#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 -3.71 -5.22 3.17 4.76 -1.26 -4.36 118.16 111.54 1zit n LYS 2 Ca 0.00 2.89 -0.30 0.00 -2.87 0.00 0.00 58.31 58.03 1zit n LYS 2 Cb 0.00 -4.39 -0.16 0.00 -1.84 0.00 0.00 35.03 28.64 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1zit s ARG 3 N -0.83 1.98 0.16 1.97 1.81 -1.26 -0.96 118.95 121.82 1zit s ARG 3 Ca -0.17 -0.87 0.06 0.00 -1.72 0.00 0.00 55.73 53.03 1zit s ARG 3 Cb 0.01 -1.92 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 1zit s ARG 3 CO 0.65 0.53 -0.13 0.08 -0.68 0.00 0.00 175.30 175.74 1zit s VAL 4 N -0.57 1.47 -0.10 3.52 1.01 -1.19 -3.57 120.40 120.97 1zit s VAL 4 Ca 0.09 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 60.09 1zit s VAL 4 Cb -0.09 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1zit s VAL 4 CO -0.01 -0.56 -0.19 -0.22 0.00 0.00 0.00 175.10 174.12 1zit s LEU 5 N -2.98 2.40 -0.60 3.92 2.96 0.23 -0.89 118.68 123.74 1zit s LEU 5 Ca 0.16 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1zit s LEU 5 Cb -0.01 -1.50 0.15 0.00 0.50 0.00 0.00 46.19 45.33 1zit s LEU 5 CO 0.04 0.19 0.38 -0.69 -1.32 0.00 0.00 176.35 174.95 1zit s VAL 6 N 0.16 3.24 -0.63 1.68 1.01 -1.26 0.13 120.40 124.72 1zit s VAL 6 Ca -0.10 -3.20 -0.26 0.00 0.00 0.00 0.00 61.98 58.42 1zit s VAL 6 Cb -0.16 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1zit s VAL 6 CO 0.06 -0.86 1.12 -0.69 0.00 0.00 0.00 175.10 174.73 1zit s VAL 7 N -0.27 4.07 -0.02 2.92 1.01 0.27 0.57 120.40 128.96 1zit s VAL 7 Ca 0.18 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1zit s VAL 7 Cb -0.22 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.43 1zit s VAL 7 CO -0.03 -1.46 -0.07 -0.62 0.00 0.00 0.00 175.10 172.92 1zit s ASP 8 N 3.29 0.96 -0.33 3.32 2.15 -1.18 0.76 116.67 125.63 1zit s ASP 8 Ca 0.34 -0.15 -0.04 0.00 0.43 0.00 0.00 52.55 53.13 1zit s ASP 8 Cb -0.10 -0.20 0.01 0.00 -0.30 0.00 0.00 42.92 42.33 1zit s ASP 8 CO 0.18 0.07 2.85 -0.67 -0.17 0.00 0.00 175.17 177.43 1zit n ASP 9 N 3.14 6.19 -3.95 -0.34 2.03 -1.00 -3.87 116.55 118.75 1zit n ASP 9 Ca -0.16 -3.02 0.04 0.00 0.52 0.00 0.00 54.79 52.17 1zit n ASP 9 Cb 0.56 -1.25 0.01 0.00 -0.72 0.00 0.00 41.12 39.72 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 -1.12 0.12 -0.55 -0.67 -6.30 -1.26 -4.68 118.70 104.24 1zit s GLU 10 Ca 0.56 -0.08 0.04 0.00 -2.50 0.00 0.00 54.97 53.00 1zit s GLU 10 Cb 0.35 0.03 0.14 0.00 0.00 0.00 0.00 34.13 34.64 1zit s GLU 10 CO -0.15 -0.05 0.30 -1.21 0.02 0.00 0.00 175.26 174.16 1zit s GLU 11 N -2.01 2.06 0.00 4.30 0.41 -1.26 -4.76 118.70 117.44 1zit s GLU 11 Ca 0.31 -2.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.14 1zit s GLU 11 Cb 0.00 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 1zit s GLU 11 CO -0.03 -1.14 0.00 0.43 -0.49 0.00 0.00 175.26 174.04 1zit n SER 12 N 2.95 0.00 0.07 -0.19 7.64 -1.26 -4.92 113.62 117.90 1zit n SER 12 Ca 0.07 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.74 1zit n SER 12 Cb 0.33 0.18 -0.15 0.00 -1.01 0.00 0.00 64.21 63.56 1zit n SER 12 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1zit h ILE 13 N 0.00 1.47 0.00 0.44 1.08 -2.00 -3.25 117.51 115.24 1zit h ILE 13 Ca 0.00 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 1zit h ILE 13 Cb 0.00 3.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1zit h ILE 13 CO 0.00 0.73 0.00 0.71 -0.69 0.00 0.00 178.15 178.90 1zit h THR 14 N -0.26 0.00 0.17 -0.27 1.35 -1.92 0.46 112.91 112.44 1zit h THR 14 Ca -0.16 -0.01 -0.23 0.00 -0.55 0.00 0.00 66.41 65.46 1zit h THR 14 Cb 1.73 0.71 0.03 0.00 -1.73 0.00 0.00 68.15 68.88 1zit h THR 14 CO 0.18 0.00 -1.00 0.28 -0.25 0.00 0.00 175.52 174.72 1zit h SER 15 N 0.00 0.57 0.00 5.36 0.02 -1.91 -3.29 113.55 114.30 1zit h SER 15 Ca 0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1zit h SER 15 Cb 0.01 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1zit h SER 15 CO 0.00 1.48 -0.85 -1.20 -1.14 0.00 0.00 176.83 175.12 1zit n SER 16 N -4.01 1.86 -0.21 3.07 7.64 -0.81 -3.95 113.62 