#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 -3.62 -4.66 2.12 4.76 -1.26 -3.89 118.16 111.60 1zit n LYS 2 Ca 0.00 2.86 -0.33 0.00 -2.87 0.00 0.00 58.31 57.97 1zit n LYS 2 Cb 0.00 -5.20 -0.13 0.00 -1.84 0.00 0.00 35.03 27.86 1zit n LYS 2 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1zit s ARG 3 N -1.41 3.09 0.14 1.97 3.03 -1.26 -0.94 118.95 123.57 1zit s ARG 3 Ca -0.05 -0.60 0.08 0.00 2.03 0.00 0.00 55.73 57.18 1zit s ARG 3 Cb 0.00 -2.64 -0.04 0.00 -1.03 0.00 0.00 34.95 31.25 1zit s ARG 3 CO 0.76 0.44 -0.17 0.08 -1.13 0.00 0.00 175.30 175.28 1zit s VAL 4 N -0.23 1.64 -0.19 4.99 1.01 -1.20 -4.00 120.40 122.43 1zit s VAL 4 Ca 0.02 -1.78 -0.06 0.00 0.00 0.00 0.00 61.98 60.16 1zit s VAL 4 Cb -0.13 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1zit s VAL 4 CO 0.03 -0.30 0.03 -0.22 0.00 0.00 0.00 175.10 174.64 1zit s LEU 5 N -2.45 3.58 -0.71 3.92 2.96 0.84 -2.04 118.68 124.77 1zit s LEU 5 Ca 0.12 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1zit s LEU 5 Cb -0.06 -1.90 0.19 0.00 0.50 0.00 0.00 46.19 44.91 1zit s LEU 5 CO 0.05 0.13 0.58 -0.69 -1.32 0.00 0.00 176.35 175.10 1zit s VAL 6 N 0.61 4.48 -0.56 1.68 1.01 -1.26 0.11 120.40 126.46 1zit s VAL 6 Ca 0.02 -2.79 -0.25 0.00 0.00 0.00 0.00 61.98 58.96 1zit s VAL 6 Cb -0.13 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.44 1zit s VAL 6 CO 0.02 -0.94 0.99 -0.69 0.00 0.00 0.00 175.10 174.48 1zit s VAL 7 N -0.01 4.31 0.01 2.92 1.01 0.40 -0.54 120.40 128.50 1zit s VAL 7 Ca 0.18 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1zit s VAL 7 Cb -0.16 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.63 1zit s VAL 7 CO -0.06 -1.17 -0.03 -0.62 0.00 0.00 0.00 175.10 173.23 1zit s ASP 8 N 2.88 0.32 -0.51 3.32 2.15 0.15 0.69 116.67 125.68 1zit s ASP 8 Ca 0.33 -0.19 -0.04 0.00 0.43 0.00 0.00 52.55 53.09 1zit s ASP 8 Cb -0.12 0.00 0.10 0.00 -0.30 0.00 0.00 42.92 42.61 1zit s ASP 8 CO 0.20 -0.06 2.68 -0.67 -0.17 0.00 0.00 175.17 177.15 1zit n ASP 9 N 2.58 6.61 -1.80 -0.34 2.03 -1.26 -3.85 116.55 120.52 1zit n ASP 9 Ca -0.16 -3.29 0.01 0.00 0.52 0.00 0.00 54.79 51.88 1zit n ASP 9 Cb 0.58 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 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 0.69 0.02 -2.36 -0.67 4.07 -1.26 -4.65 120.64 116.48 1zit n GLU 10 Ca 0.50 -0.16 -0.15 0.00 -0.06 0.00 0.00 57.16 57.29 1zit n GLU 10 Cb 0.51 0.30 0.03 0.00 -0.06 0.00 0.00 31.44 32.22 1zit n GLU 10 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1zit n GLU 11 N -0.26 2.85 -0.13 5.31 4.71 -1.26 -4.63 120.64 127.23 1zit n GLU 11 Ca 0.02 -3.91 -0.20 0.00 -0.01 0.00 0.00 57.16 53.05 1zit n GLU 11 Cb 0.16 -2.01 -0.11 0.00 -1.01 0.00 0.00 31.44 28.47 1zit n GLU 11 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1zit n SER 12 N -0.65 2.00 -0.12 1.62 7.64 -1.26 -4.52 113.62 118.33 1zit n SER 12 Ca 0.29 -0.04 -0.19 0.00 1.01 0.00 0.00 58.87 59.94 1zit n SER 12 Cb 0.89 -0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 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 -3.46 1.52 -0.31 0.44 2.08 -1.26 -3.95 119.36 114.42 1zit n ILE 13 Ca -0.47 -0.56 0.35 0.00 0.56 0.00 0.00 62.75 62.63 1zit n ILE 13 Cb 0.96 -1.49 0.74 0.00 -0.75 0.00 0.00 39.64 39.10 1zit n ILE 13 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1zit h THR 14 N -0.07 0.36 0.07 1.39 1.35 -1.84 0.43 112.91 114.60 1zit h THR 14 Ca -0.57 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.05 1zit h THR 14 Cb 1.89 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1zit h THR 14 CO -0.10 0.00 -1.24 0.28 -0.25 0.00 0.00 175.52 174.21 1zit h SER 15 N 0.00 0.24 0.05 5.36 0.02 -1.79 -3.26 113.55 114.16 1zit h SER 15 Ca 0.56 -0.79 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1zit h SER 15 Cb 2.31 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.77 1zit h SER 15 CO -0.01 1.53 -0.02 0.77 -1.14 0.00 0.00 176.83 177.96 1zit h SER 16 N -0.54 -0.05 -0.93 3.07 4.64 -1.19 -3.04 113.55 115.50 1zit h SER 16 Ca -0.29 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.31 