#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zit n LYS 2 N 0.00 -4.63 -3.76 0.03 4.01 -1.26 -4.67 118.16 107.88 1zit n LYS 2 Ca 0.00 3.34 -0.13 0.00 -0.51 0.00 0.00 58.31 61.01 1zit n LYS 2 Cb 0.00 -3.63 -0.11 0.00 -0.51 0.00 0.00 35.03 30.78 1zit n LYS 2 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1zit s ARG 3 N -2.01 0.41 0.26 1.97 3.03 -1.26 -2.58 118.95 118.77 1zit s ARG 3 Ca 0.00 0.40 0.08 0.00 2.03 0.00 0.00 55.73 58.24 1zit s ARG 3 Cb 0.00 0.20 -0.05 0.00 -1.03 0.00 0.00 34.95 34.06 1zit s ARG 3 CO 0.00 -0.06 -0.12 0.08 -1.13 0.00 0.00 175.30 174.08 1zit s VAL 4 N 0.04 1.86 -0.17 4.99 1.01 -0.12 -3.99 120.40 124.02 1zit s VAL 4 Ca -0.01 -2.21 0.01 0.00 0.00 0.00 0.00 61.98 59.77 1zit s VAL 4 Cb -0.03 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1zit s VAL 4 CO 0.01 -0.42 -0.20 -0.22 0.00 0.00 0.00 175.10 174.27 1zit s LEU 5 N -3.42 2.14 -0.24 3.92 2.96 0.13 -2.21 118.68 121.96 1zit s LEU 5 Ca 0.27 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 1zit s LEU 5 Cb 0.01 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1zit s LEU 5 CO 0.11 0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.60 1zit s VAL 6 N 1.12 4.88 -0.37 1.68 1.01 -1.26 0.11 120.40 127.57 1zit s VAL 6 Ca 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1zit s VAL 6 Cb -0.14 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1zit s VAL 6 CO -0.09 0.34 0.15 -0.69 0.00 0.00 0.00 175.10 174.81 1zit s VAL 7 N 1.31 3.52 0.15 2.92 1.01 -0.65 0.22 120.40 128.88 1zit s VAL 7 Ca 0.06 -1.58 0.10 0.00 0.00 0.00 0.00 61.98 60.56 1zit s VAL 7 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1zit s VAL 7 CO 0.05 -0.42 -0.20 -0.62 0.00 0.00 0.00 175.10 173.92 1zit s ASP 8 N 1.69 3.73 -0.05 3.32 2.15 -1.26 0.18 116.67 126.43 1zit s ASP 8 Ca 0.02 -0.67 -0.05 0.00 0.43 0.00 0.00 52.55 52.27 1zit s ASP 8 Cb -0.22 -0.44 -0.21 0.00 -0.30 0.00 0.00 42.92 41.76 1zit s ASP 8 CO -0.01 0.15 3.38 -0.67 -0.17 0.00 0.00 175.17 177.85 1zit n ASP 9 N 0.56 5.40 -2.06 -0.34 2.03 -1.17 -3.26 116.55 117.71 1zit n ASP 9 Ca -0.14 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 52.61 1zit n ASP 9 Cb 0.54 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1zit n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zit n GLU 10 N 2.21 -5.14 0.00 -0.67 1.02 -1.25 -4.78 120.64 112.03 1zit n GLU 10 Ca 0.40 3.70 0.00 0.00 -0.02 0.00 0.00 57.16 61.24 1zit n GLU 10 Cb 0.84 -4.14 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 1zit n GLU 10 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1zit n GLU 11 N 1.77 0.00 -3.36 3.49 0.00 -1.26 -5.00 120.64 116.28 1zit n GLU 11 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 1zit n GLU 11 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.51 1zit n GLU 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1zit n SER 12 N 0.00 -5.70 -1.27 4.31 2.88 -1.26 -4.71 113.62 107.87 1zit n SER 12 Ca 0.00 -0.76 0.15 0.00 -1.33 0.00 0.00 58.87 56.93 1zit n SER 12 Cb 0.00 -4.85 -0.06 0.00 -0.75 0.00 0.00 64.21 58.56 1zit n SER 12 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1zit n ILE 13 N -3.53 -0.08 -2.73 2.46 2.08 -1.26 -4.59 119.36 111.71 1zit n ILE 13 Ca -0.11 0.43 -0.43 0.00 0.56 0.00 0.00 62.75 63.21 1zit n ILE 13 Cb 0.62 -0.82 -0.03 0.00 -0.75 0.00 0.00 39.64 38.67 1zit n ILE 13 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1zit s THR 14 N -3.36 4.66 0.50 1.39 -4.23 -1.26 -4.99 115.64 108.34 1zit s THR 14 Ca 0.00 1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 62.03 1zit s THR 14 Cb 0.00 -4.29 -0.08 0.00 1.34 0.00 0.00 72.50 69.47 1zit s THR 14 CO 0.00 -0.28 1.05 -1.20 -0.54 0.00 0.00 174.62 173.65 1zit n SER 15 N 6.44 1.35 -0.10 3.99 7.64 -1.26 -2.17 113.62 129.52 1zit n SER 15 Ca 0.10 0.95 -0.01 0.00 1.01 0.00 0.00 58.87 60.92 1zit n SER 15 Cb 0.47 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.26 1zit n SER 15 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1zit n SER 16 N -0.10 -5.07 -0.10 6.43 2.88 -1.26 -4.83 113.62 111.58 1zit n