#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zzi n PHE 4 N 0.00 3.36 -1.34 3.52 3.72 0.18 -4.90 117.46 122.01 2zzi n PHE 4 Ca 0.00 -3.12 -0.48 0.00 -0.05 0.00 0.00 57.45 53.81 2zzi n PHE 4 Cb 0.00 -0.77 -0.04 0.00 -0.94 0.00 0.00 39.48 37.73 2zzi n PHE 4 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2zzi n PRO 5 N -0.27 0.00 -3.63 -1.08 -0.02 -1.26 -3.63 135.00 125.10 2zzi n PRO 5 Ca 0.41 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 2zzi n PRO 5 Cb 0.37 -1.06 -0.07 0.00 -0.02 0.00 0.00 33.50 32.72 2zzi n PRO 5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2zzi s VAL 6 N -0.70 -0.00 -0.30 -1.45 0.11 -0.18 -4.95 120.40 112.94 2zzi s VAL 6 Ca 0.66 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.64 2zzi s VAL 6 Cb -0.95 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 2zzi s VAL 6 CO 0.53 0.00 0.10 -0.89 -3.33 0.00 0.00 175.10 171.51 2zzi s THR 7 N 0.69 4.17 0.36 5.04 2.01 -1.26 -0.88 115.64 125.77 2zzi s THR 7 Ca -0.02 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.48 2zzi s THR 7 Cb -0.05 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2zzi s THR 7 CO -0.04 0.10 0.07 -0.76 -0.69 0.00 0.00 174.62 173.29 2zzi s LEU 8 N 1.54 3.05 0.29 4.42 1.43 -0.65 -4.87 118.68 123.89 2zzi s LEU 8 Ca 0.03 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2zzi s LEU 8 Cb -0.17 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2zzi s LEU 8 CO 0.04 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.91 2zzi n GLY 9 N -1.04 -3.06 0.43 -3.19 0.00 -1.26 -1.09 105.19 95.98 2zzi n GLY 9 Ca -0.03 -1.23 0.24 0.00 0.00 0.00 0.00 46.02 45.00 2zzi n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2zzi h PRO 10 N -0.52 0.11 -0.37 1.61 0.11 -1.98 0.26 132.00 131.23 2zzi h PRO 10 Ca -0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2zzi h PRO 10 Cb 0.60 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2zzi h PRO 10 CO 0.03 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.17 2zzi n LEU 11 N -4.36 2.36 -3.61 2.35 4.77 -1.26 -4.97 117.00 112.28 2zzi n LEU 11 Ca 0.17 -1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 54.76 2zzi n LEU 11 Cb 0.83 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 2zzi n LEU 11 CO 0.36 0.55 -0.05 0.00 -1.33 0.00 0.00 177.39 176.93 2zzi n GLN 12 N 0.78 -1.32 -2.20 3.23 1.13 0.93 -4.98 117.38 114.94 2zzi n GLN 12 Ca 0.16 0.57 -0.28 0.00 -1.94 0.00 0.00 57.00 55.51 2zzi n GLN 12 Cb 0.40 -4.28 0.04 0.00 0.11 0.00 0.00 30.24 26.52 2zzi n GLN 12 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2zzi s GLU 13 N -5.61 2.76 -0.70 -1.09 -6.30 -0.25 -4.53 118.70 102.99 2zzi s GLU 13 Ca 0.43 0.10 -0.04 0.00 -2.50 0.00 0.00 54.97 52.96 2zzi s GLU 13 Cb -0.14 -2.17 0.18 0.00 0.00 0.00 0.00 34.13 32.00 2zzi s GLU 13 CO 0.85 -0.91 0.54 -0.80 0.02 0.00 0.00 175.26 174.96 2zzi s ASN 14 N -4.36 5.51 0.40 -1.70 0.02 