#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 -3.44 -3.75 0.03 4.01 -1.26 -4.67 118.16 109.07 1zit n LYS 2 Ca 0.00 2.73 -0.13 0.00 -0.51 0.00 0.00 58.31 60.41 1zit n LYS 2 Cb 0.00 -4.51 -0.13 0.00 -0.51 0.00 0.00 35.03 29.88 1zit n LYS 2 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1zit s ARG 3 N -1.00 0.19 0.06 1.97 3.00 -1.26 -1.02 118.95 120.89 1zit s ARG 3 Ca -0.14 0.44 0.08 0.00 0.00 0.00 0.00 55.73 56.11 1zit s ARG 3 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 34.95 34.86 1zit s ARG 3 CO 0.66 -0.13 -0.22 0.08 0.00 0.00 0.00 175.30 175.69 1zit s VAL 4 N 0.96 1.78 -0.16 3.52 1.01 -1.17 -3.68 120.40 122.66 1zit s VAL 4 Ca -0.07 -1.32 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 1zit s VAL 4 Cb -0.08 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1zit s VAL 4 CO -0.06 0.18 0.06 -0.22 0.00 0.00 0.00 175.10 175.06 1zit s LEU 5 N -1.36 3.86 -0.61 3.92 2.96 0.13 -1.98 118.68 125.59 1zit s LEU 5 Ca 0.08 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1zit s LEU 5 Cb -0.09 -1.96 0.16 0.00 0.50 0.00 0.00 46.19 44.80 1zit s LEU 5 CO 0.02 0.24 0.41 -0.69 -1.32 0.00 0.00 176.35 175.02 1zit s VAL 6 N -0.00 3.58 -0.61 1.68 1.01 -1.26 0.11 120.40 124.91 1zit s VAL 6 Ca 0.06 -2.97 -0.27 0.00 0.00 0.00 0.00 61.98 58.80 1zit s VAL 6 Cb -0.12 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1zit s VAL 6 CO 0.01 -0.86 1.17 -0.69 0.00 0.00 0.00 175.10 174.72 1zit s VAL 7 N -0.05 4.02 -0.02 2.92 1.01 0.23 0.63 120.40 129.13 1zit s VAL 7 Ca 0.17 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1zit s VAL 7 Cb -0.21 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.44 1zit s VAL 7 CO -0.03 -1.42 -0.05 -0.62 0.00 0.00 0.00 175.10 172.98 1zit s ASP 8 N 3.13 0.75 0.09 3.32 2.15 -1.19 0.14 116.67 125.05 1zit s ASP 8 Ca 0.39 -0.10 -0.14 0.00 0.43 0.00 0.00 52.55 53.13 1zit s ASP 8 Cb -0.09 -0.25 -0.16 0.00 -0.30 0.00 0.00 42.92 42.13 1zit s ASP 8 CO 0.22 -0.00 1.29 -0.78 -0.17 0.00 0.00 175.17 175.73 1zit h ASP 9 N 6.65 0.89 -0.21 -0.34 1.82 -1.43 -3.33 116.42 120.46 1zit h ASP 9 Ca -0.35 -0.62 0.26 0.00 -0.39 0.00 0.00 57.03 55.92 1zit h ASP 9 Cb 1.17 -0.26 -0.28 0.00 0.68 0.00 0.00 39.33 40.64 1zit h ASP 9 CO 0.49 1.37 0.54 -0.70 -1.61 0.00 0.00 179.24 179.33 1zit s GLU 10 N -3.76 0.04 0.00 0.28 2.12 -1.26 -4.98 118.70 111.14 1zit s GLU 10 Ca -0.11 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1zit s GLU 10 Cb 0.08 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.52 1zit s GLU 10 CO 0.89 -0.01 0.00 -1.91 -0.54 0.00 0.00 175.26 173.69 1zit n GLU 11 N 4.50 -2.82 -0.67 4.30 2.13 -1.26 -4.78 120.64 122.04 1zit n GLU 11 Ca -0.07 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.81 1zit n GLU 11 Cb 0.56 0.00 0.31 0.00 0.27 0.00 0.00 31.44 32.57 1zit n GLU 11 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1zit n SER 12 N 0.04 4.55 -0.05 4.31 7.64 -1.26 -4.39 113.62 124.46 1zit n SER 12 Ca 0.00 -2.67 -0.01 0.00 1.01 0.00 0.00 58.87 57.20 1zit n SER 12 Cb 0.00 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 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 3.09 0.11 -0.94 0.44 5.03 -1.98 -3.19 117.51 120.07 1zit h ILE 13 Ca 0.00 -1.08 0.27 0.00 -0.12 0.00 0.00 64.86 63.93 1zit h ILE 13 Cb 1.59 0.21 -0.04 0.00 -3.03 0.00 0.00 36.82 35.55 1zit h ILE 13 CO 0.36 0.04 0.91 0.71 -0.68 0.00 0.00 178.15 179.48 1zit h THR 14 N -1.00 0.20 0.07 -0.27 1.35 -1.94 0.78 112.91 112.10 1zit h THR 14 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1zit h THR 14 Cb 0.10 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1zit h THR 14 CO -0.00 0.00 -0.03 -1.28 -0.25 0.00 0.00 175.52 173.95 1zit h SER 15 N 0.00 -0.08 0.12 5.36 0.87 -1.84 -3.21 113.55 114.77 1zit h SER 15 Ca 0.45 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 1zit h SER 15 Cb 2.25 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 64.24 1zit h SER 15 CO -0.00 0.14 -0.06 0.28 -0.53 0.00 0.00 176.83 176.66 1zit