SER 16 Ca 0.10 0.03 -0.18 0.00 -1.33 0.00 0.00 58.87 57.49 1zit n SER 16 Cb 0.43 -2.68 -0.09 0.00 -0.75 0.00 0.00 64.21 61.12 1zit n SER 16 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1zit n LEU 17 N -0.14 1.85 -0.04 2.46 0.00 -0.92 -3.61 117.00 116.59 1zit n LEU 17 Ca -0.01 0.47 -0.10 0.00 0.00 0.00 0.00 56.01 56.37 1zit n LEU 17 Cb 0.36 -0.94 -0.04 0.00 0.00 0.00 0.00 43.42 42.80 1zit n LEU 17 CO 0.02 0.12 0.63 -1.28 0.00 0.00 0.00 177.39 176.88 1zit h SER 18 N -1.00 -1.09 -0.92 1.96 0.87 -1.89 0.13 113.55 111.60 1zit h SER 18 Ca -0.28 0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1zit h SER 18 Cb 1.14 0.48 -0.07 0.00 -0.44 0.00 0.00 62.40 63.50 1zit h SER 18 CO -0.17 -0.36 0.57 0.00 -0.53 0.00 0.00 176.83 176.34 1zit h ALA 19 N 0.48 1.32 0.30 6.23 0.00 -1.95 0.05 119.26 125.69 1zit h ALA 19 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zit h ALA 19 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1zit h ALA 19 CO -0.43 0.25 -0.15 0.82 0.00 0.00 0.00 179.25 179.75 1zit h ILE 20 N 0.97 0.00 -0.92 0.00 2.04 -1.25 -1.72 117.51 116.63 1zit h ILE 20 Ca 0.43 -0.04 0.27 0.00 1.00 0.00 0.00 64.86 66.52 1zit h ILE 20 Cb 0.32 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1zit h ILE 20 CO -0.22 0.00 0.73 -0.07 0.00 0.00 0.00 178.15 178.59 1zit h LEU 21 N -0.44 0.00 -0.73 1.44 3.38 -0.70 1.01 115.31 119.26 1zit h LEU 21 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1zit h LEU 21 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1zit h LEU 21 CO 0.07 0.00 -0.52 -0.33 0.09 0.00 0.00 178.44 177.75 1zit h GLU 22 N 0.00 0.00 0.11 1.13 5.08 -0.74 0.87 114.58 121.03 1zit h GLU 22 Ca 0.43 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.52 1zit h GLU 22 Cb 1.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1zit h GLU 22 CO -0.00 0.52 -1.33 1.49 -1.00 0.00 0.00 179.01 178.68 1zit h GLU 23 N 0.00 0.22 0.01 2.33 4.81 0.20 -3.33 114.58 118.82 1zit h GLU 23 Ca -0.01 -0.38 -0.27 0.00 -0.13 0.00 0.00 59.36 58.57 1zit h GLU 23 Cb 1.07 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1zit h GLU 23 CO 0.07 1.13 -1.52 0.93 -0.73 0.00 0.00 179.01 178.89 1zit h GLU 24 N 0.06 0.02 -1.64 1.92 4.39 -1.19 -3.49 114.58 114.64 1zit h GLU 24 Ca -0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1zit h GLU 24 Cb 1.97 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1zit h GLU 24 CO 0.18 0.68 0.00 0.41 -1.16 0.00 0.00 179.01 179.12 1zit n GLY 25 N 1.52 0.88 1.42 -3.84 0.00 0.29 -5.08 105.19 100.37 1zit n GLY 25 Ca -0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.81 -0.65 -3.61 1.61 4.01 -0.17 -4.81 117.16 112.73 1zit n TYR 26 Ca 0.00 -0.90 -0.28 0.00 -0.16 0.00 0.00 57.90 56.55 1zit n TYR 26 Cb 0.27 -0.16 -0.12 0.00 -0.31 0.00 0.00 39.34 39.03 1zit n TYR 26 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1zit s HIS 27 N -1.24 1.90 -0.29 -0.72 3.76 -1.06 -4.87 115.29 112.76 1zit s HIS 27 Ca 0.08 -2.53 -0.25 0.00 -0.15 0.00 0.00 55.06 52.21 1zit s HIS 27 Cb -0.01 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1zit s HIS 27 CO 0.05 -0.75 0.86 -1.25 -0.85 0.00 0.00 174.74 172.81 1zit s PRO 28 N -0.13 4.03 0.00 8.40 0.04 -1.24 -0.95 135.00 145.16 1zit s PRO 28 Ca 0.25 0.78 0.23 0.00 0.04 0.00 0.00 61.00 62.30 1zit s PRO 28 Cb -0.09 -3.71 0.16 0.00 0.04 0.00 0.00 34.50 30.90 1zit s PRO 28 CO -0.11 -0.69 1.17 -3.47 0.04 0.00 0.00 177.00 173.93 1zit n ASP 29 N 6.31 0.89 -0.87 6.66 2.03 -0.94 -4.95 116.55 125.67 1zit n ASP 29 Ca 0.06 -0.73 0.09 0.00 0.52 0.00 0.00 54.79 54.73 1zit n ASP 29 Cb 0.48 0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 41.44 1zit n ASP 29 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zit n THR 30 N -1.32 0.00 -1.56 5.18 -2.24 -1.25 -4.85 114.28 108.25 1zit n THR 30 Ca 0.06 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1zit n THR 30 Cb 0.34 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.16 0.00 0.00 6.98 0.00 0.60 -4.56 120.51 121.37 1zit n ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1zit n ALA 31 