0.54 -1.63 114.94 113.72 2zzi s ASN 14 Ca 0.56 -3.04 -0.24 0.00 -1.02 0.00 0.00 52.86 49.12 2zzi s ASN 14 Cb -0.11 -1.89 -0.09 0.00 0.02 0.00 0.00 41.25 39.18 2zzi s ASN 14 CO 0.47 -0.34 1.09 0.00 0.02 0.00 0.00 177.10 178.33 2zzi s ALA 15 N -0.34 3.10 -0.04 0.60 0.00 -0.06 -4.72 121.76 120.29 2zzi s ALA 15 Ca 0.19 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.97 2zzi s ALA 15 Cb -0.17 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 2zzi s ALA 15 CO -0.06 -0.32 -0.15 0.71 0.00 0.00 0.00 175.76 175.94 2zzi s TYR 16 N -1.58 1.56 -0.24 0.00 2.02 -0.79 -1.01 117.35 117.32 2zzi s TYR 16 Ca 0.58 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.70 2zzi s TYR 16 Cb -0.25 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 2zzi s TYR 16 CO 0.31 -0.17 0.21 -1.17 -1.57 0.00 0.00 175.55 173.16 2zzi s LEU 17 N 0.14 4.10 0.05 -1.29 2.96 -1.24 -0.47 118.68 122.93 2zzi s LEU 17 Ca -0.05 0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.11 2zzi s LEU 17 Cb -0.12 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 2zzi s LEU 17 CO 0.02 0.01 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.11 2zzi s VAL 18 N 1.27 2.15 -0.26 1.68 1.01 -0.82 0.52 120.40 125.94 2zzi s VAL 18 Ca 0.09 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.61 2zzi s VAL 18 Cb -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2zzi s VAL 18 CO 0.06 0.37 0.08 -0.70 0.00 0.00 0.00 175.10 174.91 2zzi s GLU 19 N -1.25 3.52 0.47 2.72 2.12 -1.26 -2.01 118.70 123.00 2zzi s GLU 19 Ca 0.12 -0.57 0.03 0.00 0.36 0.00 0.00 54.97 54.90 2zzi s GLU 19 Cb -0.10 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2zzi s GLU 19 CO 0.02 -0.26 0.03 0.95 -0.54 0.00 0.00 175.26 175.46 2zzi s THR 20 N 1.59 1.24 0.27 -1.70 -4.23 -0.69 -4.92 115.64 107.21 2zzi s THR 20 Ca 0.06 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2zzi s THR 20 Cb -0.16 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.66 2zzi s THR 20 CO 0.04 0.00 1.59 1.23 -0.54 0.00 0.00 174.62 176.94 2zzi h GLY 21 N 1.54 0.93 -1.21 3.99 0.00 -1.99 1.30 103.07 107.63 2zzi h GLY 21 Ca -0.43 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2zzi h GLY 21 CO 0.73 -0.39 0.00 1.18 0.00 0.00 0.00 176.54 178.06 2zzi n GLU 22 N -5.47 1.77 0.00 4.80 4.71 -1.26 -5.03 120.64 120.16 2zzi n GLU 22 Ca 0.17 -1.19 0.00 0.00 -0.01 0.00 0.00 57.16 56.13 2zzi n GLU 22 Cb 0.57 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 2zzi n GLU 22 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2zzi n GLY 23 N 1.03 -0.31 3.74 0.62 0.00 0.44 -4.97 105.19 105.75 2zzi n GLY 23 Ca 0.11 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2zzi n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2zzi s PRO 24 N 0.00 4.57 0.14 1.61 0.02 -1.26 -1.71 135.00 138.37 2zzi s PRO 24 Ca 0.00 1.76 0.01 0.00 0.02 0.00 0.00 61.00 62.79 2zzi s PRO 24 Cb 0.00 