h SER 16 N -0.49 -0.14 -0.52 6.23 0.02 -1.36 -3.13 113.55 114.16 1zit h SER 16 Ca -0.01 -0.43 0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1zit h SER 16 Cb 0.07 0.04 -0.11 0.00 0.14 0.00 0.00 62.40 62.54 1zit h SER 16 CO 0.02 0.45 -0.32 0.25 -1.14 0.00 0.00 176.83 176.09 1zit h LEU 17 N -0.82 -1.09 -0.77 5.07 7.12 0.32 0.25 115.31 125.39 1zit h LEU 17 Ca -0.02 0.21 0.13 0.00 0.13 0.00 0.00 57.88 58.33 1zit h LEU 17 Cb 0.56 0.54 -0.09 0.00 -0.53 0.00 0.00 40.66 41.14 1zit h LEU 17 CO 0.03 -0.30 0.37 0.28 -0.13 0.00 0.00 178.44 178.68 1zit h SER 18 N -0.18 0.43 -0.66 1.25 0.02 -1.58 -0.23 113.55 112.60 1zit h SER 18 Ca 0.21 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1zit h SER 18 Cb 0.54 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1zit h SER 18 CO -0.63 0.20 0.17 0.00 -1.14 0.00 0.00 176.83 175.44 1zit h ALA 19 N 1.51 0.87 0.18 3.77 0.00 -0.80 -2.26 119.26 122.53 1zit h ALA 19 Ca 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1zit h ALA 19 Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1zit h ALA 19 CO -0.34 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 180.16 1zit h ILE 20 N 0.98 0.00 -1.17 0.00 2.04 0.11 -1.82 117.51 117.65 1zit h ILE 20 Ca 0.21 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.40 1zit h ILE 20 Cb 0.35 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.35 1zit h ILE 20 CO -0.00 0.00 0.80 -0.07 0.00 0.00 0.00 178.15 178.88 1zit h LEU 21 N -0.32 0.21 -1.68 1.44 3.38 -1.36 1.37 115.31 118.36 1zit h LEU 21 Ca -0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1zit h LEU 21 Cb 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1zit h LEU 21 CO 0.00 0.01 -0.16 -0.08 0.09 0.00 0.00 178.44 178.30 1zit h GLU 22 N 0.17 0.00 0.12 1.13 4.81 -0.75 -0.46 114.58 119.59 1zit h GLU 22 Ca 0.62 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.57 1zit h GLU 22 Cb 2.05 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.44 1zit h GLU 22 CO -0.17 0.16 -1.21 1.49 -0.73 0.00 0.00 179.01 178.55 1zit h GLU 23 N 0.00 0.43 0.00 1.92 4.81 0.26 -3.20 114.58 118.81 1zit h GLU 23 Ca -0.00 -0.62 -0.03 0.00 -0.13 0.00 0.00 59.36 58.58 1zit h GLU 23 Cb 0.29 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1zit h GLU 23 CO 0.02 1.27 -0.12 0.93 -0.73 0.00 0.00 179.01 180.38 1zit h GLU 24 N 0.17 0.00 0.00 1.92 5.08 -0.75 -3.47 114.58 117.53 1zit h GLU 24 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1zit h GLU 24 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1zit h GLU 24 CO 0.21 0.12 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 1zit n GLY 25 N 0.06 0.82 2.57 -3.84 0.00 -0.29 -5.10 105.19 99.41 1zit n GLY 25 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.14 -3.49 1.61 4.01 -0.58 -4.90 117.16 113.95 1zit n TYR 26 Ca 0.00 -2.00 -0.27 0.00 -0.16 0.00 0.00 57.90 55.48 1zit n TYR 26 Cb 0.00 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.71 1.12 -2.14 -0.72 -0.00 -0.19 -4.63 115.22 107.95 1zit n HIS 27 Ca -0.05 -3.78 -0.41 0.00 0.46 0.00 0.00 57.72 53.94 1zit n HIS 27 Cb 0.47 -0.25 -0.02 0.00 -0.12 0.00 0.00 29.99 30.06 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 -1.06 4.36 0.00 1.57 0.02 -1.25 -3.03 135.00 135.61 1zit s PRO 28 Ca 0.32 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1zit s PRO 28 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1zit s PRO 28 CO -0.14 -0.22 0.88 -3.47 -0.33 0.00 0.00 177.00 173.71 1zit n ASP 29 N 1.56 1.73 0.00 2.53 2.03 -0.84 -4.95 116.55 118.60 1zit n ASP 29 Ca 0.03 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.58 1zit n ASP 29 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.38 0.00 -2.30 5.18 -2.24 -1.26 -4.72 114.28 108.56 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 0.20 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.12 0.00 -0.02 6.98 0.00 0.20 -4.81 120.51 122.99 1zit n ALA 31 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1zit n ALA 31 