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1zit n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zit n LYS 32 N 0.00 0.00 -4.00 0.00 5.02 -1.20 -4.03 118.16 113.95 1zit n LYS 32 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1zit n LYS 32 Cb 0.00 -0.29 -0.05 0.00 -0.02 0.00 0.00 35.03 34.67 1zit n LYS 32 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zit s THR 33 N -1.30 0.00 0.52 -0.18 2.01 -1.25 -3.04 115.64 112.40 1zit s THR 33 Ca 0.00 -1.40 0.24 0.00 0.31 0.00 0.00 61.69 60.84 1zit s THR 33 Cb 0.00 -2.20 0.30 0.00 0.01 0.00 0.00 72.50 70.61 1zit s THR 33 CO 0.00 0.00 2.17 -0.07 -0.69 0.00 0.00 174.62 176.03 1zit h LEU 34 N 2.25 0.00 0.01 4.42 3.38 -1.95 0.80 115.31 124.22 1zit h LEU 34 Ca -0.26 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.54 1zit h LEU 34 Cb 1.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 1zit h LEU 34 CO 0.35 0.05 -0.69 0.03 0.09 0.00 0.00 178.44 178.27 1zit h ARG 35 N 0.00 0.45 0.00 1.13 2.47 -1.99 -1.99 114.38 114.45 1zit h ARG 35 Ca -0.00 -0.50 -0.09 0.00 -1.26 0.00 0.00 59.98 58.13 1zit h ARG 35 Cb 0.11 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1zit h ARG 35 CO 0.01 1.15 -0.44 1.49 0.56 0.00 0.00 179.97 182.74 1zit h GLU 36 N -0.05 0.00 0.02 0.04 4.57 -1.74 -2.67 114.58 114.75 1zit h GLU 36 Ca -0.09 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.87 1zit h GLU 36 Cb 1.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1zit h GLU 36 CO 0.14 0.44 -0.94 0.00 -1.18 0.00 0.00 179.01 177.46 1zit h ALA 37 N 1.56 0.41 -0.33 2.92 0.00 0.58 -2.40 119.26 122.01 1zit h ALA 37 Ca -0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 1zit h ALA 37 Cb 1.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1zit h ALA 37 CO 0.06 0.89 -0.33 0.93 0.00 0.00 0.00 179.25 180.80 1zit h GLU 38 N 0.15 0.81 -0.71 0.00 5.08 -1.29 0.18 114.58 118.80 1zit h GLU 38 Ca -0.07 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1zit h GLU 38 Cb 1.59 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 1zit h GLU 38 CO 0.15 1.06 0.36 -0.22 -1.00 0.00 0.00 179.01 179.36 1zit h LYS 39 N 0.59 1.00 -0.07 2.33 3.11 -1.49 0.75 116.57 122.81 1zit h LYS 39 Ca 0.05 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.71 1zit h LYS 39 Cb 0.91 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1zit h LYS 39 CO 0.08 0.76 -0.20 0.87 -2.81 0.00 0.00 179.45 178.16 1zit h LYS 40 N 1.00 0.25 0.00 1.90 1.79 -1.21 -3.20 116.57 117.11 1zit h LYS 40 Ca 0.25 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 1zit h LYS 40 Cb 0.08 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1zit h LYS 40 CO -0.04 0.80 -0.35 0.82 -1.08 0.00 0.00 179.45 179.61 1zit h ILE 41 N -0.25 1.05 -1.14 1.86 2.04 -0.39 -0.99 117.51 119.69 1zit h ILE 41 Ca -0.01 -1.28 0.33 0.00 1.00 0.00 0.00 64.86 64.90 1zit h ILE 41 Cb 0.82 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1zit h ILE 41 CO 0.04 0.34 0.87 0.50 0.00 0.00 0.00 178.15 179.90 1zit h LYS 42 N 0.00 0.00 0.00 2.37 3.64 0.53 -2.97 116.57 120.14 1zit h LYS 42 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1zit h LYS 42 Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1zit h LYS 42 CO 0.05 0.00 -1.24 0.39 -2.27 0.00 0.00 179.45 176.37 1zit n GLU 43 N -4.03 0.10 -2.64 1.90 1.02 -1.12 -4.97 120.64 110.89 1zit n GLU 43 Ca 0.24 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.99 1zit n GLU 43 Cb 1.25 -0.90 -0.02 0.00 -0.02 0.00 0.00 31.44 31.74 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 -5.66 3.79 -1.18 -4.62 2.01 -0.39 -4.92 118.68 107.70 1zit s LEU 44 Ca -0.06 0.67 -0.12 0.00 0.01 0.00 0.00 54.13 54.63 1zit s LEU 44 Cb 0.02 -3.50 -0.07 0.00 0.01 0.00 0.00 46.19 42.65 1zit s LEU 44 CO 0.09 -1.07 2.33 0.33 1.01 0.00 0.00 176.35 179.03 1zit n PHE 45 N 7.36 2.16 -1.68 0.29 7.35 -1.26 -4.30 117.46 127.39 1zit n PHE 45 Ca 0.11 -2.43 -0.46 0.00 -0.76 0.00 0.00 57.45 53.91 1zit n PHE 45 Cb 0.48 -2.07 -0.04 0.00 0.35 0.00 0.00 39.48 38.20 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 5.06 2.36 0.08 -5.13 3.72 -1.26 -4.89 117.46 117.40 1zit n PHE 46 Ca 0.56 0.09 -0.11 0.00 -0.05 0.00 0.00 57.45 57.95 1zit n PHE 46 Cb 0.26 -2.62 -0.04 0.00 -0.94 0.00 0.00 39.48 36.14 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 7.58 0.28 -3.97 -1.08 0.13 -1.91 -3.43 132.00 129.60 1zit h PRO 47 Ca -0.46 -0.32 -0.56 0.00 -0.87 0.00 0.00 66.00 63.79 1zit h PRO 47 Cb 1.25 0.09 -0.39 0.00 0.13 0.00 0.00 31.00 32.09 1zit h PRO 47 CO 0.92 1.04 -0.78 0.08 -0.23 0.00 0.00 178.00 179.03 1zit s VAL 48 N -3.17 1.01 -0.02 1.56 1.01 -1.26 0.14 120.40 119.68 1zit s VAL 48 Ca -0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1zit s VAL 48 Cb 0.09 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1zit s VAL 48 CO 0.85 -0.10 0.27 -0.63 0.00 0.00 0.00 175.10 175.49 1zit s ILE 49 N 1.64 5.28 0.25 2.22 -1.09 -1.08 0.18 121.20 128.61 1zit s ILE 49 Ca -0.02 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.79 1zit s ILE 49 Cb -0.17 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1zit s ILE 49 CO -0.07 0.48 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.40 1zit s VAL 50 N -1.19 1.31 0.05 2.92 1.01 0.29 -0.20 120.40 124.60 1zit s VAL 50 Ca 0.24 -2.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.11 1zit s VAL 50 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1zit s VAL 50 CO 0.12 -0.32 0.05 -0.22 0.00 0.00 0.00 175.10 174.73 1zit s LEU 51 N -3.37 2.07 -0.42 3.92 2.96 -1.26 -1.64 118.68 120.95 1zit s LEU 51 Ca 0.29 -0.76 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1zit s LEU 51 Cb 0.05 0.47 0.17 0.00 0.50 0.00 0.00 46.19 47.38 1zit s LEU 51 CO 0.10 -0.57 0.38 -0.67 -1.32 0.00 0.00 176.35 174.26 1zit n ASP 52 N 0.39 -0.78 -3.39 3.68 -0.08 0.48 0.24 116.55 117.09 1zit n ASP 52 Ca -0.16 -2.42 -0.32 0.00 -1.51 0.00 0.00 54.79 50.37 1zit n ASP 52 Cb 0.60 -0.33 -0.06 0.00 2.34 0.00 0.00 41.12 43.67 1zit n ASP 52 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1zit n VAL 53 N 2.84 1.07 0.00 5.18 0.24 -1.16 -3.31 118.33 123.19 1zit n VAL 53 Ca 0.29 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1zit n VAL 53 Cb 0.49 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.81 1zit n VAL 53 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1zit n TRP 54 N 6.90 0.00 -2.77 6.34 -0.00 -1.26 -4.54 117.44 122.11 1zit n TRP 54 Ca 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.79 1zit n TRP 54 Cb 0.29 -0.28 0.05 0.00 -0.00 0.00 0.00 31.31 31.37 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 -1.34 1.11 0.00 5.87 2.81 -1.26 -4.97 117.12 119.34 1zit n MET 55 Ca 0.00 -2.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.15 1zit n MET 55 Cb 0.00 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 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 -0.11 2.44 0.00 0.03 -0.05 -1.26 -5.06 135.00 131.00 1zit n PRO 56 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.53 1zit n PRO 56 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.24 1zit n PRO 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1zit n ASP 57 N 0.00 0.43 -4.68 3.54 8.00 -1.26 -5.10 116.55 117.48 1zit n ASP 57 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1zit n ASP 57 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.79 0.21 3.70 0.44 0.00 -1.26 -4.98 105.19 105.09 1zit n GLY 58 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.15 6.31 0.18 1.61 1.11 -1.26 -4.97 116.67 118.50 1zit s ASP 59 Ca 0.76 0.35 0.25 0.00 0.18 0.00 0.00 52.55 54.09 1zit s ASP 59 Cb -0.42 -2.16 0.90 0.00 1.07 0.00 0.00 42.92 42.32 1zit s ASP 59 CO 0.47 0.06 1.76 0.61 1.18 0.00 0.00 175.17 179.25 1zit n GLY 60 N 3.78 -1.52 0.24 0.21 0.00 -1.26 -3.66 105.19 102.98 1zit n GLY 60 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.75 -0.01 1.61 2.07 -1.89 -0.63 116.25 118.16 1zit h VAL 61 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1zit h VAL 61 Cb 0.58 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1zit h VAL 61 CO 0.00 0.07 -0.30 0.59 0.02 0.00 0.00 177.57 177.95 1zit n ASN 62 N -5.00 0.93 0.02 0.57 3.02 -1.24 -4.04 