1zit h SER 16 Cb 1.57 0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.53 1zit h SER 16 CO -0.02 0.01 0.35 0.25 -0.87 0.00 0.00 176.83 176.56 1zit h LEU 17 N -0.16 0.17 -0.65 5.97 7.12 -0.50 0.47 115.31 127.74 1zit h LEU 17 Ca -0.01 0.20 0.05 0.00 0.13 0.00 0.00 57.88 58.26 1zit h LEU 17 Cb 0.05 0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 40.36 1zit h LEU 17 CO 0.01 -0.17 0.36 0.28 -0.13 0.00 0.00 178.44 178.80 1zit h SER 18 N 0.23 0.55 -0.90 1.25 0.02 -1.60 -1.03 113.55 112.07 1zit h SER 18 Ca 0.63 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.65 1zit h SER 18 Cb 1.35 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 1zit h SER 18 CO -0.66 0.36 0.59 0.00 -1.14 0.00 0.00 176.83 175.98 1zit h ALA 19 N 1.33 1.45 0.74 3.77 0.00 0.04 -2.31 119.26 124.28 1zit h ALA 19 Ca 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1zit h ALA 19 Cb 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1zit h ALA 19 CO -0.17 0.45 -0.37 0.82 0.00 0.00 0.00 179.25 179.99 1zit h ILE 20 N 1.10 0.25 -0.98 0.00 2.04 -0.62 -2.26 117.51 117.05 1zit h ILE 20 Ca 0.36 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.48 1zit h ILE 20 Cb 0.06 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 1zit h ILE 20 CO -0.12 0.00 0.67 -0.07 0.00 0.00 0.00 178.15 178.63 1zit h LEU 21 N -1.01 0.26 -1.65 1.44 3.38 -1.10 0.97 115.31 117.60 1zit h LEU 21 Ca -0.10 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1zit h LEU 21 Cb 0.78 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1zit h LEU 21 CO 0.16 0.08 -0.16 -0.33 0.09 0.00 0.00 178.44 178.27 1zit h GLU 22 N 0.25 0.00 0.10 1.13 5.08 -0.86 -0.27 114.58 120.01 1zit h GLU 22 Ca 0.51 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.60 1zit h GLU 22 Cb 1.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.82 1zit h GLU 22 CO -0.15 0.16 -1.18 1.49 -1.00 0.00 0.00 179.01 178.33 1zit h GLU 23 N 0.00 0.41 0.00 2.33 4.81 0.13 -3.21 114.58 119.05 1zit h GLU 23 Ca -0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1zit h GLU 23 Cb 0.48 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1zit h GLU 23 CO 0.02 1.24 0.00 0.93 -0.73 0.00 0.00 179.01 180.47 1zit h GLU 24 N 0.16 0.00 -0.90 1.92 3.07 -1.00 -3.48 114.58 114.36 1zit h GLU 24 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1zit h GLU 24 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1zit h GLU 24 CO 0.21 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.23 1zit n GLY 25 N 0.95 0.61 0.86 -3.84 0.00 -0.27 -5.11 105.19 98.38 1zit n GLY 25 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.45 -0.96 -3.28 1.61 4.02 -0.28 -4.59 117.16 113.24 1zit n TYR 26 Ca 0.00 -0.54 -0.25 0.00 -0.01 0.00 0.00 57.90 57.10 1zit n TYR 26 Cb 0.20 -0.10 -0.07 0.00 -0.02 0.00 0.00 39.34 39.35 1zit n TYR 26 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1zit n HIS 27 N -0.69 1.39 -1.90 -0.72 8.25 -0.11 -4.76 115.22 116.69 1zit n HIS 27 Ca -0.01 -3.82 -0.39 0.00 -0.26 0.00 0.00 57.72 53.23 1zit n HIS 27 Cb 0.14 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 30.82 1zit n HIS 27 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1zit s PRO 28 N -1.81 3.72 0.00 -0.41 0.02 -1.26 -3.20 135.00 132.06 1zit s PRO 28 Ca 0.38 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1zit s PRO 28 Cb 0.17 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1zit s PRO 28 CO -0.07 -0.74 0.03 -3.47 -0.33 0.00 0.00 177.00 172.42 1zit n ASP 29 N -0.19 0.06 -0.59 2.53 2.03 -0.87 -4.93 116.55 114.59 1zit n ASP 29 Ca 0.05 -0.40 0.02 0.00 0.52 0.00 0.00 54.79 54.98 1zit n ASP 29 Cb 0.43 0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 41.43 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 -0.61 -0.06 -3.63 5.18 -2.24 -1.26 -4.84 114.28 106.82 1zit n THR 30 Ca 0.00 0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 1zit n THR 30 Cb 0.01 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1zit n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zit s ALA 31 N -4.24 -2.02 1.00 6.98 0.00 0.30 -4.64 