117.22 1zit n SER 16 Ca -0.15 0.40 -0.02 0.00 1.01 0.00 0.00 58.87 60.12 1zit n SER 16 Cb 0.90 -0.77 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.98 -0.73 -0.26 -3.43 7.12 -0.36 0.33 115.31 117.01 1zit h LEU 17 Ca 0.00 0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.25 1zit h LEU 17 Cb 0.85 0.44 -0.04 0.00 -0.53 0.00 0.00 40.66 41.39 1zit h LEU 17 CO 0.00 -0.24 0.03 -1.28 -0.13 0.00 0.00 178.44 176.83 1zit h SER 18 N -0.05 -0.03 -0.94 1.25 0.87 -1.61 -1.62 113.55 111.43 1zit h SER 18 Ca 0.29 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1zit h SER 18 Cb 0.49 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1zit h SER 18 CO -0.66 0.02 0.62 0.00 -0.53 0.00 0.00 176.83 176.28 1zit h ALA 19 N 1.20 1.37 0.25 6.23 0.00 -1.18 -1.95 119.26 125.18 1zit h ALA 19 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1zit h ALA 19 Cb 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1zit h ALA 19 CO -0.17 0.56 -0.17 0.82 0.00 0.00 0.00 179.25 180.29 1zit h ILE 20 N 1.22 0.00 -1.09 0.00 2.04 0.47 -1.67 117.51 118.48 1zit h ILE 20 Ca 0.36 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.52 1zit h ILE 20 Cb -0.06 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.93 1zit h ILE 20 CO -0.10 0.00 0.72 -0.07 0.00 0.00 0.00 178.15 178.70 1zit h LEU 21 N -0.40 0.36 -1.80 1.44 3.38 -1.29 1.35 115.31 118.35 1zit h LEU 21 Ca -0.03 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1zit h LEU 21 Cb 0.32 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1zit h LEU 21 CO 0.03 0.04 -0.14 -0.33 0.09 0.00 0.00 178.44 178.12 1zit h GLU 22 N 0.30 0.00 0.13 1.13 5.08 -0.89 0.71 114.58 121.05 1zit h GLU 22 Ca 0.62 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.70 1zit h GLU 22 Cb 1.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.00 1zit h GLU 22 CO -0.27 0.14 -1.24 1.49 -1.00 0.00 0.00 179.01 178.13 1zit h GLU 23 N 0.00 0.29 0.00 2.33 4.81 0.27 -3.18 114.58 119.10 1zit h GLU 23 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1zit h GLU 23 Cb 0.29 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1zit h GLU 23 CO 0.02 1.23 0.00 0.39 -0.73 0.00 0.00 179.01 179.92 1zit n GLU 24 N -3.55 0.48 -0.64 1.92 -0.58 -0.73 -4.89 120.64 112.65 1zit n GLU 24 Ca -0.09 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1zit n GLU 24 Cb 1.02 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 1zit n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1zit n GLY 25 N 0.97 0.76 2.21 0.62 0.00 -0.65 -5.08 105.19 104.01 1zit n GLY 25 Ca 0.14 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.50 0.23 -3.22 1.61 4.01 0.15 -4.69 117.16 114.75 1zit n TYR 26 Ca 0.00 -1.68 -0.24 0.00 -0.16 0.00 0.00 57.90 55.82 1zit n TYR 26 Cb 0.19 -0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.64 -0.19 -1.78 -0.72 -0.00 -0.13 -4.53 115.22 107.23 1zit n HIS 27 Ca -0.06 -3.57 -0.40 0.00 0.46 0.00 0.00 57.72 54.15 1zit n HIS 27 Cb 0.40 -0.32 0.02 0.00 -0.12 0.00 0.00 29.99 29.97 1zit n HIS 27 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1zit s PRO 28 N -1.15 3.74 0.00 1.57 0.02 -1.25 -3.14 135.00 134.78 1zit s PRO 28 Ca 0.35 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1zit s PRO 28 Cb 0.16 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.97 1zit s PRO 28 CO -0.11 -0.80 0.61 -3.47 -0.33 0.00 0.00 177.00 172.90 1zit n ASP 29 N -0.10 1.19 0.00 2.53 -0.08 -0.06 -4.91 116.55 115.11 1zit n ASP 29 Ca 0.04 -1.27 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 1zit n ASP 29 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1zit n THR 30 N -0.14 0.00 -2.68 5.18 -2.24 -1.26 -4.73 114.28 108.41 1zit n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zit n THR 30 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.18 0.00 -0.01 6.98 0.00 0.19 -4.81 120.51 123.05 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 1.17 0.00 0.00 0.00 177.50 178.67 1zit n LYS 32 N -0.31 3.67 -2.17 0.00 4.81 -1.25 -3.08 118.16 119.83 1zit n LYS 32 Ca 0.00 -0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1zit n LYS 32 Cb 0.00 -1.04 0.01 0.00 0.02 0.00 0.00 35.03 34.02 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1zit n THR 33 N -2.07 0.00 -0.00 3.15 -2.24 -1.26 -2.37 114.28 109.48 1zit n THR 33 Ca -0.03 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1zit n THR 33 Cb 0.55 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.05 -0.13 3.22 3.38 -1.97 0.84 115.31 120.71 1zit h LEU 34 Ca -0.07 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1zit h LEU 34 Cb 0.33 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1zit h LEU 34 CO 0.10 0.33 0.08 0.08 0.09 0.00 0.00 178.44 179.12 1zit h ARG 35 N -0.23 0.15 -0.05 1.13 0.11 -1.99 0.57 114.38 114.07 1zit h ARG 35 Ca 0.01 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 1zit h ARG 35 Cb 0.30 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1zit h ARG 35 CO 0.00 0.10 -0.28 1.49 0.10 0.00 0.00 179.97 181.38 1zit h GLU 36 N 0.16 0.09 0.31 0.08 4.57 -1.93 -2.68 114.58 115.18 1zit h GLU 36 Ca 0.05 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1zit h GLU 36 Cb -0.01 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1zit h GLU 36 CO -0.02 0.36 -0.15 0.00 -1.18 0.00 0.00 179.01 178.03 1zit h ALA 37 N 1.64 -0.54 -1.01 2.92 0.00 0.16 -2.61 119.26 119.82 1zit h ALA 37 Ca 0.01 -0.09 0.38 0.00 0.00 0.00 0.00 54.91 55.21 1zit h ALA 37 Cb 0.54 0.16 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 1zit h ALA 37 CO 0.04 -0.51 0.56 0.93 0.00 0.00 0.00 179.25 180.27 1zit h GLU 38 N -0.82 0.12 -0.06 0.00 5.08 0.09 1.26 114.58 120.26 1zit h GLU 38 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1zit h GLU 38 Cb 0.32 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1zit h GLU 38 CO 0.07 0.08 0.02 -0.22 -1.00 0.00 0.00 179.01 177.96 1zit h LYS 39 N 0.13 0.09 -0.12 2.33 3.11 -1.52 0.99 116.57 121.59 1zit h LYS 39 Ca 0.81 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.53 1zit h LYS 39 Cb 2.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.24 1zit h LYS 39 CO -0.70 0.25 -0.36 0.87 -2.81 0.00 0.00 179.45 176.70 1zit h LYS 40 N -0.09 0.24 0.00 1.90 1.57 0.13 -2.79 116.57 117.53 1zit h LYS 40 Ca 0.02 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1zit h LYS 40 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1zit h LYS 40 CO -0.00 0.58 -0.50 0.82 -0.57 0.00 0.00 179.45 179.78 1zit h ILE 41 N 0.21 0.00 -0.34 1.86 2.04 0.13 -3.16 117.51 118.25 1zit h ILE 41 Ca 0.02 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.40 1zit h ILE 41 Cb 0.74 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1zit h ILE 41 CO 0.06 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.79 1zit h LYS 42 N 0.00 0.00 0.00 2.37 1.79 0.13 -3.28 116.57 117.58 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1zit h LYS 42 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1zit h LYS 42 CO 0.00 0.00 -0.42 0.39 -1.08 0.00 0.00 179.45 178.34 1zit n GLU 43 N -3.47 0.00 -1.81 3.15 1.02 -1.25 -5.04 120.64 113.24 1zit n GLU 43 Ca 0.06 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1zit n GLU 43 Cb 0.62 -0.44 -0.03 0.00 -0.02 0.00 0.00 31.44 31.57 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 -6.47 4.37 -1.01 -4.62 1.98 -1.19 -4.93 118.68 106.81 1zit s LEU 44 Ca 0.00 2.75 -0.16 0.00 -2.89 0.00 0.00 54.13 53.83 1zit s LEU 44 Cb 0.00 -3.59 0.17 0.00 0.66 0.00 0.00 46.19 43.43 1zit s LEU 44 CO 0.00 -0.92 1.16 0.12 -1.89 0.00 0.00 176.35 174.81 1zit s PHE 45 N 1.47 3.42 -0.24 5.38 2.19 -1.26 -4.57 117.98 124.37 1zit s PHE 45 Ca 0.74 -1.80 -0.29 0.00 0.33 0.00 0.00 56.93 55.91 1zit s PHE 45 Cb -0.47 -4.18 0.01 0.00 -1.31 0.00 0.00 43.02 37.07 1zit s PHE 45 CO 0.32 -1.34 1.08 -0.06 1.83 0.00 0.00 175.22 177.05 1zit s PHE 46 N 1.65 3.23 -0.13 10.12 0.08 -1.26 -4.91 117.98 126.76 1zit s PHE 46 Ca 0.33 1.36 0.30 0.00 0.12 0.00 0.00 56.93 59.03 1zit s PHE 46 Cb -0.05 -3.38 1.01 0.00 -0.57 0.00 0.00 43.02 40.03 1zit s PHE 46 CO -0.07 -0.71 1.85 -1.00 -0.10 