115.26 109.52 1zit n ASN 62 Ca 0.09 -0.78 -0.15 0.00 -0.03 0.00 0.00 54.58 53.71 1zit n ASN 62 Cb 0.29 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 1zit n ASN 62 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1zit h PHE 63 N 0.99 0.84 -0.79 3.10 3.57 -1.20 -3.16 116.94 120.29 1zit h PHE 63 Ca 0.00 -0.39 0.23 0.00 3.53 0.00 0.00 57.97 61.33 1zit h PHE 63 Cb 0.50 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1zit h PHE 63 CO 0.00 1.20 0.69 0.82 -2.23 0.00 0.00 178.31 178.79 1zit h ILE 64 N 0.39 0.37 -0.24 1.41 5.03 -1.64 0.39 117.51 123.22 1zit h ILE 64 Ca -0.06 0.00 -0.19 0.00 -0.12 0.00 0.00 64.86 64.49 1zit h ILE 64 Cb 1.44 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 1zit h ILE 64 CO 0.16 0.00 -0.62 -0.78 -0.68 0.00 0.00 178.15 176.23 1zit h ASP 65 N 0.00 0.93 -0.66 1.72 1.82 -1.81 -2.91 116.42 115.51 1zit h ASP 65 Ca 0.37 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1zit h ASP 65 Cb 1.74 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 41.45 1zit h ASP 65 CO -0.00 1.32 0.42 0.15 -1.61 0.00 0.00 179.24 179.52 1zit h PHE 66 N 0.61 0.84 -0.85 0.28 3.04 -0.36 1.03 116.94 121.52 1zit h PHE 66 Ca -0.01 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.01 1zit h PHE 66 Cb 1.22 -0.28 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 1zit h PHE 66 CO 0.07 0.54 0.53 0.82 -2.02 0.00 0.00 178.31 178.26 1zit h ILE 67 N 0.89 1.05 0.00 1.41 5.03 -1.43 -1.05 117.51 123.42 1zit h ILE 67 Ca 0.24 -0.34 -0.09 0.00 -0.12 0.00 0.00 64.86 64.55 1zit h ILE 67 Cb -0.08 -0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 33.69 1zit h ILE 67 CO -0.05 0.18 -0.56 0.11 -0.68 0.00 0.00 178.15 177.15 1zit h LYS 68 N 0.98 0.00 0.00 2.37 1.57 -1.17 0.83 116.57 121.15 1zit h LYS 68 Ca 0.37 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1zit h LYS 68 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1zit h LYS 68 CO -0.17 0.38 -0.20 1.49 -0.57 0.00 0.00 179.45 180.39 1zit h GLU 69 N 0.00 0.00 0.00 3.15 4.81 0.23 -3.21 114.58 119.56 1zit h GLU 69 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1zit h GLU 69 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1zit h GLU 69 CO 0.05 0.20 -0.30 0.27 -0.73 0.00 0.00 179.01 178.50 1zit n ASN 70 N -3.75 0.22 -2.71 1.04 0.23 -0.72 -4.93 115.26 104.65 1zit n ASN 70 Ca -0.02 -1.76 -0.06 0.00 -0.53 0.00 0.00 54.58 52.21 1zit n ASN 70 Cb 0.31 -0.15 0.07 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.11 -2.10 0.29 0.53 7.64 0.29 -4.97 113.62 115.19 1zit n SER 71 Ca 0.01 -2.59 0.18 0.00 1.01 0.00 0.00 58.87 57.48 1zit n SER 71 Cb 0.62 1.32 0.82 0.00 -1.01 0.00 0.00 64.21 65.96 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 3.51 0.00 -0.88 1.43 0.11 -1.65 -2.77 132.00 131.76 1zit h PRO 72 Ca -0.19 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.31 1zit h PRO 72 Cb 1.12 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.89 1zit h PRO 72 CO 0.08 0.01 0.13 -3.47 -0.21 0.00 0.00 178.00 174.54 1zit n ASP 73 N -3.11 6.33 -4.75 -2.05 -0.08 -1.26 -4.99 116.55 106.63 1zit n ASP 73 Ca -0.00 -3.77 -0.32 0.00 -1.51 0.00 0.00 54.79 49.18 1zit n ASP 73 Cb 0.25 -0.70 -0.08 0.00 2.34 0.00 0.00 41.12 42.93 1zit n ASP 73 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1zit s SER 74 N -2.59 4.13 0.55 1.67 0.15 -1.04 -4.90 113.70 111.67 1zit s SER 74 Ca 0.58 -1.61 0.06 0.00 0.70 0.00 0.00 55.95 55.68 1zit s SER 74 Cb 0.46 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 65.25 1zit s SER 74 CO 0.01 -0.82 0.48 -0.69 1.20 0.00 0.00 173.24 173.42 1zit s VAL 75 N -2.86 1.74 -0.50 4.45 1.01 0.37 -4.95 120.40 119.66 1zit s VAL 75 Ca 0.09 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 60.75 1zit s VAL 75 Cb 0.02 -2.13 0.19 0.00 0.00 0.00 0.00 36.38 34.46 1zit s VAL 75 CO 0.05 0.00 0.69 0.52 0.00 0.00 0.00 175.10 176.36 1zit n VAL 76 N -1.86 -0.15 0.16 2.92 0.31 -1.24 -2.62 118.33 115.85 1zit n VAL 76 Ca 0.02 -1.34 -0.14 0.00 -0.01 0.00 0.00 64.34 62.87 1zit n VAL 76 Cb 0.64 0.70 -0.08 0.00 -0.91 0.00 0.00 33.84 34.19 