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.23 0.62 -1.91 0.00 4.81 -1.25 -3.16 118.16 117.04 1zit n LYS 32 Ca 0.00 0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.43 1zit n LYS 32 Cb 0.00 -1.07 0.01 0.00 0.02 0.00 0.00 35.03 33.99 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 -2.53 0.00 -0.08 3.15 -2.24 -1.26 -1.65 114.28 109.67 1zit n THR 33 Ca -0.06 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1zit n THR 33 Cb 0.57 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.45 -0.34 3.22 3.38 -1.96 0.96 115.31 121.02 1zit h LEU 34 Ca -0.10 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1zit h LEU 34 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1zit h LEU 34 CO 0.13 0.68 0.15 0.03 0.09 0.00 0.00 178.44 179.52 1zit h ARG 35 N 0.21 0.50 -0.10 1.13 3.08 -1.99 0.22 114.38 117.44 1zit h ARG 35 Ca 0.07 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1zit h ARG 35 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1zit h ARG 35 CO 0.02 0.48 -0.45 1.49 -1.07 0.00 0.00 179.97 180.44 1zit h GLU 36 N 0.41 0.23 0.00 0.04 4.22 -1.93 -2.65 114.58 114.90 1zit h GLU 36 Ca 0.12 -0.11 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 1zit h GLU 36 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1zit h GLU 36 CO -0.01 0.63 -0.56 0.00 -2.18 0.00 0.00 179.01 176.89 1zit h ALA 37 N 1.35 0.94 -0.25 2.92 0.00 0.14 -2.60 119.26 121.76 1zit h ALA 37 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1zit h ALA 37 Cb 0.87 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1zit h ALA 37 CO 0.07 0.70 -0.25 0.93 0.00 0.00 0.00 179.25 180.70 1zit h GLU 38 N 0.00 0.62 -1.00 0.00 5.08 -0.26 0.20 114.58 119.23 1zit h GLU 38 Ca -0.01 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1zit h GLU 38 Cb 1.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1zit h GLU 38 CO 0.07 0.92 0.66 -0.22 -1.00 0.00 0.00 179.01 179.45 1zit h LYS 39 N 0.33 1.31 -0.11 2.33 3.11 -1.40 1.08 116.57 123.23 1zit h LYS 39 Ca 0.04 -0.08 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 1zit h LYS 39 Cb 0.81 -0.30 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1zit h LYS 39 CO 0.06 0.87 -0.14 0.87 -2.81 0.00 0.00 179.45 178.30 1zit h LYS 40 N 1.35 0.29 0.00 1.90 1.79 -1.30 -3.12 116.57 117.49 1zit h LYS 40 Ca 0.36 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1zit h LYS 40 Cb -0.15 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1zit h LYS 40 CO -0.08 0.73 -0.03 0.82 -1.08 0.00 0.00 179.45 179.81 1zit h ILE 41 N -0.12 0.06 -0.02 1.86 2.04 -0.24 -0.71 117.51 120.37 1zit h ILE 41 Ca 0.01 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1zit h ILE 41 Cb 0.69 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1zit h ILE 41 CO 0.03 0.03 0.11 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 0.13 -3.28 116.57 117.36 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1zit h LYS 42 CO 0.00 0.00 -0.68 0.39 -0.57 0.00 0.00 179.45 178.60 1zit n GLU 43 N -3.19 0.00 -2.56 3.15 1.02 -1.16 -5.03 120.64 112.87 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 0.18 -0.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 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 -4.85 4.21 -1.14 -4.62 2.01 -0.28 -4.96 118.68 109.04 1zit s LEU 44 Ca 0.00 1.61 -0.20 0.00 0.01 0.00 0.00 54.13 55.54 1zit s LEU 44 Cb 0.00 -3.55 0.07 0.00 0.01 0.00 0.00 46.19 42.72 1zit s LEU 44 CO 0.00 -0.60 1.55 0.12 1.01 0.00 0.00 176.35 178.43 1zit s PHE 45 N 2.67 2.72 -0.38 0.29 2.19 -1.26 -4.37 117.98 119.83 1zit s PHE 45 Ca 0.51 -1.27 -0.28 0.00 0.33 0.00 0.00 56.93 56.21 1zit s PHE 45 Cb -0.20 -4.68 0.02 0.00 -1.31 0.00 0.00 43.02 36.85 1zit s PHE 45 CO 0.15 -1.83 1.07 -0.06 1.83 0.00 0.00 175.22 176.38 1zit s PHE 46 N 4.35 3.03 -0.10 10.12 0.08 -1.26 -4.90 117.98 129.29 1zit s PHE 46 Ca 0.48 0.96 0.29 0.00 0.12 0.00 0.00 56.93 58.78 1zit s PHE 46 Cb 0.01 -3.92 0.93 0.00 -0.57 0.00 0.00 43.02 39.47 1zit s PHE 46 CO -0.02 -0.94 1.82 -1.00 -0.10 0.00 0.00 175.22 174.98 1zit h PRO 47 N 8.53 0.00 -3.16 0.24 0.13 -1.85 -3.42 132.00 132.47 1zit h PRO 47 Ca -0.22 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.69 1zit h PRO 47 Cb 1.06 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.88 1zit h PRO 47 CO 1.05 0.03 -0.55 0.08 -0.23 0.00 0.00 178.00 178.38 1zit s VAL 48 N -3.48 -0.05 0.24 1.56 1.01 -1.24 0.11 120.40 118.55 1zit s VAL 48 Ca 0.03 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.29 1zit s VAL 48 Cb 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1zit s VAL 48 CO 0.60 0.07 -0.14 -0.63 0.00 0.00 0.00 175.10 175.00 1zit s ILE 49 N 1.22 2.82 -0.28 2.22 -1.09 0.18 0.19 121.20 126.47 1zit s ILE 49 Ca -0.09 -2.05 -0.00 0.00 -2.23 0.00 0.00 60.65 56.27 1zit s ILE 49 Cb -0.11 -2.44 0.14 0.00 -1.58 0.00 0.00 42.46 38.47 1zit s ILE 49 CO -0.07 -0.27 0.34 -0.69 -1.23 0.00 0.00 174.94 173.02 1zit s VAL 50 N -2.11 -0.51 0.41 2.92 1.01 0.29 -1.70 120.40 120.72 1zit s VAL 50 Ca 0.27 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1zit s VAL 50 Cb -0.07 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.27 1zit s VAL 50 CO 0.15 -0.34 0.98 -0.22 0.00 0.00 0.00 175.10 175.67 1zit s LEU 51 N 2.45 4.04 -0.51 3.92 2.96 -1.26 -0.60 118.68 129.68 1zit s LEU 51 Ca 0.10 1.82 0.03 0.00 -0.22 0.00 0.00 54.13 55.86 1zit s LEU 51 Cb -0.14 -4.38 0.16 0.00 0.50 0.00 0.00 46.19 42.33 1zit s LEU 51 CO -0.28 -0.39 0.34 -0.62 -1.32 0.00 0.00 176.35 174.08 1zit s ASP 52 N -1.93 3.30 -0.46 3.68 2.15 0.36 -1.87 116.67 121.90 1zit s ASP 52 Ca 0.60 -3.11 -0.28 0.00 0.43 0.00 0.00 52.55 50.19 1zit s ASP 52 Cb -0.14 -1.01 -0.29 0.00 -0.30 0.00 0.00 42.92 41.18 1zit s ASP 52 CO 0.19 -0.18 1.79 0.52 -0.17 0.00 0.00 175.17 177.31 1zit n VAL 53 N 2.88 0.52 0.00 1.11 0.31 -1.26 -3.91 118.33 117.98 1zit n VAL 53 Ca 0.18 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1zit n VAL 53 Cb 0.39 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 11.29 0.00 -2.63 3.52 -0.00 -1.26 -4.83 117.44 123.54 1zit n TRP 54 Ca 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.93 1zit n TRP 54 Cb 0.43 0.00 0.05 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.00 1.86 -0.13 5.87 2.81 -1.26 -5.09 117.12 121.18 1zit n MET 55 Ca 0.00 -3.45 0.00 0.00 -1.81 0.00 0.00 57.70 52.44 1zit n MET 55 Cb 0.00 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 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 -0.51 0.93 -2.79 0.03 -0.04 -1.26 -5.06 135.00 126.31 1zit n PRO 56 Ca 0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1zit n PRO 56 Cb 0.87 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.39 1zit n PRO 56 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1zit n ASP 57 N -1.42 0.94 -4.79 3.54 5.68 -1.26 -5.12 116.55 114.12 1zit n ASP 57 Ca 0.00 -2.15 -0.22 0.00 -0.50 0.00 0.00 54.79 51.92 1zit n ASP 57 Cb 0.00 -0.24 0.10 0.00 -1.14 0.00 0.00 41.12 39.84 1zit n ASP 57 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1zit s GLY 58 N -3.20 1.72 -0.78 6.12 0.00 -1.26 -5.06 107.32 104.87 1zit s GLY 58 Ca 0.24 -2.02 0.03 0.00 0.00 0.00 0.00 44.72 42.96 1zit s GLY 58 CO -0.05 -1.44 0.69 1.34 0.00 0.00 0.00 173.10 173.64 1zit n ASP 59 N -2.66 3.75 0.29 1.64 -0.08 -1.26 -4.90 116.55 113.33 1zit n ASP 59 Ca 0.17 -3.25 0.14 0.00 -1.51 0.00 0.00 54.79 50.34 1zit n ASP 59 Cb 0.61 -0.86 0.88 0.00 2.34 0.00 0.00 41.12 44.09 1zit n ASP 59 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1zit h GLY 60 N 5.32 0.00 0.46 0.27 0.00 -1.99 -2.46 103.07 104.67 1zit h GLY 60 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.59 1zit h GLY 60 CO 0.82 0.00 0.32 -2.08 0.00 0.00 0.00 176.54 175.60 1zit h VAL 61 N 0.00 0.83 -0.25 4.60 2.07 -1.90 0.38 116.25 121.98 1zit h VAL 61 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1zit h VAL 61 Cb 0.03 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1zit h VAL 61 CO -0.00 0.10 0.00 0.59 0.02 0.00 0.00 177.57 178.28 1zit n ASN 62 N -4.90 