0.00 0.00 175.22 175.19 1zit h PRO 47 N 7.69 0.00 -3.26 0.24 0.13 -1.85 -3.42 132.00 131.52 1zit h PRO 47 Ca -0.20 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.68 1zit h PRO 47 Cb 1.07 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.88 1zit h PRO 47 CO 0.99 0.00 -0.60 0.08 -0.23 0.00 0.00 178.00 178.24 1zit s VAL 48 N -3.49 -0.05 0.22 1.56 1.01 -1.23 0.13 120.40 118.55 1zit s VAL 48 Ca 0.03 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.30 1zit s VAL 48 Cb 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 1zit s VAL 48 CO 0.57 0.07 -0.19 -0.63 0.00 0.00 0.00 175.10 174.93 1zit s ILE 49 N 1.16 2.60 -0.27 2.22 -1.09 0.19 0.76 121.20 126.77 1zit s ILE 49 Ca -0.09 -2.06 -0.02 0.00 -2.23 0.00 0.00 60.65 56.25 1zit s ILE 49 Cb -0.11 -2.30 0.12 0.00 -1.58 0.00 0.00 42.46 38.59 1zit s ILE 49 CO -0.06 -0.21 0.27 -0.69 -1.23 0.00 0.00 174.94 173.02 1zit s VAL 50 N -1.95 -0.37 -0.89 2.92 1.01 0.35 -2.54 120.40 118.93 1zit s VAL 50 Ca 0.25 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1zit s VAL 50 Cb -0.07 -0.91 0.13 0.00 0.00 0.00 0.00 36.38 35.53 1zit s VAL 50 CO 0.13 -0.42 1.08 -0.22 0.00 0.00 0.00 175.10 175.67 1zit s LEU 51 N 2.34 5.10 -0.86 3.92 2.96 -1.26 0.97 118.68 131.86 1zit s LEU 51 Ca 0.09 -1.98 -0.25 0.00 -0.22 0.00 0.00 54.13 51.78 1zit s LEU 51 Cb -0.15 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1zit s LEU 51 CO -0.28 -1.07 1.84 -0.62 -1.32 0.00 0.00 176.35 174.90 1zit s ASP 52 N 3.56 5.37 -0.55 3.68 -1.08 0.23 -3.84 116.67 124.05 1zit s ASP 52 Ca 0.30 -0.57 -0.27 0.00 -0.52 0.00 0.00 52.55 51.50 1zit s ASP 52 Cb -0.07 -2.56 -0.25 0.00 -1.46 0.00 0.00 42.92 38.58 1zit s ASP 52 CO -0.07 -2.49 1.81 1.33 0.52 0.00 0.00 175.17 176.27 1zit n VAL 53 N 7.57 0.81 0.00 1.11 0.24 -1.25 -4.15 118.33 122.66 1zit n VAL 53 Ca 0.34 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1zit n VAL 53 Cb 0.48 -2.12 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 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 10.81 0.00 -2.72 6.34 -0.00 -1.26 -4.82 117.44 125.79 1zit n TRP 54 Ca 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.89 1zit n TRP 54 Cb 0.43 -0.10 0.09 0.00 -0.00 0.00 0.00 31.31 31.72 1zit n TRP 54 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 1zit n MET 55 N -0.81 0.86 0.00 5.87 0.00 -1.26 -5.08 117.12 116.70 1zit n MET 55 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 57.70 55.96 1zit n MET 55 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.23 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 0.63 2.23 0.00 2.12 -0.05 -1.26 -5.00 135.00 133.67 1zit n PRO 56 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.50 1zit n PRO 56 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.14 1zit n PRO 56 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1zit n ASP 57 N 0.00 2.37 -4.11 3.54 5.75 -1.26 -5.09 116.55 117.75 1zit n ASP 57 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 1zit n ASP 57 Cb 0.00 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.28 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1zit s GLY 58 N -4.03 1.73 -0.16 6.12 0.00 -1.26 -5.06 107.32 104.66 1zit s GLY 58 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 1zit s GLY 58 CO 0.00 -0.34 -0.06 0.99 0.00 0.00 0.00 173.10 173.68 1zit s ASP 59 N -4.67 4.47 0.00 1.64 1.01 -1.26 -4.99 116.67 112.87 1zit s ASP 59 Ca 0.73 -0.24 0.30 0.00 0.71 0.00 0.00 52.55 54.05 1zit s ASP 59 Cb -0.05 -1.73 1.73 0.00 1.01 0.00 0.00 42.92 43.88 1zit s ASP 59 CO 0.53 0.13 2.12 0.61 0.21 0.00 0.00 175.17 178.77 1zit n GLY 60 N 3.81 -1.04 0.49 0.21 0.00 -1.26 -3.95 105.19 103.46 1zit n GLY 60 Ca -0.18 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 0.03 0.00 1.61 2.07 -1.94 -2.95 116.25 115.07 1zit h VAL 61 Ca 0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1zit h VAL 61 Cb 0.07 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1zit h VAL 61 CO 0.00 0.00 -0.08 -0.55 0.02 0.00 0.00 177.57 176.96 1zit h ASN 62 N -1.31 0.00 -0.60 0.57 7.08 -1.92 -3.05 115.58 116.35 1zit h ASN 62 Ca -0.13 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.08 1zit h ASN 62 Cb 0.95 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.16 1zit h ASN 62 CO 0.21 0.08 0.33 0.15 -2.08 0.00 0.00 177.43 176.12 1zit h PHE 63 N 0.00 0.84 -0.98 4.14 3.57 -1.64 -2.28 116.94 120.58 1zit h PHE 63 Ca -0.00 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.77 1zit h PHE 63 Cb 0.58 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1zit h PHE 63 CO 0.00 0.59 0.83 0.82 -2.23 0.00 0.00 178.31 178.33 1zit h ILE 64 N 0.86 0.30 -0.14 1.41 2.04 -1.41 0.57 117.51 121.15 1zit h ILE 64 Ca 0.22 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.87 1zit h ILE 64 Cb 0.04 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1zit h ILE 64 CO -0.03 0.00 -0.72 -0.78 0.00 0.00 0.00 178.15 176.61 1zit h ASP 65 N 0.00 0.87 -0.75 1.72 3.58 -1.63 -2.92 116.42 117.29 1zit h ASP 65 Ca 0.47 -0.64 0.05 0.00 0.42 0.00 0.00 57.03 57.33 1zit h ASP 65 Cb 2.13 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 42.86 1zit h ASP 65 CO -0.00 1.37 0.44 0.15 -2.88 0.00 0.00 179.24 178.32 1zit h PHE 66 N 0.43 0.82 -0.67 0.28 3.04 0.04 0.91 116.94 121.80 1zit h PHE 66 Ca -0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1zit h PHE 66 Cb 1.36 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 1zit h PHE 66 CO 0.10 0.42 0.37 0.82 -2.02 0.00 0.00 178.31 178.00 1zit h ILE 67 N 0.82 1.20 0.00 1.41 5.03 -1.48 -1.40 117.51 123.10 1zit h ILE 67 Ca 0.32 -0.50 0.00 0.00 -0.12 0.00 0.00 64.86 64.57 1zit h ILE 67 Cb 0.15 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 1zit h ILE 67 CO -0.16 0.22 0.00 0.11 -0.68 0.00 0.00 178.15 177.64 1zit h LYS 68 N 0.91 0.00 -0.22 2.37 1.57 -1.12 0.64 116.57 120.73 1zit h LYS 68 Ca 0.24 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 1zit h LYS 68 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1zit h LYS 68 CO -0.04 0.00 -0.44 1.49 -0.57 0.00 0.00 179.45 179.89 1zit h GLU 69 N 0.00 0.68 -0.10 3.15 4.81 0.18 -3.14 114.58 120.16 1zit h GLU 69 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1zit h GLU 69 Cb 0.82 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1zit h GLU 69 CO 0.00 1.06 0.00 0.09 -0.73 0.00 0.00 179.01 179.43 1zit n ASN 70 N -4.19 2.54 -2.73 1.04 3.02 -0.71 -4.78 115.26 109.45 1zit n ASN 70 Ca -0.06 -2.44 -0.07 0.00 -0.03 0.00 0.00 54.58 51.98 1zit n ASN 70 Cb 0.56 -0.24 0.07 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.56 -2.45 0.28 6.41 7.64 0.22 -4.88 113.62 120.29 1zit n SER 71 Ca 0.10 -3.05 0.18 0.00 1.01 0.00 0.00 58.87 57.11 1zit n SER 71 Cb 0.48 1.63 0.75 0.00 -1.01 0.00 0.00 64.21 66.06 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 3.58 0.00 -0.88 1.43 0.11 -1.66 -2.78 132.00 131.80 1zit h PRO 72 Ca -0.16 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.40 1zit h PRO 72 Cb 1.08 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.91 1zit h PRO 72 CO 0.19 0.01 0.48 -3.47 -0.21 0.00 0.00 178.00 175.00 1zit n ASP 73 N -3.11 5.49 0.00 -2.05 -0.08 -1.26 -4.95 116.55 110.59 1zit n ASP 73 Ca 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 54.79 49.55 1zit n ASP 73 Cb 0.28 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 42.92 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 -0.99 0.83 -3.69 1.67 2.88 -1.05 -4.74 113.62 108.53 1zit n SER 74 Ca 0.56 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.97 1zit n SER 74 Cb 1.05 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.42 1zit n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1zit s VAL 75 N 1.70 -0.00 -0.36 2.46 1.01 0.34 -4.86 120.40 120.69 1zit s VAL 75 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1zit s VAL 75 Cb 0.00 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.75 1zit s VAL 75 CO 0.00 0.01 0.10 -0.69 0.00 0.00 0.00 175.10 174.52 1zit s VAL 76 N 0.53 2.65 -0.15 2.92 1.01 -1.26 0.55 120.40 126.65 1zit s VAL 76 Ca -0.02 -2.22 -0.24 0.00 