1zit n VAL 76 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1zit h ILE 77 N 4.80 0.76 -6.04 2.52 1.08 -0.89 0.63 117.51 120.37 1zit h ILE 77 Ca 0.07 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1zit h ILE 77 Cb 1.08 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1zit h ILE 77 CO 0.08 0.05 -1.00 0.52 -0.69 0.00 0.00 178.15 177.10 1zit n VAL 78 N -5.20 -4.76 -3.55 1.67 0.31 -1.26 -3.94 118.33 101.60 1zit n VAL 78 Ca -0.10 0.85 -0.20 0.00 -0.01 0.00 0.00 64.34 64.89 1zit n VAL 78 Cb 0.20 -4.08 -0.02 0.00 -0.91 0.00 0.00 33.84 29.03 1zit n VAL 78 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1zit s ILE 79 N -1.19 3.32 0.00 2.52 1.01 0.14 -3.54 121.20 123.46 1zit s ILE 79 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1zit s ILE 79 Cb -0.00 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1zit s ILE 79 CO 0.23 -0.10 0.00 0.41 0.00 0.00 0.00 174.94 175.48 1zit n THR 80 N -1.55 -0.20 0.00 2.92 -1.04 -1.26 -2.99 114.28 110.16 1zit n THR 80 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1zit n THR 80 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1zit n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zit n GLY 81 N -0.66 0.00 0.00 3.41 0.00 -1.26 -4.56 105.19 102.11 1zit n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1zit n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1zit n HIS 82 N 0.00 0.00 -1.35 1.61 8.25 -1.26 -2.74 115.22 119.73 1zit n HIS 82 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1zit n HIS 82 Cb 0.00 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 1zit n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1zit n GLY 83 N -0.69 4.51 2.65 -1.41 0.00 -1.26 -4.17 105.19 104.82 1zit n GLY 83 Ca 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 1zit n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1zit n SER 84 N 0.46 -1.03 0.13 1.61 3.41 -1.21 -5.01 113.62 111.97 1zit n SER 84 Ca 0.45 -1.54 0.04 0.00 -0.26 0.00 0.00 58.87 57.56 1zit n SER 84 Cb 0.54 1.01 0.47 0.00 -0.26 0.00 0.00 64.21 65.96 1zit n SER 84 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1zit h VAL 85 N 0.08 1.11 -0.24 -3.33 2.07 -1.68 -1.85 116.25 112.41 1zit h VAL 85 Ca -0.56 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1zit h VAL 85 Cb 1.23 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1zit h VAL 85 CO -0.18 0.14 0.01 -0.78 0.02 0.00 0.00 177.57 176.78 1zit h ASP 86 N 0.24 0.33 -0.88 0.57 1.82 -1.95 -1.94 116.42 114.61 1zit h ASP 86 Ca 0.06 -0.05 0.19 0.00 -0.39 0.00 0.00 57.03 56.85 1zit h ASP 86 Cb 0.17 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.03 1zit h ASP 86 CO 0.00 0.38 0.58 0.00 -1.61 0.00 0.00 179.24 178.60 1zit h THR 87 N 0.35 0.70 0.57 2.25 1.03 -1.73 0.39 112.91 116.47 1zit h THR 87 Ca 0.08 -0.14 -0.02 0.00 -0.01 0.00 0.00 66.41 66.32 1zit h THR 87 Cb 0.23 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.55 1zit h THR 87 CO 0.00 0.07 -0.44 0.00 -0.01 0.00 0.00 175.52 175.14 1zit h ALA 88 N 1.61 -1.17 0.00 0.00 0.00 -1.47 0.96 119.26 119.20 1zit h ALA 88 Ca 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1zit h ALA 88 Cb 1.12 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1zit h ALA 88 CO -0.16 -1.17 -0.03 -0.39 0.00 0.00 0.00 179.25 177.50 1zit h VAL 89 N -0.98 0.29 0.00 0.00 -1.51 -1.40 0.79 116.25 113.44 1zit h VAL 89 Ca -0.08 -0.16 -0.13 0.00 -1.23 0.00 0.00 66.70 65.10 1zit h VAL 89 Cb 0.82 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 1zit h VAL 89 CO 0.02 0.03 -0.98 0.50 -1.23 0.00 0.00 177.57 175.90 1zit h LYS 90 N 0.00 0.00 0.00 5.19 3.64 -0.12 -2.88 116.57 122.40 1zit h LYS 90 Ca -0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1zit h LYS 90 Cb 0.12 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1zit h LYS 90 CO 0.00 0.37 -2.15 0.00 -2.27 0.00 0.00 179.45 175.41 1zit n ALA 91 N -2.31 2.00 0.38 5.00 0.00 0.33 -4.32 120.51 121.59 1zit n ALA 91 Ca -0.04 -0.97 0.12 0.00 0.00 0.00 0.00 53.44 52.55 1zit n ALA 91 Cb 0.78 -0.46 0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -0.07 