 3.52 -0.00 -1.26 -4.62 117.44 119.78 1zit n TRP 54 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.93 1zit n TRP 54 Cb 0.35 -0.02 0.07 0.00 -0.00 0.00 0.00 31.31 31.70 1zit n TRP 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zit n MET 55 N -0.56 1.63 -0.24 5.87 0.00 -1.26 -5.07 117.12 117.49 1zit n MET 55 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 57.70 54.66 1zit n MET 55 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 33.22 32.04 1zit n MET 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1zit n PRO 56 N -0.76 2.46 -0.08 3.17 -0.04 -1.26 -4.97 135.00 133.52 1zit n PRO 56 Ca 0.02 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 1zit n PRO 56 Cb 0.82 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.16 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 -0.74 1.94 0.00 3.54 2.03 -1.26 -4.99 116.55 117.07 1zit n ASP 57 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1zit n ASP 57 Cb 0.00 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 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 1.57 3.45 2.50 0.27 0.00 -1.26 -4.84 105.19 106.88 1zit n GLY 58 Ca -0.35 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 5.76 -5.54 -3.53 1.61 9.92 -1.26 -4.90 116.55 118.61 1zit n ASP 59 Ca 0.00 -0.08 -0.40 0.00 -0.53 0.00 0.00 54.79 53.78 1zit n ASP 59 Cb 0.00 -4.53 0.01 0.00 -0.64 0.00 0.00 41.12 35.96 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 -1.13 5.65 0.36 0.44 0.00 -1.26 -4.73 105.19 104.52 1zit n GLY 60 Ca -0.19 -2.31 0.06 0.00 0.00 0.00 0.00 46.02 43.58 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 2.39 0.99 -0.33 1.61 2.07 -1.90 0.79 116.25 121.87 1zit h VAL 61 Ca 0.62 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1zit h VAL 61 Cb 0.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1zit h VAL 61 CO 1.32 0.17 0.00 0.59 0.02 0.00 0.00 177.57 179.67 1zit n ASN 62 N -4.52 2.85 0.13 0.57 3.02 -1.26 -4.06 115.26 111.99 1zit n ASN 62 Ca 0.15 -2.28 -0.22 0.00 -0.03 0.00 0.00 54.58 52.20 1zit n ASN 62 Cb 0.28 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.84 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1zit h PHE 63 N 2.10 0.85 -0.97 3.10 3.57 -1.21 -3.26 116.94 121.11 1zit h PHE 63 Ca 0.00 -0.61 0.28 0.00 3.53 0.00 0.00 57.97 61.18 1zit h PHE 63 Cb 0.95 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1zit h PHE 63 CO 0.44 1.47 0.79 0.82 -2.23 0.00 0.00 178.31 179.59 1zit h ILE 64 N 0.14 0.37 -0.03 1.41 5.03 -1.72 0.66 117.51 123.37 1zit h ILE 64 Ca -0.21 0.00 -0.24 0.00 -0.12 0.00 0.00 64.86 64.29 1zit h ILE 64 Cb 2.08 0.43 0.01 0.00 -3.03 0.00 0.00 36.82 36.31 1zit h ILE 64 CO 0.25 0.00 -0.93 -0.78 -0.68 0.00 0.00 178.15 176.01 1zit h ASP 65 N 0.00 0.72 -0.57 1.72 3.58 -1.86 -3.10 116.42 116.92 1zit h ASP 65 Ca 0.46 -0.55 0.04 0.00 0.42 0.00 0.00 57.03 57.40 1zit h ASP 65 Cb 2.03 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.81 1zit h ASP 65 CO -0.00 1.35 0.32 0.15 -2.88 0.00 0.00 179.24 178.17 1zit h PHE 66 N 0.34 0.60 -0.83 0.28 3.04 0.21 1.02 116.94 121.60 1zit h PHE 66 Ca -0.09 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.90 1zit h PHE 66 Cb 1.57 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 39.85 1zit h PHE 66 CO 0.08 0.31 0.54 0.82 -2.02 0.00 0.00 178.31 178.04 1zit h ILE 67 N 0.62 1.17 0.00 1.41 5.03 -1.50 -1.26 117.51 122.98 1zit h ILE 67 Ca 0.25 -0.37 -0.09 0.00 -0.12 0.00 0.00 64.86 64.53 1zit h ILE 67 Cb 0.10 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.88 