1.78 0.00 0.57 3.02 -0.93 -3.93 115.26 110.86 1zit n ASN 62 Ca 0.10 -1.83 -0.18 0.00 -0.03 0.00 0.00 54.58 52.64 1zit n ASN 62 Cb 0.27 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.14 1zit n ASN 62 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1zit n PHE 63 N 0.42 1.23 -0.24 3.10 7.35 0.10 -4.06 117.46 125.35 1zit n PHE 63 Ca 0.14 0.30 0.32 0.00 -0.76 0.00 0.00 57.45 57.45 1zit n PHE 63 Cb 0.32 -1.17 0.72 0.00 0.35 0.00 0.00 39.48 39.70 1zit n PHE 63 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1zit h ILE 64 N 0.06 0.35 0.05 -2.13 5.03 -1.63 0.65 117.51 119.89 1zit h ILE 64 Ca -0.39 0.00 -0.25 0.00 -0.12 0.00 0.00 64.86 64.11 1zit h ILE 64 Cb 2.03 0.40 0.01 0.00 -3.03 0.00 0.00 36.82 36.23 1zit h ILE 64 CO 0.09 0.00 -1.06 -0.78 -0.68 0.00 0.00 178.15 175.72 1zit h ASP 65 N 0.00 0.56 -0.74 1.72 1.82 -1.82 -3.16 116.42 114.80 1zit h ASP 65 Ca 0.50 -0.49 0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1zit h ASP 65 Cb 2.16 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 41.95 1zit h ASP 65 CO -0.01 1.32 0.47 0.15 -1.61 0.00 0.00 179.24 179.56 1zit h PHE 66 N 0.20 0.89 -0.68 0.28 3.57 0.15 1.01 116.94 122.36 1zit h PHE 66 Ca -0.11 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1zit h PHE 66 Cb 1.72 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 1zit h PHE 66 CO 0.07 0.53 0.45 0.82 -2.23 0.00 0.00 178.31 177.95 1zit h ILE 67 N 0.94 1.17 0.00 1.41 5.03 -1.50 -1.26 117.51 123.30 1zit h ILE 67 Ca 0.29 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1zit h ILE 67 Cb -0.03 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 33.93 1zit h ILE 67 CO -0.09 0.17 -0.10 0.11 -0.68 0.00 0.00 178.15 177.56 1zit h LYS 68 N 0.91 0.00 -0.05 2.37 1.57 -1.35 0.53 116.57 120.56 1zit h LYS 68 Ca 0.25 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1zit h LYS 68 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1zit h LYS 68 CO -0.06 0.00 -0.76 1.49 -0.57 0.00 0.00 179.45 179.55 1zit h GLU 69 N 0.00 0.34 0.00 3.15 4.22 0.22 -3.24 114.58 119.26 1zit h GLU 69 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1zit h GLU 69 Cb 0.80 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1zit h GLU 69 CO 0.00 0.95 -0.05 0.27 -2.18 0.00 0.00 179.01 178.00 1zit n ASN 70 N -3.80 1.44 -2.73 1.04 0.23 -0.70 -4.86 115.26 105.87 1zit n ASN 70 Ca -0.04 -2.03 -0.08 0.00 -0.53 0.00 0.00 54.58 51.90 1zit n ASN 70 Cb 0.73 -0.12 0.07 0.00 -2.08 0.00 0.00 39.78 38.37 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 -0.55 -2.54 0.28 0.53 7.64 0.19 -4.96 113.62 114.21 1zit n SER 71 Ca 0.04 -3.21 0.17 0.00 1.01 0.00 0.00 58.87 56.87 1zit n SER 71 Cb 0.44 1.73 0.75 0.00 -1.01 0.00 0.00 64.21 66.12 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 -1.00 1.43 0.11 -1.67 -2.57 132.00 131.88 1zit h PRO 72 Ca -0.15 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.43 1zit h PRO 72 Cb 1.07 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.87 1zit h PRO 72 CO 0.21 0.04 0.67 -3.47 -0.21 0.00 0.00 178.00 175.24 1zit n ASP 73 N -3.18 3.91 0.00 -2.05 2.03 -1.26 -4.93 116.55 111.08 1zit n ASP 73 Ca -0.00 -3.62 0.00 0.00 0.52 0.00 0.00 54.79 51.69 1zit n ASP 73 Cb 0.28 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 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 -1.14 1.21 -3.71 1.67 2.88 -0.97 -4.73 113.62 108.83 1zit n SER 74 Ca 0.60 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 58.02 1zit n SER 74 Cb 1.63 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 65.00 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 1.42 -0.01 -0.30 2.46 1.01 0.30 -4.86 120.40 120.43 1zit s VAL 75 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1zit s VAL 75 Cb 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1zit s VAL 75 CO 0.00 0.01 0.08 -0.69 0.00 0.00 0.00 175.10 174.50 1zit s VAL 76 N 0.62 3.90 -0.07 2.92 1.01 -1.26 0.51 120.40 128.03 1zit s VAL 76 Ca -0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1zit