0.00 0.00 0.00 61.98 59.50 1zit s VAL 76 Cb -0.04 -2.89 -0.22 0.00 0.00 0.00 0.00 36.38 33.23 1zit s VAL 76 CO -0.03 -0.62 0.54 0.40 0.00 0.00 0.00 175.10 175.40 1zit h ILE 77 N 6.52 1.38 -5.50 2.22 1.08 -1.81 0.96 117.51 122.37 1zit h ILE 77 Ca -0.08 -2.16 0.00 0.00 -0.39 0.00 0.00 64.86 62.24 1zit h ILE 77 Cb 1.03 2.73 -0.06 0.00 -3.07 0.00 0.00 36.82 37.46 1zit h ILE 77 CO 0.58 0.47 -1.01 0.52 -0.69 0.00 0.00 178.15 178.02 1zit n VAL 78 N -4.58 -8.42 -1.87 1.67 0.31 -1.26 -4.28 118.33 99.90 1zit n VAL 78 Ca -0.14 1.62 0.00 0.00 -0.01 0.00 0.00 64.34 65.81 1zit n VAL 78 Cb 0.48 -5.18 0.00 0.00 -0.91 0.00 0.00 33.84 28.23 1zit n VAL 78 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1zit n ILE 79 N 1.66 0.00 -1.42 2.52 5.41 -1.25 -4.19 119.36 122.09 1zit n ILE 79 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1zit n ILE 79 Cb 0.34 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.88 1zit n ILE 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1zit n THR 80 N 0.00 -7.38 -3.70 1.39 -1.04 -1.26 -3.82 114.28 98.47 1zit n THR 80 Ca 0.00 1.54 -0.14 0.00 -2.04 0.00 0.00 64.05 63.41 1zit n THR 80 Cb 0.00 -4.04 -0.09 0.00 -1.82 0.00 0.00 70.33 64.38 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 -0.26 -0.32 0.00 3.41 0.00 -1.26 -4.59 107.32 104.30 1zit s GLY 81 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1zit s GLY 81 CO 0.00 0.78 0.00 1.42 0.00 0.00 0.00 173.10 175.30 1zit n HIS 82 N 2.02 0.00 -2.69 1.90 8.25 -1.26 -4.98 115.22 118.46 1zit n HIS 82 Ca -0.17 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.24 1zit n HIS 82 Cb 0.57 -0.02 0.12 0.00 1.12 0.00 0.00 29.99 31.78 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 2.39 1.62 3.40 -1.41 0.00 -1.26 -5.13 105.19 104.81 1zit n GLY 83 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1zit n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zit s SER 84 N -1.20 -0.54 -0.54 1.61 0.01 -1.26 -5.05 113.70 106.73 1zit s SER 84 Ca 0.17 1.03 0.01 0.00 1.31 0.00 0.00 55.95 58.47 1zit s SER 84 Cb 0.42 1.02 0.45 0.00 0.21 0.00 0.00 66.02 68.12 1zit s SER 84 CO -0.10 -0.18 1.74 0.52 0.41 0.00 0.00 173.24 175.63 1zit n VAL 85 N 3.04 3.25 -0.04 3.43 0.31 -1.26 -4.45 118.33 122.61 1zit n VAL 85 Ca -0.15 -3.38 0.01 0.00 -0.01 0.00 0.00 64.34 60.81 1zit n VAL 85 Cb 0.56 -1.15 -0.12 0.00 -0.91 0.00 0.00 33.84 32.22 1zit n VAL 85 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1zit n ASP 86 N -0.85 1.26 0.11 4.52 5.68 -1.26 -4.17 116.55 121.84 1zit n ASP 86 Ca 0.56 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.63 1zit n ASP 86 Cb 0.77 1.34 -0.15 0.00 -1.14 0.00 0.00 41.12 41.94 1zit n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zit h THR 87 N 0.00 1.17 0.52 2.12 1.03 -1.98 -3.01 112.91 112.76 1zit h THR 87 Ca -0.19 -2.70 -0.02 0.00 -0.01 0.00 0.00 66.41 63.50 1zit h THR 87 Cb 1.30 2.90 -0.01 0.00 -1.07 0.00 0.00 68.15 71.26 1zit h THR 87 CO 0.01 0.84 -0.38 0.00 -0.01 0.00 0.00 175.52 175.98 1zit h ALA 88 N 0.24 -0.91 -0.18 0.00 0.00 -1.84 -0.76 119.26 115.82 1zit h ALA 88 Ca -0.27 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1zit h ALA 88 Cb 2.10 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 20.39 1zit h ALA 88 CO 0.22 -1.03 0.14 -0.39 0.00 0.00 0.00 179.25 178.18 1zit h VAL 89 N -0.87 0.81 0.00 0.00 -1.51 -1.73 1.10 116.25 114.05 1zit h VAL 89 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1zit h VAL 89 Cb 0.74 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1zit h VAL 89 CO 0.02 0.00 0.00 0.50 -1.23 0.00 0.00 177.57 176.86 1zit h LYS 90 N 0.00 0.00 0.00 5.19 3.64 -1.20 -2.50 116.57 121.70 1zit h LYS 90 Ca 0.08 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1zit h LYS 90 Cb 0.36 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1zit h LYS 90 CO -0.00 0.00 -1.58 0.00 -2.27 0.00 0.00 179.45 175.60 1zit n ALA 91 N -1.85 1.79 0.10 5.00 0.00 0.18 -4.52 120.51 121.21 1zit n ALA 91 Ca 0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1zit n