1zit h ILE 67 CO -0.14 0.20 -0.43 0.11 -0.68 0.00 0.00 178.15 177.21 1zit h LYS 68 N 1.07 0.00 -0.58 2.37 1.79 -1.25 0.69 116.57 120.66 1zit h LYS 68 Ca 0.32 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.72 1zit h LYS 68 Cb -0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1zit h LYS 68 CO -0.09 0.43 0.10 1.49 -1.08 0.00 0.00 179.45 180.29 1zit h GLU 69 N 0.00 0.96 -0.08 3.15 4.81 0.22 -2.84 114.58 120.80 1zit h GLU 69 Ca -0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1zit h GLU 69 Cb 1.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1zit h GLU 69 CO 0.06 0.91 0.00 0.09 -0.73 0.00 0.00 179.01 179.34 1zit n ASN 70 N -4.32 2.38 -2.72 1.04 3.02 -0.70 -4.80 115.26 109.15 1zit n ASN 70 Ca 0.03 -2.31 -0.07 0.00 -0.03 0.00 0.00 54.58 52.20 1zit n ASN 70 Cb 0.27 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.52 -2.29 0.29 6.41 7.64 0.24 -4.97 113.62 120.41 1zit n SER 71 Ca 0.07 -2.85 0.18 0.00 1.01 0.00 0.00 58.87 57.28 1zit n SER 71 Cb 0.41 1.50 0.79 0.00 -1.01 0.00 0.00 64.21 65.90 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 3.53 0.00 -0.78 1.43 0.11 -1.60 -2.50 132.00 132.19 1zit h PRO 72 Ca -0.18 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.56 1zit h PRO 72 Cb 1.10 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.99 1zit h PRO 72 CO 0.14 0.01 0.39 -3.47 -0.21 0.00 0.00 178.00 174.87 1zit n ASP 73 N -3.12 3.61 -3.81 -2.05 -0.08 -1.26 -4.97 116.55 104.87 1zit n ASP 73 Ca -0.00 -3.58 -0.18 0.00 -1.51 0.00 0.00 54.79 49.52 1zit n ASP 73 Cb 0.26 -0.77 -0.01 0.00 2.34 0.00 0.00 41.12 42.94 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 -0.97 2.30 -4.21 1.67 2.88 -0.94 -4.73 113.62 109.63 1zit n SER 74 Ca 0.49 -2.27 -0.24 0.00 -1.33 0.00 0.00 58.87 55.52 1zit n SER 74 Cb 1.45 0.03 -0.14 0.00 -0.75 0.00 0.00 64.21 64.80 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 -1.85 1.50 -0.38 2.46 1.01 0.28 -4.94 120.40 118.48 1zit s VAL 75 Ca 0.16 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1zit s VAL 75 Cb -0.01 -1.29 0.11 0.00 0.00 0.00 0.00 36.38 35.19 1zit s VAL 75 CO 0.10 0.23 0.15 -0.69 0.00 0.00 0.00 175.10 174.88 1zit s VAL 76 N -0.70 1.56 -0.02 2.92 1.01 -1.26 0.75 120.40 124.67 1zit s VAL 76 Ca 0.06 -2.19 -0.04 0.00 0.00 0.00 0.00 61.98 59.81 1zit s VAL 76 Cb -0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1zit s VAL 76 CO 0.01 -0.74 0.36 0.40 0.00 0.00 0.00 175.10 175.13 1zit h ILE 77 N 6.03 0.00 -4.32 2.22 1.08 -1.71 0.96 117.51 121.78 1zit h ILE 77 Ca -0.07 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1zit h ILE 77 Cb 0.98 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1zit h ILE 77 CO 0.51 0.00 -0.57 0.52 -0.69 0.00 0.00 178.15 177.92 1zit n VAL 78 N -3.24 -8.09 -3.57 1.67 0.31 -1.26 -4.23 118.33 99.92 1zit n VAL 78 Ca -0.02 1.06 -0.23 0.00 -0.01 0.00 0.00 64.34 65.14 1zit n VAL 78 Cb 0.06 -5.84 0.00 0.00 -0.91 0.00 0.00 33.84 27.16 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 -1.14 2.11 0.10 2.52 1.01 -0.41 -4.01 121.20 121.38 1zit s ILE 79 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1zit s ILE 79 Cb -0.01 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1zit s ILE 79 CO 0.48 0.00 0.00 0.41 0.00 0.00 0.00 174.94 175.83 1zit n THR 80 N -1.81 -6.04 -3.60 2.92 -1.04 -1.26 -3.05 114.28 100.40 1zit n THR 80 Ca 0.04 1.34 -0.07 0.00 -2.04 0.00 0.00 64.05 63.33 1zit n THR 80 Cb 0.63 -3.18 -0.05 0.00 -1.82 0.00 0.00 70.33 65.91 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 -0.43 -0.12 0.36 3.41 0.00 -1.26 -4.27 107.32 105.02 1zit s GLY 81 Ca 0.00 2.37 0.03 0.00 0.00 0.00 0.00 44.72 47.12 1zit s GLY 81 CO 0.00 1.06 0.10 1.42 0.00 0.00 0.00 173.10 175.68 1zit n HIS 82 N 0.64 0.27 -2.45 1.90 8.25 -1.26 -4.97 115.22 117.59 1zit n HIS 82 Ca -0.06 -2.22 0.00 0.00 -0.26 0.00 0.00 57.72 55.18 1zit n HIS 82 Cb 0.58 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zit n GLY 83 N -0.32 0.62 2.12 -1.41 0.00 -1.26 -3.89 105.19 101.05 1zit n GLY 83 Ca -0.07 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 2.57 3.77 -2.44 1.61 7.64 -1.26 -4.87 113.62 120.65 1zit n SER 84 Ca 0.00 -3.45 -0.19 0.00 1.01 0.00 0.00 58.87 56.23 1zit n SER 84 Cb 0.00 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 62.39 1zit n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1zit n VAL 85 N -0.94 -0.96 0.06 0.44 0.31 -1.25 -4.87 118.33 111.12 1zit n VAL 85 Ca 0.54 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.77 1zit n VAL 85 Cb 1.57 -2.76 -0.13 0.00 -0.91 0.00 0.00 33.84 31.60 1zit n VAL 85 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1zit h ASP 86 N -0.06 0.12 -0.28 4.52 3.58 -1.89 -3.26 116.42 119.15 1zit h ASP 86 Ca -0.46 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 56.81 1zit h ASP 86 Cb 1.34 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 1zit h ASP 86 CO 0.54 1.12 0.06 0.00 -2.88 0.00 0.00 179.24 178.08 1zit h THR 87 N 0.02 1.18 1.00 2.25 1.03 -1.89 0.19 112.91 116.69 1zit h THR 87 Ca -0.09 -0.67 -0.05 0.00 -0.01 0.00 0.00 66.41 65.60 1zit h THR 87 Cb 1.86 0.84 0.01 0.00 -1.07 0.00 0.00 68.15 69.79 1zit h THR 87 CO 0.14 0.24 -0.48 0.00 -0.01 0.00 0.00 175.52 175.41 1zit h ALA 88 N 1.54 -1.34 0.00 0.00 0.00 -1.94 -1.19 119.26 116.34 1zit h ALA 88 Ca 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1zit h ALA 88 Cb 0.25 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1zit h ALA 88 CO 0.00 -1.25 -0.07 -0.39 0.00 0.00 0.00 179.25 177.54 1zit h VAL 89 N -1.35 0.37 -0.00 0.00 -1.51 -1.59 0.61 116.25 112.79 1zit h VAL 89 Ca -0.14 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1zit h VAL 89 Cb 1.03 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1zit h VAL 89 CO 0.22 0.07 -0.05 1.17 -1.23 0.00 0.00 177.57 177.76 1zit n LYS 90 N -3.46 0.26 0.00 5.19 4.81 0.64 -3.02 118.16 122.58 1zit n LYS 90 Ca -0.02 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1zit n LYS 90 Cb 0.21 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 -1.34 2.01 -0.11 3.14 0.00 -0.44 -4.73 120.51 119.03 1zit n ALA 91 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1zit n ALA 91 Cb 0.29 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 1.28 -0.20 0.00 3.07 0.01 -2.90 117.51 118.78 1zit h ILE 92 Ca 0.00 -1.53 0.06 0.00 1.55 0.00 0.00 64.86 64.93 1zit h ILE 92 Cb 0.84 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1zit h ILE 92 CO 0.00 0.51 0.22 0.11 -1.05 0.00 0.00 178.15 177.94 1zit h LYS 93 N 0.68 0.00 0.00 0.16 1.79 -1.71 0.19 116.57 117.68 1zit h LYS 93 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1zit h LYS 93 Cb 0.