121.76 119.15 1zit s ALA 31 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1zit s ALA 31 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1zit s ALA 31 CO 0.00 -0.23 0.00 1.63 0.00 0.00 0.00 175.76 177.16 1zit n LYS 32 N 1.67 0.01 -1.08 0.00 5.02 -1.26 0.32 118.16 122.83 1zit n LYS 32 Ca -0.11 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 1zit n LYS 32 Cb 0.57 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.65 1zit n LYS 32 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zit n THR 33 N -1.54 0.73 -0.12 -0.18 -2.24 -1.25 -3.43 114.28 106.25 1zit n THR 33 Ca 0.00 -0.38 0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1zit n THR 33 Cb 0.00 -0.46 0.17 0.00 -2.10 0.00 0.00 70.33 67.94 1zit n THR 33 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1zit n LEU 34 N 0.61 0.05 0.08 3.22 4.77 -1.26 0.78 117.00 125.24 1zit n LEU 34 Ca 0.06 0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 56.50 1zit n LEU 34 Cb 0.52 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1zit n LEU 34 CO 0.51 -0.66 0.52 -0.09 -1.33 0.00 0.00 177.39 176.35 1zit h ARG 35 N 0.00 -0.67 -0.57 3.23 2.43 -2.00 0.95 114.38 117.76 1zit h ARG 35 Ca 0.27 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1zit h ARG 35 Cb 0.66 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1zit h ARG 35 CO -0.31 -0.45 -0.01 1.49 -1.51 0.00 0.00 179.97 179.18 1zit h GLU 36 N -0.69 0.99 0.96 0.20 4.57 0.14 -2.76 114.58 118.00 1zit h GLU 36 Ca 0.01 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 1zit h GLU 36 Cb 0.73 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1zit h GLU 36 CO -0.33 0.99 -0.46 0.00 -1.18 0.00 0.00 179.01 178.02 1zit h ALA 37 N 1.06 -1.34 -0.94 2.92 0.00 -0.63 -0.53 119.26 119.80 1zit h ALA 37 Ca 0.16 -0.28 0.27 0.00 0.00 0.00 0.00 54.91 55.06 1zit h ALA 37 Cb 0.55 0.50 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1zit h ALA 37 CO 0.03 -1.25 0.41 0.93 0.00 0.00 0.00 179.25 179.38 1zit h GLU 38 N -1.30 0.29 0.27 0.00 5.08 0.90 1.02 114.58 120.85 1zit h GLU 38 Ca -0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1zit h GLU 38 Cb 0.99 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1zit h GLU 38 CO 0.22 0.20 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.07 1zit h LYS 39 N 0.30 -0.35 -0.39 2.33 3.11 -1.19 1.18 116.57 121.56 1zit h LYS 39 Ca 0.63 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.47 1zit h LYS 39 Cb 1.34 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.63 1zit h LYS 39 CO -0.61 -0.20 0.12 0.87 -2.81 0.00 0.00 179.45 176.82 1zit h LYS 40 N -0.40 0.57 -0.01 1.90 1.57 0.13 -1.99 116.57 118.35 1zit h LYS 40 Ca -0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1zit h LYS 40 Cb 0.31 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1zit h LYS 40 CO 0.06 0.50 -0.31 -0.89 -0.57 0.00 0.00 179.45 178.24 1zit n ILE 41 N -4.35 0.00 0.24 1.86 5.41 0.31 -3.14 119.36 119.69 1zit n ILE 41 Ca 0.02 -0.08 0.15 0.00 1.00 0.00 0.00 62.75 63.84 1zit n ILE 41 Cb 0.17 0.30 0.77 0.00 -0.71 0.00 0.00 39.64 40.17 1zit n ILE 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1zit h LYS 42 N 0.79 0.00 0.00 0.38 3.64 0.22 -3.35 116.57 118.26 1zit h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zit h LYS 42 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1zit h LYS 42 CO 0.00 0.00 -0.28 0.39 -2.27 0.00 0.00 179.45 177.29 1zit n GLU 43 N -2.54 0.00 -1.70 1.90 1.02 -1.25 -5.07 120.64 113.00 1zit n GLU 43 Ca -0.01 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.69 1zit n GLU 43 Cb 0.08 -0.18 -0.03 0.00 -0.02 0.00 0.00 31.44 31.29 1zit n GLU 43 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1zit n LEU 44 N -2.85 3.58 -3.73 -4.62 7.99 -1.19 -4.90 117.00 111.29 1zit n LEU 44 Ca 0.00 1.12 -0.41 0.00 -0.01 0.00 0.00 56.01 56.71 1zit n LEU 44 Cb 0.14 -1.49 0.01 0.00 -0.11 0.00 0.00 43.42 41.96 1zit n LEU 44 CO 0.00 -0.17 1.64 0.33 -1.51 0.00 0.00 177.39 177.67 1zit n PHE 45 N 2.56 2.61 -1.69 -1.77 7.35 -1.26 -4.67 117.46 120.58 1zit n PHE 45 Ca 0.12 -2.65 -0.44 0.00 -0.76 0.00 0.00 57.45 53.73 1zit n PHE 45 Cb 0.33 -1.45 -0.04 0.00 0.35 0.00 0.00 39.48 38.68 1zit n PHE 45 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1zit n PHE 46 N 1.18 2.52 0.20 -5.13 3.72 -1.26 -4.87 117.46 113.82 1zit n PHE 46 Ca 0.44 -0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.86 1zit n PHE 46 Cb 0.29 -2.69 0.36 0.00 -0.94 0.00 0.00 39.48 36.50 1zit n PHE 46 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1zit h PRO 47 N 8.23 0.00 -3.48 -1.08 0.13 -1.89 -3.43 132.00 130.48 1zit h PRO 47 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 1zit h PRO 47 Cb 1.23 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 1zit h PRO 47 CO 0.94 0.30 -0.66 0.08 -0.23 0.00 0.00 178.00 178.43 1zit s VAL 48 N -3.56 -0.03 0.10 1.56 1.01 -1.26 0.14 120.40 118.36 1zit s VAL 48 Ca 0.01 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.21 1zit s VAL 48 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 1zit s VAL 48 CO 0.67 0.05 -0.25 -0.63 0.00 0.00 0.00 175.10 174.93 1zit s ILE 49 N 0.67 2.34 -0.23 2.22 -1.09 0.17 -0.11 121.20 125.17 1zit s ILE 49 Ca -0.05 -1.59 -0.03 0.00 -2.23 0.00 0.00 60.65 56.74 1zit s ILE 49 Cb -0.07 -2.01 0.08 0.00 -1.58 0.00 0.00 42.46 38.87 1zit s ILE 49 CO -0.03 0.18 0.08 -0.69 -1.23 0.00 0.00 174.94 173.26 1zit s VAL 50 N -1.00 0.31 -1.08 2.92 1.01 0.29 -2.40 120.40 120.46 1zit s VAL 50 Ca 0.14 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1zit s VAL 50 Cb -0.10 -1.04 0.17 0.00 0.00 0.00 0.00 36.38 35.41 1zit s VAL 50 CO 0.05 -0.44 1.27 -0.22 0.00 0.00 0.00 175.10 175.76 1zit s LEU 51 N 1.93 5.26 -0.72 3.92 2.96 -1.26 0.15 118.68 130.93 1zit s LEU 51 Ca 0.04 -2.70 -0.25 0.00 -0.22 0.00 0.00 54.13 51.00 1zit s LEU 51 Cb -0.17 -2.37 -0.21 0.00 0.50 0.00 0.00 46.19 43.94 1zit s LEU 51 CO -0.19 -0.81 1.87 -0.67 -1.32 0.00 0.00 176.35 175.23 1zit n ASP 52 N 5.62 2.12 -4.51 3.68 -0.08 0.22 -3.76 116.55 119.82 1zit n ASP 52 Ca 0.30 -2.61 -0.15 0.00 -1.51 0.00 0.00 54.79 50.82 1zit n ASP 52 Cb 0.45 -1.19 -0.12 0.00 2.34 0.00 0.00 41.12 42.60 1zit n ASP 52 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1zit n VAL 53 N 7.08 0.00 0.00 5.18 3.14 -1.25 -4.28 118.33 128.19 1zit n VAL 53 Ca 0.47 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1zit n VAL 53 Cb 0.43 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1zit n TRP 54 N 14.40 0.00 -2.70 1.45 -0.00 -1.26 -3.55 117.44 125.78 1zit n TRP 54 Ca 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.94 1zit n TRP 54 Cb 0.36 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.73 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 -0.89 1.28 0.00 5.87 2.81 -1.26 -4.92 117.12 120.01 1zit n MET 55 Ca 0.00 -2.72 0.00 0.00 -1.81 0.00 0.00 57.70 53.17 1zit n MET 55 Cb 0.00 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 0.25 -1.20 0.03 -0.04 -1.26 -5.04 135.00 127.29 1zit n PRO 56 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1zit n PRO 56 Cb 0.83 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.26 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zit n ASP 57 N -1.98 -0.22 0.00 3.54 8.00 -1.26 -5.12 116.55 119.51 1zit n ASP 57 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1zit n ASP 57 Cb 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1zit n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zit n GLY 58 N 0.19 2.32 2.67 0.44 0.00 -1.26 -5.08 105.19 104.46 1zit n GLY 58 Ca -0.15 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 1zit n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zit s ASP 59 N -0.74 3.26 0.24 1.61 1.01 -1.26 -4.96 116.67 115.83 1zit s ASP 59 Ca 0.00 -3.39 -0.05 0.00 0.71 0.00 0.00 52.55 49.81 1zit s ASP 59 Cb 0.00 -1.06 0.33 0.00 1.01 0.00 0.00 42.92 43.20 1zit s ASP 59 CO 0.00 -0.14 1.85 1.23 0.21 0.00 0.00 175.17 178.32 1zit h GLY 60 N 5.64 1.28 1.13 0.21 0.00 -1.98 0.29 103.07 109.64 1zit h GLY 60 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1zit h GLY 60 CO 0.55 0.25 0.58 -2.08 0.00 0.00 0.00 176.54 175.83 