s VAL 76 Cb -0.05 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1zit s VAL 76 CO -0.04 0.03 -0.09 -0.38 0.00 0.00 0.00 175.10 174.62 1zit n ILE 77 N 4.85 0.67 -2.80 2.22 2.08 -0.69 0.18 119.36 125.87 1zit n ILE 77 Ca -0.14 0.36 -0.03 0.00 0.56 0.00 0.00 62.75 63.50 1zit n ILE 77 Cb 0.47 -1.92 -0.02 0.00 -0.75 0.00 0.00 39.64 37.42 1zit n ILE 77 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1zit n VAL 78 N -3.36 -8.68 -4.71 1.39 0.31 -1.26 -4.47 118.33 97.55 1zit n VAL 78 Ca -0.04 1.71 -0.25 0.00 -0.01 0.00 0.00 64.34 65.76 1zit n VAL 78 Cb 0.14 -5.23 -0.15 0.00 -0.91 0.00 0.00 33.84 27.69 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 -0.68 1.46 0.00 2.52 1.01 -0.78 -4.35 121.20 120.38 1zit s ILE 79 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1zit s ILE 79 Cb 0.01 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1zit s ILE 79 CO 0.52 0.27 0.00 0.35 0.00 0.00 0.00 174.94 176.08 1zit n THR 80 N 2.25 0.00 -3.85 2.92 -2.24 -1.26 -4.05 114.28 108.05 1zit n THR 80 Ca -0.16 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1zit n THR 80 Cb 0.54 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 1zit n THR 80 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1zit s GLY 81 N 0.00 2.68 -0.20 3.38 0.00 -1.26 -4.82 107.32 107.09 1zit s GLY 81 Ca 0.00 -3.50 0.12 0.00 0.00 0.00 0.00 44.72 41.34 1zit s GLY 81 CO 0.00 1.07 1.21 1.57 0.00 0.00 0.00 173.10 176.95 1zit n HIS 82 N 2.78 0.37 -0.11 1.90 -0.00 -1.26 -4.91 115.22 113.99 1zit n HIS 82 Ca 0.12 -1.51 0.00 0.00 0.46 0.00 0.00 57.72 56.79 1zit n HIS 82 Cb 0.35 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1zit n GLY 83 N -0.91 0.98 2.65 1.57 0.00 -1.26 -5.10 105.19 103.13 1zit n GLY 83 Ca 0.21 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1zit n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zit s SER 84 N -2.02 2.44 -0.15 1.61 1.04 -1.26 -4.99 113.70 110.37 1zit s SER 84 Ca 0.00 -0.83 0.19 0.00 0.48 0.00 0.00 55.95 55.78 1zit s SER 84 Cb 0.00 0.04 -0.26 0.00 0.10 0.00 0.00 66.02 65.90 1zit s SER 84 CO 0.00 -0.39 0.20 1.33 0.98 0.00 0.00 173.24 175.36 1zit n VAL 85 N 5.28 1.12 1.72 5.02 0.24 -1.26 -4.19 118.33 126.27 1zit n VAL 85 Ca -0.05 -0.78 0.11 0.00 -2.04 0.00 0.00 64.34 61.58 1zit n VAL 85 Cb 0.46 -0.40 0.54 0.00 -1.47 0.00 0.00 33.84 32.96 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 -2.67 0.63 -0.01 -1.34 2.03 -1.26 -3.38 116.55 110.55 1zit n ASP 86 Ca -0.26 -1.47 -0.18 0.00 0.52 0.00 0.00 54.79 53.40 1zit n ASP 86 Cb 1.03 -0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 41.26 1zit n ASP 86 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1zit n THR 87 N -0.40 1.73 0.35 5.18 5.66 -1.26 -3.30 114.28 122.25 1zit n THR 87 Ca 0.16 -0.69 -0.18 0.00 -3.05 0.00 0.00 64.05 60.29 1zit n THR 87 Cb 0.17 -1.55 -0.09 0.00 -1.55 0.00 0.00 70.33 67.32 1zit n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zit h ALA 88 N 0.30 -0.98 0.00 1.79 0.00 -1.76 -0.43 119.26 118.17 1zit h ALA 88 Ca -0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1zit h ALA 88 Cb 2.03 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 20.30 1zit h ALA 88 CO 0.08 -1.07 -0.03 -0.39 0.00 0.00 0.00 179.25 177.84 1zit h VAL 89 N -0.96 0.61 0.00 0.00 -1.51 -1.75 0.74 116.25 113.39 1zit h VAL 89 Ca -0.08 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1zit h VAL 89 Cb 0.78 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1zit h VAL 89 CO 0.08 0.03 -0.11 0.50 -1.23 0.00 0.00 177.57 176.83 1zit h LYS 90 N 0.00 0.00 0.00 5.19 3.64 -1.38 -2.79 116.57 121.22 1zit h LYS 90 Ca -0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1zit h LYS 90 Cb 0.07 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1zit h LYS 90 CO 0.00 0.00 -1.79 0.00 -2.27 0.00 0.00 179.45 175.40 1zit n ALA 91 N -2.00 1.72 0.14 5.00 0.00 -0.23 -4.48 120.51 120.65 1zit n ALA 91 Ca 0.04 -0.76 0.05 0.00 0.00 0.00 0.00 53.44 52.78 1zit n ALA 91 