0.00 3.07 0.40 -3.30 117.51 117.60 1zit h ILE 92 Ca -0.32 -0.70 -0.14 0.00 1.55 0.00 0.00 64.86 65.25 1zit h ILE 92 Cb 1.75 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 39.52 1zit h ILE 92 CO 0.02 0.00 -0.59 0.11 -1.05 0.00 0.00 178.15 176.64 1zit h LYS 93 N 0.00 0.23 0.62 0.16 1.57 -1.69 -3.23 116.57 114.23 1zit h LYS 93 Ca 0.00 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1zit h LYS 93 Cb 0.85 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.19 1zit h LYS 93 CO 0.00 0.75 -0.30 -0.22 -0.57 0.00 0.00 179.45 179.11 1zit h LYS 94 N 0.17 -0.81 0.00 3.15 3.64 -1.76 -3.46 116.57 117.51 1zit h LYS 94 Ca -0.00 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1zit h LYS 94 Cb 1.08 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1zit h LYS 94 CO 0.09 -0.54 -0.00 0.41 -2.27 0.00 0.00 179.45 177.14 1zit n GLY 95 N -0.74 -0.66 3.59 5.01 0.00 -1.25 -5.13 105.19 106.02 1zit n GLY 95 Ca -0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.12 -1.02 4.61 0.00 -1.22 -4.82 120.51 117.93 1zit n ALA 96 Ca -0.00 -1.77 -0.18 0.00 0.00 0.00 0.00 53.44 51.48 1zit n ALA 96 Cb 0.34 0.23 0.20 0.00 0.00 0.00 0.00 19.45 20.21 1zit n ALA 96 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1zit n TYR 97 N -2.93 2.72 -1.17 0.00 9.36 0.22 -4.87 117.16 120.49 1zit n TYR 97 Ca 0.15 -1.59 0.00 0.00 3.32 0.00 0.00 57.90 59.78 1zit n TYR 97 Cb 0.54 -0.84 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 1zit n TYR 97 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1zit n GLU 98 N -0.79 -3.31 -1.81 2.98 4.07 -1.26 -4.80 120.64 115.72 1zit n GLU 98 Ca 0.51 2.42 -0.42 0.00 -0.06 0.00 0.00 57.16 59.61 1zit n GLU 98 Cb 1.53 -2.69 -0.03 0.00 -0.06 0.00 0.00 31.44 30.19 1zit n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1zit s PHE 99 N -2.21 2.92 -1.22 4.31 0.40 -1.26 -4.73 117.98 116.19 1zit s PHE 99 Ca 0.00 0.56 -0.21 0.00 -0.60 0.00 0.00 56.93 56.68 1zit s PHE 99 Cb 0.00 -4.05 -0.01 0.00 0.51 0.00 0.00 43.02 39.47 1zit s PHE 99 CO 0.00 -3.82 1.83 -1.17 0.70 0.00 0.00 175.22 172.75 1zit s LEU 100 N 0.69 3.43 1.04 -0.37 1.98 -1.23 -4.96 118.68 119.26 1zit s LEU 100 Ca 0.70 -1.98 -0.16 0.00 -2.89 0.00 0.00 54.13 49.80 1zit s LEU 100 Cb -0.47 -2.58 0.14 0.00 0.66 0.00 0.00 46.19 43.93 1zit s LEU 100 CO 0.36 -2.14 0.16 -0.62 -1.89 0.00 0.00 176.35 172.22 1zit n GLU 101 N 8.38 -2.06 -2.50 1.98 -0.58 -1.26 -4.46 120.64 120.13 1zit n GLU 101 Ca 0.46 -0.60 -0.06 0.00 -0.42 0.00 0.00 57.16 56.54 1zit n GLU 101 Cb 0.46 -1.51 0.01 0.00 -0.57 0.00 0.00 31.44 29.83 1zit n GLU 101 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1zit n LYS 102 N -1.71 -1.84 -1.26 3.49 0.00 -1.26 -4.95 118.16 110.62 1zit n LYS 102 Ca 0.04 1.75 -0.29 0.00 0.00 0.00 0.00 58.31 59.81 1zit n LYS 102 Cb 0.44 -4.61 0.18 0.00 0.00 0.00 0.00 35.03 31.04 1zit n LYS 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1zit s PRO 103 N -2.14 0.25 -1.75 1.64 0.04 -1.26 -3.74 135.00 128.04 1zit s PRO 103 Ca 0.18 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1zit s PRO 103 Cb -0.05 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1zit s PRO 103 CO 0.58 -2.80 0.00 0.34 0.04 0.00 0.00 177.00 175.15 1zit n PHE 104 N -4.19 -0.51 -3.01 0.56 -0.00 -1.26 -4.84 117.46 104.22 1zit n PHE 104 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.37 1zit n PHE 104 Cb 0.58 -3.25 0.02 0.00 -0.00 0.00 0.00 39.48 36.83 1zit n PHE 104 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1zit n SER 105 N -1.33 -0.49 0.08 -2.13 3.41 -1.24 -4.96 113.62 106.96 1zit n SER 105 Ca -0.19 -3.26 0.20 0.00 -0.26 0.00 0.00 58.87 55.36 1zit n SER 105 Cb 0.61 0.40 0.75 0.00 -0.26 0.00 0.00 64.21 65.70 1zit n SER 105 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1zit h VAL 106 N 1.84 0.48 -1.21 -3.33 3.04 -1.88 -1.40 116.25 113.79 1zit h VAL 106 Ca 0.02 0.00 0.35 0.00 -1.01 0.00 0.00 66.70 66.06 1zit h VAL 106 Cb 1.02 0.70 -0.09 0.00 -2.01 0.00 0.00 31.29 30.90 1zit h VAL 106 CO 0.36 0.00 0.82 -0.08 -1.01 0.00 0.00 177.57 177.66 