1zit h VAL 61 N 0.94 1.22 0.00 4.60 2.07 -1.93 -0.29 116.25 122.87 1zit h VAL 61 Ca 0.37 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1zit h VAL 61 Cb 0.19 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1zit h VAL 61 CO -0.18 0.21 -0.27 -1.13 0.02 0.00 0.00 177.57 176.23 1zit h ASN 62 N 1.18 0.00 0.75 0.57 -0.00 -1.67 -3.06 115.58 113.35 1zit h ASN 62 Ca 0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.46 1zit h ASN 62 Cb -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.18 1zit h ASN 62 CO -0.07 0.27 -0.77 0.15 -0.00 0.00 0.00 177.43 177.00 1zit h PHE 63 N 0.00 0.02 -1.06 0.67 3.57 0.65 -3.23 116.94 117.57 1zit h PHE 63 Ca -0.00 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.77 1zit h PHE 63 Cb 0.99 -0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.62 1zit h PHE 63 CO 0.00 0.78 0.67 0.82 -2.23 0.00 0.00 178.31 178.35 1zit h ILE 64 N 0.01 0.46 -0.26 1.41 1.08 -1.08 0.24 117.51 119.37 1zit h ILE 64 Ca -0.01 -0.13 -0.12 0.00 -0.39 0.00 0.00 64.86 64.21 1zit h ILE 64 Cb 1.36 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1zit h ILE 64 CO 0.10 0.07 -0.30 -0.78 -0.69 0.00 0.00 178.15 176.56 1zit h ASP 65 N 0.39 0.71 -1.00 1.72 3.58 -1.74 -3.07 116.42 117.01 1zit h ASP 65 Ca 0.64 -0.49 0.20 0.00 0.42 0.00 0.00 57.03 57.80 1zit h ASP 65 Cb 1.59 -0.20 -0.11 0.00 1.72 0.00 0.00 39.33 42.33 1zit h ASP 65 CO -0.36 1.05 0.61 0.15 -2.88 0.00 0.00 179.24 177.81 1zit h PHE 66 N 0.39 1.06 0.18 0.28 3.04 -0.67 1.21 116.94 122.44 1zit h PHE 66 Ca 0.04 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1zit h PHE 66 Cb 0.87 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1zit h PHE 66 CO 0.08 0.22 -0.09 0.82 -2.02 0.00 0.00 178.31 177.32 1zit h ILE 67 N 0.75 0.88 0.00 1.41 5.03 -1.37 -1.77 117.51 122.43 1zit h ILE 67 Ca 0.58 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 65.04 1zit h ILE 67 Cb 0.93 1.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.78 1zit h ILE 67 CO -0.39 0.07 0.00 0.29 -0.68 0.00 0.00 178.15 177.44 1zit n LYS 68 N -5.14 0.04 -0.03 2.37 4.76 -0.36 0.49 118.16 120.29 1zit n LYS 68 Ca -0.09 0.13 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 1zit n LYS 68 Cb 0.17 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.74 1zit n LYS 68 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1zit h GLU 69 N 0.00 0.13 -0.18 1.97 4.81 0.21 -3.28 114.58 118.24 1zit h GLU 69 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1zit h GLU 69 Cb 0.35 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1zit h GLU 69 CO 0.00 0.96 0.00 0.27 -0.73 0.00 0.00 179.01 179.51 1zit n ASN 70 N -4.51 3.08 -2.73 1.04 0.23 -0.73 -4.75 115.26 106.90 1zit n ASN 70 Ca -0.10 -2.72 -0.07 0.00 -0.53 0.00 0.00 54.58 51.16 1zit n ASN 70 Cb 0.52 -0.39 0.07 0.00 -2.08 0.00 0.00 39.78 37.90 1zit n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1zit n SER 71 N -0.54 -2.45 0.24 0.53 7.64 0.18 -4.85 113.62 114.36 1zit n SER 71 Ca 0.15 -3.06 0.16 0.00 1.01 0.00 0.00 58.87 57.14 1zit n SER 71 Cb 0.66 1.64 0.64 0.00 -1.01 0.00 0.00 64.21 66.14 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 3.57 0.00 -0.94 1.43 0.11 -1.69 -2.97 132.00 131.52 1zit h PRO 72 Ca -0.16 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.33 1zit h PRO 72 Cb 1.08 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.84 1zit h PRO 72 CO 0.19 0.00 0.06 -3.47 -0.21 0.00 0.00 178.00 174.57 1zit n ASP 73 N -2.87 6.35 0.00 -2.05 2.03 -1.26 -4.98 116.55 113.77 1zit n ASP 73 Ca 0.01 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.55 1zit n ASP 73 Cb 0.29 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1zit n ASP 73 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1zit n SER 74 N -0.80 1.37 -3.78 1.67 2.88 -1.12 -4.40 113.62 109.44 1zit n SER 74 Ca 0.53 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 1zit n SER 74 Cb 0.79 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.13 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 1.33 -0.00 -0.44 2.46 1.01 0.12 -4.85 120.40 120.03 