Cb 0.50 0.01 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 0.53 -0.24 0.00 3.07 0.31 -3.28 117.51 117.90 1zit h ILE 92 Ca -0.31 -1.78 -0.12 0.00 1.55 0.00 0.00 64.86 64.19 1zit h ILE 92 Cb 1.70 2.19 -0.01 0.00 -0.27 0.00 0.00 36.82 40.43 1zit h ILE 92 CO 0.02 0.30 -0.37 0.07 -1.05 0.00 0.00 178.15 177.12 1zit h LYS 93 N 0.00 0.53 -0.06 0.16 2.10 -1.67 -2.52 116.57 115.11 1zit h LYS 93 Ca -0.02 -0.25 0.02 0.00 -2.00 0.00 0.00 60.65 58.39 1zit h LYS 93 Cb 1.28 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1zit h LYS 93 CO 0.04 0.82 0.05 0.87 -2.00 0.00 0.00 179.45 179.23 1zit h LYS 94 N 0.44 0.00 0.00 0.07 1.79 -1.78 -3.44 116.57 113.65 1zit h LYS 94 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1zit h LYS 94 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1zit h LYS 94 CO 0.07 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.85 1zit n GLY 95 N -1.44 0.37 0.00 3.86 0.00 -1.03 -4.90 105.19 102.05 1zit n GLY 95 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.22 4.61 0.00 -0.98 -4.75 120.51 118.17 1zit n ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -0.81 1.17 0.00 0.00 9.36 0.47 -4.85 117.16 122.51 1zit n TYR 97 Ca 0.00 -1.28 0.00 0.00 3.32 0.00 0.00 57.90 59.94 1zit n TYR 97 Cb 0.00 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.27 1zit n TYR 97 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1zit n GLU 98 N -0.83 0.00 -3.14 2.98 0.28 -1.26 -4.83 120.64 113.84 1zit n GLU 98 Ca 0.30 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.84 1zit n GLU 98 Cb 1.02 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.86 1zit n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1zit s PHE 99 N -2.81 3.25 -0.77 -1.84 5.36 -1.26 -4.66 117.98 115.26 1zit s PHE 99 Ca 0.00 -1.36 -0.27 0.00 -0.96 0.00 0.00 56.93 54.34 1zit s PHE 99 Cb 0.00 -4.01 -0.16 0.00 -0.34 0.00 0.00 43.02 38.51 1zit s PHE 99 CO 0.00 -1.24 2.52 -0.11 -1.46 0.00 0.00 175.22 174.94 1zit n LEU 100 N 5.66 1.14 -4.11 6.12 7.94 -1.26 -4.84 117.00 127.65 1zit n LEU 100 Ca 0.04 -0.28 -0.41 0.00 -1.11 0.00 0.00 56.01 54.25 1zit n LEU 100 Cb 0.45 -1.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.15 1zit n LEU 100 CO 0.49 -1.27 0.77 -1.84 -1.11 0.00 0.00 177.39 174.43 1zit n GLU 101 N 8.53 3.62 -2.91 1.96 0.28 -1.26 -4.63 120.64 126.23 1zit n GLU 101 Ca 0.52 -4.52 -0.12 0.00 -0.16 0.00 0.00 57.16 52.89 1zit n GLU 101 Cb 0.29 -2.49 0.04 0.00 1.43 0.00 0.00 31.44 30.71 1zit n GLU 101 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1zit n LYS 102 N 1.99 1.01 -1.70 3.44 5.02 -1.26 -5.08 118.16 121.58 1zit n LYS 102 Ca 0.25 -2.53 -0.18 0.00 -2.02 0.00 0.00 58.31 53.83 1zit n LYS 102 Cb 0.37 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zit s PRO 103 N -0.89 1.87 0.00 1.97 0.04 -1.26 -4.60 135.00 132.13 1zit s PRO 103 Ca 0.29 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1zit s PRO 103 Cb 0.32 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1zit s PRO 103 CO -0.06 -4.13 0.00 1.19 0.04 0.00 0.00 177.00 174.04 1zit n PHE 104 N 17.35 0.00 -2.68 0.56 3.72 -1.26 -5.01 117.46 130.14 1zit n PHE 104 Ca 0.45 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.82 1zit n PHE 104 Cb 0.45 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.11 1zit n PHE 104 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1zit n SER 105 N -2.22 -1.54 -0.64 4.37 3.41 -1.26 -4.97 113.62 110.77 1zit n SER 105 Ca 0.00 -2.27 -0.04 0.00 -0.26 0.00 0.00 58.87 56.30 1zit n SER 105 Cb 0.00 0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 1zit n SER 105 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1zit n VAL 106 N -1.36 0.00 0.05 -3.33 3.14 -1.26 -4.72 118.33 110.85 1zit n VAL 106 Ca -0.15 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.02 1zit n VAL 106 Cb 0.87 -0.61 -0.15 0.00 -1.06 0.00 0.00 33.84 32.90 1zit n VAL 106 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1zit h GLU 107 N 0.00 0.32 -0.42 1.45 