ALA 91 Cb 0.43 0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 1.49 -0.11 0.00 3.07 0.10 -3.24 117.51 118.82 1zit h ILE 92 Ca -0.23 -2.97 -0.03 0.00 1.55 0.00 0.00 64.86 63.19 1zit h ILE 92 Cb 1.45 2.86 -0.01 0.00 -0.27 0.00 0.00 36.82 40.86 1zit h ILE 92 CO -0.01 0.87 -0.05 0.50 -1.05 0.00 0.00 178.15 178.41 1zit h LYS 93 N 0.10 0.16 0.59 0.16 3.64 -1.60 -2.94 116.57 116.66 1zit h LYS 93 Ca -0.12 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1zit h LYS 93 Cb 1.90 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.70 1zit h LYS 93 CO 0.20 0.22 -0.28 0.87 -2.27 0.00 0.00 179.45 178.19 1zit h LYS 94 N 0.15 -0.76 0.00 1.90 1.57 -1.78 -3.46 116.57 114.20 1zit h LYS 94 Ca 0.04 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1zit h LYS 94 Cb 0.19 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1zit h LYS 94 CO 0.01 -0.51 -0.01 0.41 -0.57 0.00 0.00 179.45 178.78 1zit n GLY 95 N -0.82 -0.58 0.00 3.86 0.00 -1.18 -5.12 105.19 101.35 1zit n GLY 95 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 0.00 -1.36 4.61 0.00 -1.12 -4.66 120.51 117.96 1zit n ALA 96 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1zit n ALA 96 Cb 0.34 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.00 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -0.79 0.82 -0.34 0.00 9.36 0.33 -4.82 117.16 121.71 1zit n TYR 97 Ca 0.00 -1.41 0.00 0.00 3.32 0.00 0.00 57.90 59.81 1zit n TYR 97 Cb 0.00 -0.40 0.00 0.00 -0.63 0.00 0.00 39.34 38.31 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -1.04 -0.97 -1.95 2.98 -0.00 -1.26 -4.84 120.64 113.55 1zit n GLU 98 Ca 0.28 0.73 -0.42 0.00 -0.00 0.00 0.00 57.16 57.74 1zit n GLU 98 Cb 0.93 -0.84 -0.03 0.00 -0.00 0.00 0.00 31.44 31.50 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 -2.67 1.84 0.18 -1.84 0.40 -1.26 -4.79 117.98 109.84 1zit s PHE 99 Ca 0.00 0.18 -0.32 0.00 -0.60 0.00 0.00 56.93 56.19 1zit s PHE 99 Cb 0.00 -3.98 -0.12 0.00 0.51 0.00 0.00 43.02 39.43 1zit s PHE 99 CO 0.00 -3.96 1.72 -0.11 0.70 0.00 0.00 175.22 173.57 1zit n LEU 100 N 7.76 3.86 0.13 -0.37 -0.00 -1.26 -4.93 117.00 122.18 1zit n LEU 100 Ca 0.19 1.05 -0.05 0.00 -0.00 0.00 0.00 56.01 57.20 1zit n LEU 100 Cb 0.43 -1.54 -0.02 0.00 -0.00 0.00 0.00 43.42 42.28 1zit n LEU 100 CO 0.64 0.11 0.47 -0.33 -0.00 0.00 0.00 177.39 178.27 1zit h GLU 101 N 6.94 -0.32 -5.50 1.96 5.08 -1.98 -3.46 114.58 117.30 1zit h GLU 101 Ca -0.44 0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 57.67 1zit h GLU 101 Cb 1.21 0.07 0.19 0.00 0.50 0.00 0.00 28.75 30.73 1zit h GLU 101 CO 0.95 -0.21 -0.84 1.17 -1.00 0.00 0.00 179.01 179.08 1zit n LYS 102 N -2.95 -3.40 -0.00 2.33 0.00 -1.26 -4.89 118.16 107.98 1zit n LYS 102 Ca -0.04 0.86 0.13 0.00 0.00 0.00 0.00 58.31 59.26 1zit n LYS 102 Cb 0.13 -5.85 0.75 0.00 0.00 0.00 0.00 35.03 30.07 1zit n LYS 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zit n PRO 103 N -3.47 1.02 0.09 1.64 -0.04 -1.26 -4.36 135.00 128.62 1zit n PRO 103 Ca -0.13 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1zit n PRO 103 Cb 0.63 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.86 -1.24 -3.92 0.54 7.35 -1.26 -5.17 117.46 112.90 1zit n PHE 104 Ca 0.19 0.22 -0.01 0.00 -0.76 0.00 0.00 57.45 57.09 1zit n PHE 104 Cb 0.10 0.34 0.02 0.00 0.35 0.00 0.00 39.48 40.28 1zit n PHE 104 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1zit s SER 105 N -5.22 0.01 0.33 -2.13 1.04 -1.26 -5.02 113.70 101.44 1zit s SER 105 Ca 0.00 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 55.98 1zit s SER 105 Cb 0.00 0.38 0.77 0.00 0.10 0.00 0.00 66.02 67.28 1zit s SER 105 CO 0.00 -0.77 1.83 1.62 0.98 0.00 0.00 173.24 176.91 1zit h VAL 106 N 2.00 0.79 -1.04 5.02 3.04 -2.01 -2.11 116.25 121.95 1zit h VAL 106 Ca -0.26 -0.26 0.40 0.00 -1.01 0.00 0.00 66.70 65.58 1zit h VAL 106 Cb 1.21 -0.02 -0.15 0.00 -2.01 0.00 0.00 31.29 30.32 1zit h VAL 106 CO 0.35 0.14 0.61 1.21 -1.01 0.00 0.00 177.57 178.86 1zit n GLU 107 N -4.63 -0.05 -0.08 4.17 2.13 -1.26 0.20 120.64 