1zit s VAL 75 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1zit s VAL 75 Cb 0.00 -0.36 0.12 0.00 0.00 0.00 0.00 36.38 36.14 1zit s VAL 75 CO 0.00 0.01 0.17 -0.69 0.00 0.00 0.00 175.10 174.59 1zit s VAL 76 N 0.25 2.37 -0.05 2.92 1.01 -1.26 0.45 120.40 126.08 1zit s VAL 76 Ca -0.01 -2.86 -0.16 0.00 0.00 0.00 0.00 61.98 58.94 1zit s VAL 76 Cb -0.03 -2.69 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 1zit s VAL 76 CO -0.01 -0.72 0.67 0.40 0.00 0.00 0.00 175.10 175.44 1zit h ILE 77 N 5.94 0.45 -5.52 2.22 1.08 -1.78 0.83 117.51 120.74 1zit h ILE 77 Ca -0.06 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1zit h ILE 77 Cb 0.95 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1zit h ILE 77 CO 0.61 0.12 -1.02 0.52 -0.69 0.00 0.00 178.15 177.69 1zit n VAL 78 N -4.98 -8.50 -1.21 1.67 0.31 -1.26 -4.29 118.33 100.07 1zit n VAL 78 Ca -0.06 1.57 0.00 0.00 -0.01 0.00 0.00 64.34 65.84 1zit n VAL 78 Cb 0.22 -5.30 0.00 0.00 -0.91 0.00 0.00 33.84 27.85 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 1.46 0.00 -1.17 2.52 5.41 -1.25 -4.31 119.36 122.03 1zit n ILE 79 Ca -0.13 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.76 1zit n ILE 79 Cb 0.30 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.19 1zit n ILE 79 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1zit n THR 80 N 0.00 0.00 0.00 1.39 -2.24 -1.26 -3.94 114.28 108.23 1zit n THR 80 Ca 0.00 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1zit n THR 80 Cb 0.00 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zit n GLY 81 N -3.56 3.92 0.43 3.38 0.00 -1.23 -4.79 105.19 103.34 1zit n GLY 81 Ca -0.01 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1zit n GLY 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1zit h HIS 82 N 0.00 -1.10 0.00 1.61 3.86 -1.94 -3.38 115.15 114.20 1zit h HIS 82 Ca 0.00 -0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1zit h HIS 82 Cb 0.00 0.40 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1zit h HIS 82 CO 0.00 -0.61 -1.74 0.41 0.86 0.00 0.00 177.93 176.85 1zit n GLY 83 N -1.52 -0.47 3.49 2.45 0.00 -1.26 -5.04 105.19 102.85 1zit n GLY 83 Ca -0.12 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.48 -2.38 0.00 1.61 7.64 -1.26 -4.91 113.62 111.83 1zit n SER 84 Ca -0.19 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1zit n SER 84 Cb 0.83 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 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 -4.07 0.00 -0.04 0.44 0.24 -1.26 -4.62 118.33 109.02 1zit n VAL 85 Ca -0.26 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.04 1zit n VAL 85 Cb 0.66 -0.43 -0.14 0.00 -1.47 0.00 0.00 33.84 32.47 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 -2.23 0.75 0.06 -1.34 2.03 -1.26 -4.04 116.55 110.52 1zit n ASP 86 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1zit n ASP 86 Cb 0.32 1.41 -0.14 0.00 -0.72 0.00 0.00 41.12 42.00 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 1.33 0.68 5.18 1.03 -1.97 -2.95 112.91 116.22 1zit h THR 87 Ca -0.22 -3.00 -0.03 0.00 -0.01 0.00 0.00 66.41 63.15 1zit h THR 87 Cb 1.43 2.78 0.01 0.00 -1.07 0.00 0.00 68.15 71.30 1zit h THR 87 CO 0.01 0.84 -0.33 0.00 -0.01 0.00 0.00 175.52 176.03 1zit h ALA 88 N 0.69 -0.92 -0.00 0.00 0.00 -1.82 -2.57 119.26 114.64 1zit h ALA 88 Ca -0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1zit h ALA 88 Cb 1.95 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 20.09 1zit h ALA 88 CO 0.15 -0.99 0.00 -0.39 0.00 0.00 0.00 179.25 178.03 1zit h VAL 89 N -0.97 0.82 0.00 0.00 -1.51 -1.70 0.89 116.25 113.77 1zit h VAL 89 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1zit h VAL 89 Cb 0.72 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1zit h VAL 89 CO 0.15 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.66 1zit n LYS 90 N -4.28 0.73 0.00 5.19 4.81 -1.00 -3.12 118.16 120.49 1zit n LYS 90 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1zit n LYS 90 Cb 0.09 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.11 1.73 -0.02 3.14 0.00 -0.04 -4.75 120.51 119.45 1zit n ALA 91 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1zit n ALA 91 Cb 0.15 0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 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 1.37 -0.19 0.00 3.07 0.57 -3.15 117.51 119.18 1zit h ILE 92 Ca 0.00 -1.86 0.02 0.00 1.55 0.00 0.00 64.86 64.57 1zit h ILE 92 Cb 0.45 2.24 -0.01 0.00 -0.27 0.00 0.00 36.82 39.23 1zit h ILE 92 CO 0.00 0.56 0.13 0.11 -1.05 0.00 0.00 178.15 177.90 1zit h LYS 93 N 0.10 0.19 0.51 0.16 1.79 -1.72 -2.70 116.57 114.89 1zit h LYS 93 Ca -0.04 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1zit h LYS 93 Cb 1.17 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1zit h LYS 93 CO 0.11 0.12 -0.24 0.87 -1.08 0.00 0.00 179.45 179.23 1zit h LYS 94 N 0.19 -0.66 0.00 3.15 6.56 -1.78 -3.45 116.57 120.58 1zit h LYS 94 Ca 0.08 0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.69 1zit h LYS 94 Cb 0.08 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 1zit h LYS 94 CO -0.01 -0.44 -0.05 0.41 -2.06 0.00 0.00 179.45 177.30 1zit n GLY 95 N -1.17 -0.27 0.00 3.86 0.00 -1.14 -5.14 105.19 101.33 1zit n GLY 95 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.33 4.61 0.00 -1.03 -4.68 120.51 118.08 1zit n ALA 96 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1zit n ALA 96 Cb 0.31 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.95 0.90 -0.04 0.00 9.36 0.29 -4.82 117.16 121.89 1zit n TYR 97 Ca 0.00 -1.38 0.00 0.00 3.32 0.00 0.00 57.90 59.84 1zit n TYR 97 Cb 0.00 -0.41 0.00 0.00 -0.63 0.00 0.00 39.34 38.30 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -1.01 -0.11 -2.53 2.98 0.28 -1.26 -4.75 120.64 114.24 1zit n GLU 98 Ca 0.28 0.09 -0.40 0.00 -0.16 0.00 0.00 57.16 56.96 1zit n GLU 98 Cb 0.95 -0.10 -0.03 0.00 1.43 0.00 0.00 31.44 33.69 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1zit s PHE 99 N -3.48 2.52 0.60 -1.84 0.40 -1.26 -4.70 117.98 110.22 1zit s PHE 99 Ca 0.00 -0.87 -0.20 0.00 -0.60 0.00 0.00 56.93 55.26 1zit s PHE 99 Cb 0.00 -4.67 -0.03 0.00 0.51 0.00 0.00 43.02 38.83 1zit s PHE 99 CO 0.00 -1.90 1.27 -0.11 0.70 0.00 0.00 175.22 175.18 1zit n LEU 100 N 9.16 5.45 -4.21 -0.37 7.94 -1.26 -4.97 117.00 128.74 1zit n LEU 100 Ca 0.36 0.89 -0.27 0.00 -1.11 0.00 0.00 56.01 55.88 1zit n LEU 100 Cb 0.50 -1.54 0.25 0.00 0.53 0.00 0.00 43.42 43.16 1zit n LEU 100 CO 0.67 -0.95 0.24 -0.62 -1.11 0.00 0.00 177.39 175.63 1zit n GLU 101 N -1.37 -3.74 -2.78 1.96 1.02 -1.26 -4.62 120.64 109.84 1zit n GLU 101 Ca 0.13 -1.10 -0.11 0.00 -0.02 0.00 0.00 57.16 56.06 1zit n GLU 101 Cb 0.46 -1.84 0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1zit n GLU 101 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1zit n LYS 102 N -4.52 1.11 0.00 3.49 0.00 -1.26 -4.81 118.16 112.17 1zit n LYS 102 Ca 0.09 -3.29 0.00 0.00 -0.00 0.00 0.00 58.31 55.11 1zit n LYS 102 Cb 0.53 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 34.21 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 0.02 -0.38 -1.53 -1.58 -0.04 -1.26 -4.81 135.00 125.42 1zit n PRO 103 Ca 0.13 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.13 1zit n PRO 103 Cb 0.78 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.19 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 -1.85 1.75 -1.10 0.54 7.35 -1.26 -4.59 117.46 118.29 1zit n PHE 104 Ca 0.00 0.06 0.14 0.00 -0.76 0.00 0.00 57.45 56.89 1zit n PHE 104 Cb 0.00 -2.64 -0.07 0.00 0.35 0.00 0.00 39.48 37.13 1zit n PHE 104 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1zit n SER 105 N 11.27 -6.18 -2.40 -2.13 7.64 -1.26 -4.37 113.62 116.18 1zit n SER 105 Ca 0.36 1.02 -0.25 0.00 1.01 0.00 0.00 58.87 61.01 1zit n SER 105 Cb 0.36 -3.74 -0.06 0.00 -1.01 0.00 0.00 64.21 59.76 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 -3.82 3.25 0.14 0.44 0.24 -1.26 -4.58 118.33 112.74 1zit n VAL 106 Ca -0.06 -2.77 -0.06 0.00 -2.04 0.00 0.00 64.34 59.40 1zit n VAL 106 Cb 0.52 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.26 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1zit