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 2zzi s PRO 24 CO 0.00 0.04 -0.01 0.14 -0.33 0.00 0.00 177.00 176.84 2zzi s VAL 25 N -0.22 0.59 -0.15 3.83 -7.23 -0.85 0.03 120.40 116.39 2zzi s VAL 25 Ca 0.50 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2zzi s VAL 25 Cb -0.30 -1.95 0.03 0.00 0.56 0.00 0.00 36.38 34.72 2zzi s VAL 25 CO 0.36 -0.62 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.18 2zzi s LEU 26 N -3.11 1.70 -0.29 1.32 2.96 -0.21 -1.94 118.68 119.11 2zzi s LEU 26 Ca 0.19 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.44 2zzi s LEU 26 Cb 0.06 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 2zzi s LEU 26 CO 0.00 -0.09 0.30 -0.63 -1.32 0.00 0.00 176.35 174.62 2zzi s ILE 27 N 1.51 5.23 -0.81 6.68 1.01 0.38 0.01 121.20 135.22 2zzi s ILE 27 Ca 0.04 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.97 2zzi s ILE 27 Cb -0.13 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2zzi s ILE 27 CO -0.10 0.14 0.74 0.47 0.00 0.00 0.00 174.94 176.19 2zzi n ASP 28 N 5.23 -7.37 -4.57 3.58 8.00 0.28 -1.88 116.55 119.82 2zzi n ASP 28 Ca -0.11 -0.26 -0.28 0.00 0.71 0.00 0.00 54.79 54.85 2zzi n ASP 28 Cb 0.51 -5.05 -0.05 0.00 -0.02 0.00 0.00 41.12 36.50 2zzi n ASP 28 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2zzi s PRO 29 N -3.44 2.60 0.14 -0.24 0.04 -1.15 -3.99 135.00 128.95 2zzi s PRO 29 Ca 0.10 -0.83 -0.14 0.00 0.04 0.00 0.00 61.00 60.17 2zzi s PRO 29 Cb -0.02 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2zzi s PRO 29 CO 0.76 -3.63 1.61 0.78 0.04 0.00 0.00 177.00 176.56 2zzi h GLY 30 N 17.50 0.82 -0.78 0.56 0.00 -1.77 -0.31 103.07 119.09 2zzi h GLY 30 Ca 0.17 -0.57 0.11 0.00 0.00 0.00 0.00 47.33 47.04 2zzi h GLY 30 CO 1.23 0.53 0.34 1.34 0.00 0.00 0.00 176.54 179.98 2zzi n ASP 31 N -4.44 -0.82 -3.32 0.19 -0.08 -1.26 -0.52 116.55 106.30 2zzi n ASP 31 Ca 0.00 -1.38 -0.16 0.00 -1.51 0.00 0.00 54.79 51.74 2zzi n ASP 31 Cb 0.27 1.32 0.01 0.00 2.34 0.00 0.00 41.12 45.06 2zzi n ASP 31 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2zzi n GLU 32 N -0.40 -1.70 0.34 -0.67 1.02 -1.26 -4.57 120.64 113.40 2zzi n GLU 32 Ca -0.00 1.38 -0.18 0.00 -0.02 0.00 0.00 57.16 58.34 2zzi n GLU 32 Cb 0.30 -4.05 -0.10 0.00 -0.02 0.00 0.00 31.44 27.57 2zzi n GLU 32 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2zzi h PRO 33 N 0.82 -1.01 -0.91 3.49 0.13 -1.93 -2.46 132.00 130.13 2zzi h PRO 33 Ca -0.29 0.07 0.13 0.00 -0.87 0.00 0.00 66.00 65.03 2zzi h PRO 33 Cb 1.19 0.23 -0.14 0.00 0.13 0.00 0.00 31.00 32.41 2zzi h PRO 33 CO 0.29 -0.67 -0.44 0.93 -0.23 0.00 0.00 178.00 177.88 2zzi h GLU 34 N -1.05 -0.04 -0.98 0.86 3.07 -1.96 5.48 114.58 119.97 2zzi h GLU 34 Ca -0.07 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.06 2zzi h GLU 34 Cb 0.88 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.74 2zzi h GLU 34 CO 0.00 -0.03 0.68 -0.22 -1.40 0.00 