121.13 1zit n GLU 107 Ca 0.20 1.20 -0.14 0.00 0.66 0.00 0.00 57.16 59.08 1zit n GLU 107 Cb 0.51 -2.24 -0.05 0.00 0.27 0.00 0.00 31.44 29.93 1zit n GLU 107 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1zit h ARG 108 N 0.00 0.76 -0.29 5.31 9.65 -1.80 -2.99 114.38 125.01 1zit h ARG 108 Ca 0.78 -0.46 0.08 0.00 -1.10 0.00 0.00 59.98 59.28 1zit h ARG 108 Cb 2.25 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.86 1zit h ARG 108 CO -0.59 1.08 0.21 0.35 2.80 0.00 0.00 179.97 183.82 1zit h PHE 109 N 0.50 0.05 -0.64 2.20 3.57 0.22 -1.91 116.94 120.93 1zit h PHE 109 Ca 0.02 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1zit h PHE 109 Cb 1.01 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1zit h PHE 109 CO 0.08 0.03 0.41 -0.07 -2.23 0.00 0.00 178.31 176.53 1zit h LEU 110 N 0.05 0.69 -0.16 0.59 3.38 -1.20 -2.19 115.31 116.47 1zit h LEU 110 Ca 0.14 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1zit h LEU 110 Cb 0.49 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1zit h LEU 110 CO -0.01 0.49 -0.18 -0.07 0.09 0.00 0.00 178.44 178.76 1zit h LEU 111 N 0.82 -0.57 -0.91 1.67 4.07 -1.44 -2.01 115.31 116.94 1zit h LEU 111 Ca 0.25 0.10 0.02 0.00 0.08 0.00 0.00 57.88 58.33 1zit h LEU 111 Cb -0.03 0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1zit h LEU 111 CO -0.08 -0.23 0.60 0.74 -1.08 0.00 0.00 178.44 178.39 1zit h THR 112 N -0.21 1.21 -0.13 0.22 2.02 -1.58 -3.02 112.91 111.42 1zit h THR 112 Ca 0.11 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.91 1zit h THR 112 Cb 0.37 -0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 1zit h THR 112 CO -0.28 0.22 -0.44 0.40 0.37 0.00 0.00 175.52 175.78 1zit h ILE 113 N 1.21 0.11 -0.09 3.11 1.08 -0.73 0.50 117.51 122.71 1zit h ILE 113 Ca 0.34 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.83 1zit h ILE 113 Cb -0.10 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.72 1zit h ILE 113 CO -0.09 0.00 -0.36 0.50 -0.69 0.00 0.00 178.15 177.51 1zit h LYS 114 N -0.51 -0.37 -0.68 2.37 3.11 -1.37 0.47 116.57 119.59 1zit h LYS 114 Ca 0.07 0.03 0.20 0.00 -2.81 0.00 0.00 60.65 58.13 1zit h LYS 114 Cb 0.64 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 1zit h LYS 114 CO -0.41 -0.25 0.61 1.25 -2.81 0.00 0.00 179.45 177.84 1zit h HIS 115 N -0.39 0.00 -0.57 1.91 2.76 -1.38 0.38 115.15 117.86 1zit h HIS 115 Ca 0.02 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 1zit h HIS 115 Cb 0.45 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1zit h HIS 115 CO -0.54 0.00 -0.07 0.00 -1.30 0.00 0.00 177.93 176.02 1zit h ALA 116 N 1.42 0.78 -0.00 5.26 0.00 0.48 0.96 119.26 128.16 1zit h ALA 116 Ca 0.32 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1zit h ALA 116 Cb 1.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1zit h ALA 116 CO -0.00 0.68 -0.59 0.74 0.00 0.00 0.00 179.25 180.07 1zit h PHE 117 N 0.95 0.00 0.11 0.00 -1.00 0.91 -2.58 116.94 115.34 1zit h PHE 117 Ca 0.15 -0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.59 1zit h PHE 117 Cb 0.65 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1zit h PHE 117 CO 0.04 0.60 -1.83 0.93 -1.61 0.00 0.00 178.31 176.44 1zit h GLU 118 N 0.00 0.24 0.00 1.51 4.39 -1.16 -3.09 114.58 116.47 1zit h GLU 118 Ca -0.01 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1zit h GLU 118 Cb 1.05 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1zit h GLU 118 CO 0.08 1.09 0.00 0.39 -1.16 0.00 0.00 179.01 179.41 1zit n GLU 119 N -3.42 0.37 -2.74 2.33 -0.58 0.33 -3.51 120.64 113.42 1zit n GLU 119 Ca -0.26 0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.50 1zit n GLU 119 Cb 1.05 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 30.48 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 -1.26 0.50 -0.26 -0.32 4.19 -0.97 -5.03 117.16 114.01 1zit n TYR 120 Ca 0.12 -2.33 0.00 0.00 3.31 0.00 0.00 57.90 58.99 1zit n TYR 120 Cb 0.18 0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.09 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22