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1zit h LYS 93 CO 0.09 0.00 0.00 -0.22 -1.08 0.00 0.00 179.45 178.24 1zit h LYS 94 N 0.00 0.00 0.00 3.15 1.63 -1.76 -3.45 116.57 116.14 1zit h LYS 94 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1zit h LYS 94 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1zit h LYS 94 CO -0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1zit n GLY 95 N -0.28 -0.19 0.00 5.01 0.00 0.57 -4.90 105.19 105.40 1zit n GLY 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.23 4.61 0.00 -0.70 -4.87 120.51 118.32 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 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.37 1.55 -0.03 0.00 9.36 0.33 -4.87 117.16 121.13 1zit n TYR 97 Ca 0.00 -1.36 0.00 0.00 3.32 0.00 0.00 57.90 59.86 1zit n TYR 97 Cb 0.00 -0.54 -0.00 0.00 -0.63 0.00 0.00 39.34 38.17 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 -0.79 -0.07 -2.31 2.98 -0.00 -1.26 -4.79 120.64 114.41 1zit n GLU 98 Ca 0.35 0.05 -0.41 0.00 -0.00 0.00 0.00 57.16 57.15 1zit n GLU 98 Cb 1.14 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.44 32.49 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1zit s PHE 99 N -3.76 2.09 -0.51 -1.84 0.40 -1.26 -4.61 117.98 108.49 1zit s PHE 99 Ca 0.00 0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 56.72 1zit s PHE 99 Cb 0.00 -4.34 -0.20 0.00 0.51 0.00 0.00 43.02 38.99 1zit s PHE 99 CO 0.00 -2.14 3.38 -0.11 0.70 0.00 0.00 175.22 177.06 1zit n LEU 100 N 10.41 6.36 -4.24 -0.37 7.94 -1.26 -4.86 117.00 130.98 1zit n LEU 100 Ca 0.13 -3.59 -0.31 0.00 -1.11 0.00 0.00 56.01 51.13 1zit n LEU 100 Cb 0.50 -1.45 -0.17 0.00 0.53 0.00 0.00 43.42 42.83 1zit n LEU 100 CO 0.71 1.82 -0.56 -1.83 -1.11 0.00 0.00 177.39 176.42 1zit s GLU 101 N 1.19 2.70 0.00 1.96 -1.05 -1.26 -4.79 118.70 117.44 1zit s GLU 101 Ca 0.67 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 1zit s GLU 101 Cb 0.28 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.79 1zit s GLU 101 CO -0.03 0.30 0.00 1.17 0.95 0.00 0.00 175.26 177.65 1zit n LYS 102 N 3.18 0.00 -0.05 -4.83 4.81 -1.26 -4.95 118.16 115.06 1zit n LYS 102 Ca -0.18 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.33 1zit n LYS 102 Cb 0.52 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.91 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1zit n PRO 103 N 0.00 1.33 -1.34 1.64 -0.04 -1.26 -5.03 135.00 130.30 1zit n PRO 103 Ca 0.00 -0.50 0.17 0.00 -0.04 0.00 0.00 63.50 63.13 1zit n PRO 103 Cb 0.00 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1zit n PRO 103 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1zit n PHE 104 N -0.22 -3.46 -4.76 0.54 3.01 -1.26 -4.96 117.46 106.35 1zit n PHE 104 Ca 0.12 1.80 0.00 0.00 1.01 0.00 0.00 57.45 60.37 1zit n PHE 104 Cb 0.16 -3.14 0.00 0.00 -0.01 0.00 0.00 39.48 36.49 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1zit n SER 105 N -4.15 -4.62 -0.00 4.37 7.64 -1.26 -4.54 113.62 111.05 1zit n SER 105 Ca -0.03 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.87 1zit n SER 105 Cb 0.62 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 1zit n SER 105 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zit n VAL 106 N -1.18 0.00 -0.34 0.44 0.24 -1.26 -4.71 118.33 111.52 1zit n VAL 106 Ca 0.00 -0.35 0.04 0.00 -2.04 0.00 0.00 64.34 61.99 1zit n VAL 106 Cb 0.00 0.89 0.12 0.00 -1.47 0.00 0.00 33.84 33.38 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 0.00 -0.00 -0.34 7.34 4.81 -1.86 1.50 114.58 126.03 1zit h GLU 107 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1zit h GLU 107 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1zit h GLU 107 CO 0.00 -0.00 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.05 1zit h ARG 108 N -0.00 0.59 -0.07 1.92 1.12 -1.85 -1.74 114.38 114.35 1zit h ARG 108 Ca 0.44 -0.19 0.02 0.00 -1.11 0.00 0.00 59.98 59.15 1zit h ARG 108 Cb 0.68 