0.00 179.01 178.05 2zzi h LYS 35 N -0.04 0.16 0.00 2.33 3.64 -1.90 2.13 116.57 122.89 2zzi h LYS 35 Ca 0.27 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 2zzi h LYS 35 Cb 0.55 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2zzi h LYS 35 CO -0.92 0.11 -0.45 -0.07 -2.27 0.00 0.00 179.45 175.85 2zzi h LEU 36 N 0.16 0.00 -0.53 5.20 3.38 1.03 -2.18 115.31 122.37 2zzi h LEU 36 Ca 0.50 -0.63 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2zzi h LEU 36 Cb 1.67 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.35 2zzi h LEU 36 CO -0.10 1.07 0.15 -0.07 0.09 0.00 0.00 178.44 179.58 2zzi h LEU 37 N -1.00 0.10 -1.18 1.67 3.38 0.50 -1.62 115.31 117.16 2zzi h LEU 37 Ca -0.11 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2zzi h LEU 37 Cb 0.93 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2zzi h LEU 37 CO -0.07 0.08 -0.35 0.00 0.09 0.00 0.00 178.44 178.19 2zzi h ALA 38 N 1.39 1.16 -0.26 1.53 0.00 0.33 -1.94 119.26 121.46 2zzi h ALA 38 Ca 0.26 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2zzi h ALA 38 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2zzi h ALA 38 CO -0.30 0.44 -0.07 1.25 0.00 0.00 0.00 179.25 180.56 2zzi h LEU 39 N 0.00 0.40 -0.13 0.00 5.85 -0.67 -2.73 115.31 118.03 2zzi h LEU 39 Ca -0.00 -0.08 -0.24 0.00 0.84 0.00 0.00 57.88 58.40 2zzi h LEU 39 Cb 0.75 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.69 2zzi h LEU 39 CO 0.05 0.52 -0.92 -0.26 -0.34 0.00 0.00 178.44 177.49 2zzi h PHE 40 N 0.40 0.90 -1.00 1.25 0.04 -0.61 -1.14 116.94 116.79 2zzi h PHE 40 Ca 0.08 -0.46 0.25 0.00 2.80 0.00 0.00 57.97 60.64 2zzi h PHE 40 Cb 0.38 -0.12 -0.19 0.00 2.20 0.00 0.00 35.95 38.23 2zzi h PHE 40 CO 0.01 1.28 -0.07 1.96 -0.60 0.00 0.00 178.31 180.89 2zzi h GLN 41 N 0.39 0.00 0.00 1.51 1.08 -1.07 -0.18 115.11 116.84 2zzi h GLN 41 Ca -0.09 -0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.92 2zzi h GLN 41 Cb 1.55 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.95 2zzi h GLN 41 CO 0.18 0.00 -1.09 1.79 -0.95 0.00 0.00 178.83 178.76 2zzi h THR 42 N 0.00 0.85 -0.95 -0.54 1.35 -1.54 -3.37 112.91 108.71 2zzi h THR 42 Ca 0.56 -2.04 0.30 0.00 -0.55 0.00 0.00 66.41 64.68 2zzi h THR 42 Cb 1.07 2.01 -0.16 0.00 -1.73 0.00 0.00 68.15 69.33 2zzi h THR 42 CO -0.97 0.29 0.29 0.71 -0.25 0.00 0.00 175.52 175.59 2zzi h THR 43 N -1.00 0.16 0.00 6.82 1.35 -0.89 -3.44 112.91 115.91 2zzi h THR 43 Ca -0.29 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2zzi h THR 43 Cb 1.18 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 2zzi h THR 43 CO -0.17 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.73 2zzi n GLY 44 N -1.37 2.26 3.63 5.82 0.00 -0.10 -4.97 105.19 110.45 2zzi n GLY 44 Ca 0.27 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2zzi n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2zzi s LEU 45 N 0.00 3.87 -0.02 0.99 1.43 -1.26 -5.02 118.68 118.66 2zzi s LEU 45 Ca 0.00 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 54.45 2zzi s LEU 45 Cb 0.00 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 2zzi s LEU 45 CO 0.00 -1.23 0.31 0.27 0.23 0.00 0.00 176.35 175.94 2zzi s ILE 46 N 5.01 5.21 0.00 -0.59 -5.25 -1.26 -4.75 121.20 119.58 2zzi s ILE 46 Ca 0.67 0.50 -0.30 0.00 -0.99 0.00 0.00 60.65 60.52 2zzi s ILE 46 Cb -0.22 -3.59 -0.04 0.00 2.95 0.00 0.00 42.46 41.55 2zzi s ILE 46 CO 0.28 0.51 1.20 -2.16 -1.79 0.00 0.00 174.94 172.97 2zzi s PRO 47 N -1.31 4.40 0.30 0.37 0.04 -1.26 -4.54 135.00 133.00 2zzi s PRO 47 Ca 0.24 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.25 2zzi s PRO 47 Cb -0.14 -3.46 0.93 0.00 0.04 0.00 0.00 34.50 31.87 2zzi s PRO 47 CO 0.12 -0.34 1.76 -0.07 0.04 0.00 0.00 177.00 178.51 2zzi h LEU 48 N 7.49 0.00 -7.00 -3.56 3.38 -0.75 -3.46 115.31 111.40 2zzi h LEU 48 Ca -0.38 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.68 2zzi h LEU 48 Cb 1.19 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 2zzi h LEU 48 CO 0.84 0.00 0.55 0.00 0.09 0.00 0.00 178.44 179.92 2zzi s ALA 49 N -3.30 -1.99 -0.30 1.53 0.00 -1.26 -4.50 121.76 111.94 2zzi s ALA 49 Ca 0.06 1.76 -0.17 0.00 0.00 0.00 0.00 51.96 53.61 2zzi s ALA 49 Cb 0.10 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 2zzi s ALA 49 CO 0.50 -0.25 0.48 0.42 0.00 0.00 0.00 175.76 176.92 2zzi s ILE 50 N -0.27 5.07 -0.15 0.00 1.01 -0.92 -1.04 121.20 124.89 2zzi s ILE 50 Ca 0.02 0.58 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 2zzi s ILE 50 Cb -0.03 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2zzi s ILE 50 CO -0.05 -0.03 0.07 -0.76 0.00 0.00 0.00 174.94 174.18 2zzi s LEU 51 N 2.29 3.93 -0.16 2.97 1.02 0.10 -1.03 118.68 127.80 2zzi s LEU 51 Ca 0.19 0.20 -0.00 0.00 0.02 0.00 0.00 54.13 54.53 2zzi s LEU 51 Cb -0.16 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.09 2zzi s LEU 51 CO 0.11 0.27 -0.15 -0.76 0.02 0.00 0.00 176.35 175.85 2zzi s LEU 52 N -0.23 2.48 0.16 1.79 1.43 -0.68 -0.56 118.68 123.06 2zzi s LEU 52 Ca 0.08 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2zzi s LEU 52 Cb -0.12 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.53 2zzi s LEU 52 CO 0.01 0.07 1.41 0.71 0.23 0.00 0.00 176.35 178.78 2zzi h THR 53 N 5.70 1.34 -3.20 5.49 1.35 -1.88 -3.42 112.91 118.28 2zzi h THR 53 Ca -0.35 -2.02 -0.02 0.00 -0.55 0.00 0.00 66.41 63.47 2zzi h THR 53 Cb 1.18 2.00 -0.04 0.00 -1.73 0.00 0.00 68.15 69.57 2zzi h THR 53 CO 0.58 0.62 0.16 -1.38 -0.25 0.00 0.00 175.52 175.25 2zzi s HIS 54 N -3.73 0.14 -0.30 4.73 0.00 -1.26 -0.60 115.29 114.27 2zzi s HIS 54 Ca -0.07 -0.65 0.11 0.00 -3.00 0.00 0.00 55.06 51.44 2zzi s HIS 54 Cb 0.10 0.62 0.69 0.00 -4.00 0.00 0.00 32.58 29.99 2zzi s HIS 54 CO 0.86 -1.33 1.71 0.00 -1.00 0.00 0.00 174.74 174.98 2zzi n ALA 55 N -0.49 4.29 -1.77 -1.38 0.00 -1.26 -4.82 