1zit h GLU 107 N 0.00 0.17 -0.16 4.17 4.81 -1.93 1.21 114.58 122.85 1zit h GLU 107 Ca 0.20 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1zit h GLU 107 Cb 0.99 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1zit h GLU 107 CO -0.00 0.11 -0.61 0.00 -0.73 0.00 0.00 179.01 177.78 1zit h ARG 108 N 0.17 0.54 -0.15 1.92 3.08 -1.62 -2.90 114.38 115.42 1zit h ARG 108 Ca 0.66 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1zit h ARG 108 Cb 2.14 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.24 1zit h ARG 108 CO -0.22 0.99 0.10 0.35 -1.07 0.00 0.00 179.97 180.12 1zit h PHE 109 N 0.40 0.15 -0.58 3.04 3.57 0.13 -2.54 116.94 121.11 1zit h PHE 109 Ca -0.01 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1zit h PHE 109 Cb 1.17 -0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.75 1zit h PHE 109 CO 0.05 0.09 -0.08 1.25 -2.23 0.00 0.00 178.31 177.39 1zit h LEU 110 N 0.16 -0.41 0.50 0.59 6.46 -1.20 -1.97 115.31 119.44 1zit h LEU 110 Ca 0.06 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1zit h LEU 110 Cb 0.05 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1zit h LEU 110 CO -0.01 -0.15 -0.39 -0.07 -0.62 0.00 0.00 178.44 177.19 1zit h LEU 111 N 0.05 -1.03 -1.07 2.25 4.07 -1.61 -2.35 115.31 115.62 1zit h LEU 111 Ca 0.29 0.08 0.33 0.00 0.08 0.00 0.00 57.88 58.66 1zit h LEU 111 Cb 0.45 0.33 -0.14 0.00 1.08 0.00 0.00 40.66 42.38 1zit h LEU 111 CO -0.55 -0.57 0.61 0.74 -1.08 0.00 0.00 178.44 177.59 1zit h THR 112 N -0.88 0.29 0.00 0.22 2.02 -1.47 0.50 112.91 113.60 1zit h THR 112 Ca -0.05 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1zit h THR 112 Cb 0.75 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1zit h THR 112 CO -0.00 0.05 0.00 -0.38 0.37 0.00 0.00 175.52 175.56 1zit n ILE 113 N -4.98 0.00 0.24 3.11 2.08 -0.80 0.14 119.36 119.15 1zit n ILE 113 Ca 0.32 1.50 0.18 0.00 0.56 0.00 0.00 62.75 65.31 1zit n ILE 113 Cb 1.03 -2.47 0.86 0.00 -0.75 0.00 0.00 39.64 38.31 1zit n ILE 113 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1zit h LYS 114 N 0.00 0.00 0.00 0.38 3.11 -1.15 0.72 116.57 119.63 1zit h LYS 114 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1zit h LYS 114 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1zit h LYS 114 CO 0.00 0.00 -0.53 0.45 -2.81 0.00 0.00 179.45 176.56 1zit h HIS 115 N 0.00 0.00 0.08 1.91 3.86 0.39 -3.27 115.15 118.12 1zit h HIS 115 Ca 0.07 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.02 1zit h HIS 115 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1zit h HIS 115 CO 0.00 0.06 -1.36 0.00 0.86 0.00 0.00 177.93 177.49 1zit h ALA 116 N 1.94 0.22 0.00 2.45 0.00 0.75 -3.34 119.26 121.28 1zit h ALA 116 Ca -0.01 -1.12 -0.00 0.00 0.00 0.00 0.00 54.91 53.78 1zit h ALA 116 Cb 1.05 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1zit h ALA 116 CO 0.01 0.81 -0.01 0.74 0.00 0.00 0.00 179.25 180.80 1zit h PHE 117 N -0.48 0.00 -0.39 0.00 0.04 -1.17 -2.16 116.94 112.78 1zit h PHE 117 Ca -0.31 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.57 1zit h PHE 117 Cb 1.63 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.77 1zit h PHE 117 CO 0.12 0.01 0.44 0.93 -0.60 0.00 0.00 178.31 179.21 1zit h GLU 118 N 0.00 0.00 -1.01 1.51 5.08 -1.68 0.30 114.58 118.78 1zit h GLU 118 Ca -0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1zit h GLU 118 Cb 0.03 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.00 1zit h GLU 118 CO 0.00 0.00 0.60 0.39 -1.00 0.00 0.00 179.01 179.00 1zit n GLU 119 N -3.66 2.13 -0.64 2.33 1.02 -0.81 -4.26 120.64 116.74 1zit n GLU 119 Ca 0.07 -2.68 0.02 0.00 -0.02 0.00 0.00 57.16 54.54 1zit n GLU 119 Cb 0.61 -2.05 0.20 0.00 -0.02 0.00 0.00 31.44 30.18 1zit n GLU 119 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1zit n TYR 120 N -0.94 0.59 -0.58 -0.32 9.36 0.10 -5.01 117.16 120.35 1zit n TYR 120 Ca 0.53 -1.46 0.00 0.00 3.32 0.00 0.00 57.90 60.29 1zit n TYR 120 Cb 1.49 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 39.84 1zit n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53