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1zit h ARG 108 CO -0.98 0.71 0.10 0.35 -3.11 0.00 0.00 179.97 177.05 1zit h PHE 109 N 0.54 0.00 -0.09 2.20 3.04 0.18 -1.99 116.94 120.81 1zit h PHE 109 Ca 0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1zit h PHE 109 Cb 0.55 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 1zit h PHE 109 CO 0.02 0.00 0.06 1.25 -2.02 0.00 0.00 178.31 177.62 1zit h LEU 110 N 0.00 0.11 0.33 0.59 6.46 -0.13 -1.74 115.31 120.92 1zit h LEU 110 Ca 0.03 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1zit h LEU 110 Cb 0.23 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1zit h LEU 110 CO -0.00 0.09 -0.33 -0.07 -0.62 0.00 0.00 178.44 177.51 1zit h LEU 111 N 0.11 -0.89 0.24 2.25 4.07 -1.48 -3.12 115.31 116.49 1zit h LEU 111 Ca 0.03 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.08 1zit h LEU 111 Cb 0.00 0.30 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 1zit h LEU 111 CO -0.01 -0.47 -0.43 0.74 -1.08 0.00 0.00 178.44 177.20 1zit h THR 112 N -0.69 0.14 -0.42 0.22 2.02 -1.57 -3.04 112.91 109.57 1zit h THR 112 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1zit h THR 112 Cb 0.63 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1zit h THR 112 CO -0.06 0.00 -0.25 -0.38 0.37 0.00 0.00 175.52 175.20 1zit n ILE 113 N -5.49 -0.29 0.02 3.11 2.08 -0.66 0.14 119.36 118.28 1zit n ILE 113 Ca -0.09 1.26 -0.15 0.00 0.56 0.00 0.00 62.75 64.33 1zit n ILE 113 Cb 0.40 -1.58 -0.09 0.00 -0.75 0.00 0.00 39.64 37.62 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 -0.58 -0.61 0.38 3.11 -1.53 0.48 116.57 117.83 1zit h LYS 114 Ca 0.07 0.04 0.18 0.00 -2.81 0.00 0.00 60.65 58.12 1zit h LYS 114 Cb 0.17 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 1zit h LYS 114 CO -0.40 -0.38 0.50 1.25 -2.81 0.00 0.00 179.45 177.61 1zit h HIS 115 N -0.60 0.00 -0.10 1.91 2.76 0.34 0.35 115.15 119.81 1zit h HIS 115 Ca 0.04 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 1zit h HIS 115 Cb 0.69 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1zit h HIS 115 CO -0.53 0.00 -0.49 0.00 -1.30 0.00 0.00 177.93 175.60 1zit h ALA 116 N 1.57 0.99 0.51 5.26 0.00 0.61 -1.22 119.26 126.98 1zit h ALA 116 Ca 0.29 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1zit h ALA 116 Cb 1.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1zit h ALA 116 CO -0.00 0.65 -0.25 0.74 0.00 0.00 0.00 179.25 180.39 1zit h PHE 117 N 0.20 -0.64 -0.87 0.00 0.04 0.10 -2.07 116.94 113.70 1zit h PHE 117 Ca 0.01 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1zit h PHE 117 Cb 0.94 0.21 -0.04 0.00 2.20 0.00 0.00 35.95 39.26 1zit h PHE 117 CO 0.02 -0.40 0.56 0.93 -0.60 0.00 0.00 178.31 178.82 1zit h GLU 118 N -1.08 1.16 0.00 1.51 5.08 -1.59 0.65 114.58 120.31 1zit h GLU 118 Ca -0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1zit h GLU 118 Cb 0.53 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1zit h GLU 118 CO 0.12 0.78 0.00 0.39 -1.00 0.00 0.00 179.01 179.30 1zit n GLU 119 N -4.46 0.10 -2.72 2.33 -0.58 -0.46 -3.28 120.64 111.58 1zit n GLU 119 Ca 0.09 0.16 -0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1zit n GLU 119 Cb 0.03 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.46 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 -1.42 0.46 0.45 -0.32 4.19 -0.41 -5.03 117.16 115.08 1zit n TYR 120 Ca 0.06 -1.95 0.04 0.00 3.31 0.00 0.00 57.90 59.35 1zit n TYR 120 Cb 0.19 0.18 0.21 0.00 0.49 0.00 0.00 39.34 40.40 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64