h GLU 107 N 2.87 -0.39 -0.44 7.34 4.81 -1.92 -2.49 114.58 124.36 1zit h GLU 107 Ca 0.37 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.75 1zit h GLU 107 Cb 0.80 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1zit h GLU 107 CO 0.82 -0.26 0.33 -0.09 -0.73 0.00 0.00 179.01 179.08 1zit h ARG 108 N -0.89 0.00 -0.53 1.92 9.65 -1.90 0.99 114.38 123.63 1zit h ARG 108 Ca -0.04 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1zit h ARG 108 Cb 0.31 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1zit h ARG 108 CO 0.07 0.00 0.29 0.35 2.80 0.00 0.00 179.97 183.48 1zit h PHE 109 N 0.00 0.73 -0.78 2.20 3.57 -1.87 -2.02 116.94 118.77 1zit h PHE 109 Ca 0.21 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.90 1zit h PHE 109 Cb 0.87 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1zit h PHE 109 CO 0.00 0.54 0.55 -0.07 -2.23 0.00 0.00 178.31 177.10 1zit h LEU 110 N 0.71 0.10 0.14 0.59 3.38 -0.31 0.11 115.31 120.02 1zit h LEU 110 Ca 0.19 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 1zit h LEU 110 Cb 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1zit h LEU 110 CO -0.03 0.04 -1.27 -0.07 0.09 0.00 0.00 178.44 177.20 1zit h LEU 111 N 0.10 0.52 -0.63 1.67 4.07 -1.38 -2.72 115.31 116.94 1zit h LEU 111 Ca 0.38 -0.55 -0.13 0.00 0.08 0.00 0.00 57.88 57.66 1zit h LEU 111 Cb 1.35 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1zit h LEU 111 CO -0.04 1.42 -0.36 0.74 -1.08 0.00 0.00 178.44 179.12 1zit h THR 112 N 0.10 1.29 0.12 0.22 2.02 -0.55 -3.16 112.91 112.95 1zit h THR 112 Ca -0.16 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1zit h THR 112 Cb 1.99 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1zit h THR 112 CO 0.22 0.49 -0.06 0.40 0.37 0.00 0.00 175.52 176.94 1zit h ILE 113 N 0.56 1.05 -0.37 3.11 1.08 -0.95 -2.31 117.51 119.69 1zit h ILE 113 Ca 0.05 -0.75 0.06 0.00 -0.39 0.00 0.00 64.86 63.83 1zit h ILE 113 Cb 0.88 1.52 -0.09 0.00 -3.07 0.00 0.00 36.82 36.07 1zit h ILE 113 CO 0.08 0.18 -0.44 0.07 -0.69 0.00 0.00 178.15 177.34 1zit h LYS 114 N -0.52 -0.35 -0.62 2.37 2.10 -1.52 0.28 116.57 118.32 1zit h LYS 114 Ca -0.02 0.02 0.07 0.00 -2.00 0.00 0.00 60.65 58.73 1zit h LYS 114 Cb 0.42 0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.79 1zit h LYS 114 CO 0.03 -0.23 0.41 1.25 -2.00 0.00 0.00 179.45 178.91 1zit h HIS 115 N -0.36 0.58 -0.63 0.07 2.76 -1.61 -0.30 115.15 115.66 1zit h HIS 115 Ca 0.12 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.45 1zit h HIS 115 Cb 0.59 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 1zit h HIS 115 CO -0.62 0.30 0.43 0.00 -1.30 0.00 0.00 177.93 176.74 1zit h ALA 116 N 1.67 2.25 -0.03 5.26 0.00 0.13 0.95 119.26 129.49 1zit h ALA 116 Ca 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1zit h ALA 116 Cb 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1zit h ALA 116 CO -0.08 -0.41 -0.35 0.74 0.00 0.00 0.00 179.25 179.14 1zit h PHE 117 N 0.25 0.42 -0.24 0.00 -1.00 -0.52 -2.38 116.94 113.47 1zit h PHE 117 Ca 0.30 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1zit h PHE 117 Cb 0.85 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.35 1zit h PHE 117 CO -0.00 0.98 0.00 0.39 -1.61 0.00 0.00 178.31 178.07 1zit n GLU 118 N -4.41 1.72 0.00 1.51 1.02 -0.60 -3.67 120.64 116.20 1zit n GLU 118 Ca -0.09 -1.09 0.01 0.00 -0.02 0.00 0.00 57.16 55.97 1zit n GLU 118 Cb 0.54 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.62 1zit n GLU 118 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1zit n GLU 119 N 0.34 5.15 -2.91 3.49 -0.58 0.32 -4.84 120.64 121.61 1zit n GLU 119 Ca 0.14 -0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.64 1zit n GLU 119 Cb 0.29 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 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 -0.87 -2.41 -1.93 -0.32 4.19 -0.90 -5.00 117.16 109.91 1zit n TYR 120 Ca 0.01 -2.32 0.00 0.00 3.31 0.00 0.00 57.90 58.90 1zit n TYR 120 Cb 0.04 0.94 0.00 0.00 0.49 0.00 0.00 39.34 40.81 1zit n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64