4.22 -1.93 -2.76 114.58 115.46 1zit h GLU 107 Ca -0.09 -0.54 -0.03 0.00 0.08 0.00 0.00 59.36 58.78 1zit h GLU 107 Cb 0.48 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1zit h GLU 107 CO 0.13 1.26 0.15 0.00 -2.18 0.00 0.00 179.01 178.37 1zit h ARG 108 N -0.28 0.60 -0.28 1.92 2.47 -1.89 -1.94 114.38 114.98 1zit h ARG 108 Ca -0.21 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.41 1zit h ARG 108 Cb 1.75 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.95 1zit h ARG 108 CO 0.14 0.51 0.11 0.35 0.56 0.00 0.00 179.97 181.65 1zit h PHE 109 N 0.60 0.44 -1.03 3.04 3.57 -1.90 -2.08 116.94 119.56 1zit h PHE 109 Ca 0.14 -0.03 0.26 0.00 3.53 0.00 0.00 57.97 61.87 1zit h PHE 109 Cb 0.15 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 38.66 1zit h PHE 109 CO 0.01 0.44 0.65 1.25 -2.23 0.00 0.00 178.31 178.43 1zit h LEU 110 N 0.31 0.50 -0.21 0.59 6.46 -1.04 0.23 115.31 122.15 1zit h LEU 110 Ca 0.09 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1zit h LEU 110 Cb 0.19 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1zit h LEU 110 CO -0.01 0.09 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.75 1zit h LEU 111 N 0.44 0.44 -0.98 2.25 4.07 -1.16 -2.98 115.31 117.39 1zit h LEU 111 Ca 0.61 -0.40 0.28 0.00 0.08 0.00 0.00 57.88 58.44 1zit h LEU 111 Cb 1.43 -0.12 -0.14 0.00 1.08 0.00 0.00 40.66 42.92 1zit h LEU 111 CO -0.34 0.74 0.52 0.74 -1.08 0.00 0.00 178.44 179.03 1zit h THR 112 N 0.13 0.40 0.39 0.22 2.02 -0.03 0.89 112.91 116.93 1zit h THR 112 Ca 0.05 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1zit h THR 112 Cb 0.57 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1zit h THR 112 CO 0.03 0.07 -0.19 0.40 0.37 0.00 0.00 175.52 176.21 1zit h ILE 113 N 0.41 0.00 0.00 3.11 1.08 -1.32 0.47 117.51 121.26 1zit h ILE 113 Ca 0.67 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 65.09 1zit h ILE 113 Cb 1.39 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1zit h ILE 113 CO -0.56 0.00 0.14 1.17 -0.69 0.00 0.00 178.15 178.21 1zit n LYS 114 N -3.54 0.12 -0.01 2.37 0.00 -0.55 0.46 118.16 117.00 1zit n LYS 114 Ca -0.06 0.61 -0.10 0.00 0.00 0.00 0.00 58.31 58.76 1zit n LYS 114 Cb 0.21 -2.03 -0.14 0.00 0.00 0.00 0.00 35.03 33.07 1zit n LYS 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1zit h HIS 115 N 0.00 0.05 0.09 5.64 2.76 0.13 -3.20 115.15 120.62 1zit h HIS 115 Ca 0.00 -0.04 -0.25 0.00 -2.20 0.00 0.00 60.37 57.88 1zit h HIS 115 Cb 0.27 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1zit h HIS 115 CO 0.00 1.07 -1.15 0.00 -1.30 0.00 0.00 177.93 176.55 1zit h ALA 116 N 0.92 0.19 0.00 5.26 0.00 0.49 0.25 119.26 126.36 1zit h ALA 116 Ca -0.27 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.67 1zit h ALA 116 Cb 2.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1zit h ALA 116 CO 0.09 1.01 -0.49 0.74 0.00 0.00 0.00 179.25 180.59 1zit h PHE 117 N 0.07 0.00 0.00 0.00 0.04 -0.86 -2.19 116.94 114.00 1zit h PHE 117 Ca -0.10 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.29 1zit h PHE 117 Cb 1.88 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.96 1zit h PHE 117 CO 0.05 0.49 -2.42 0.39 -0.60 0.00 0.00 178.31 176.22 1zit n GLU 118 N -3.89 0.67 -0.49 1.51 -0.58 -1.21 -4.10 120.64 112.55 1zit n GLU 118 Ca -0.01 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1zit n GLU 118 Cb 0.52 -1.53 0.23 0.00 -0.57 0.00 0.00 31.44 30.09 1zit n GLU 118 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1zit n GLU 119 N -3.05 3.14 -2.42 3.49 -0.58 0.87 -4.01 120.64 118.08 1zit n GLU 119 Ca -0.40 -1.81 -0.02 0.00 -0.42 0.00 0.00 57.16 54.51 1zit n GLU 119 Cb 1.06 -1.88 0.08 0.00 -0.57 0.00 0.00 31.44 30.13 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 0.42 -0.96 -1.49 -0.32 4.19 -0.82 -4.92 117.16 113.24 1zit n TYR 120 Ca 0.16 -1.58 0.00 0.00 3.31 0.00 0.00 57.90 59.79 1zit n TYR 120 Cb 0.75 0.94 0.00 0.00 0.49 0.00 0.00 39.34 41.53 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22