120.51 115.08 2zzi n ALA 55 Ca -0.05 -2.42 -0.41 0.00 0.00 0.00 0.00 53.44 50.56 2zzi n ALA 55 Cb 0.60 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2zzi n ALA 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2zzi s HIS 56 N -3.00 3.22 0.36 0.00 3.76 -1.26 -3.90 115.29 114.48 2zzi s HIS 56 Ca 0.52 1.51 0.12 0.00 -0.15 0.00 0.00 55.06 57.06 2zzi s HIS 56 Cb 0.42 -3.55 0.92 0.00 1.11 0.00 0.00 32.58 31.48 2zzi s HIS 56 CO 0.11 -1.44 1.79 0.27 -0.85 0.00 0.00 174.74 174.63 2zzi h PHE 57 N 3.54 0.84 0.00 1.40 -0.00 -1.93 0.11 116.94 120.90 2zzi h PHE 57 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 2zzi h PHE 57 Cb 1.22 -0.25 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 2zzi h PHE 57 CO 0.57 0.17 0.00 -0.40 -0.00 0.00 0.00 178.31 178.65 2zzi n ASP 58 N -4.67 0.00 0.00 -0.68 5.75 -1.26 -2.52 116.55 113.17 2zzi n ASP 58 Ca 0.23 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 2zzi n ASP 58 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 2zzi n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2zzi n HIS 59 N -0.85 0.00 -0.70 2.11 8.25 0.39 -4.45 115.22 119.96 2zzi n HIS 59 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2zzi n HIS 59 Cb 0.04 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.16 2zzi n HIS 59 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2zzi n VAL 60 N -0.80 0.43 0.51 1.59 0.24 -1.05 -2.92 118.33 116.34 2zzi n VAL 60 Ca 0.00 -0.44 0.11 0.00 -2.04 0.00 0.00 64.34 61.97 2zzi n VAL 60 Cb 0.00 0.74 0.45 0.00 -1.47 0.00 0.00 33.84 33.57 2zzi n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2zzi n GLY 61 N -0.23 -1.33 0.00 7.63 0.00 0.32 -2.80 105.19 108.77 2zzi n GLY 61 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.11 2zzi n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zzi n ALA 62 N -1.70 3.31 -0.13 4.61 0.00 -0.13 -4.21 120.51 122.25 2zzi n ALA 62 Ca 0.03 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 2zzi n ALA 62 Cb 0.27 -0.45 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 2zzi n ALA 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2zzi h VAL 63 N 0.00 0.25 -0.27 0.00 2.07 -1.54 -1.59 116.25 115.17 2zzi h VAL 63 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2zzi h VAL 63 Cb 0.38 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2zzi h VAL 63 CO 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.30 2zzi h ALA 64 N 0.88 -0.50 -0.13 1.67 0.00 -1.82 0.17 119.26 119.53 2zzi h ALA 64 Ca 0.19 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2zzi h ALA 64 Cb 0.52 0.98 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 2zzi h ALA 64 CO -0.55 -0.66 -0.53 -1.35 0.00 0.00 0.00 179.25 176.16 2zzi h PRO 65 N -0.17 -0.55 -0.87 0.00 0.11 -1.78 -0.51 132.00 128.23 2zzi h PRO 65 Ca 0.05 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.38 2zzi h PRO 65 Cb 0.29 0.13 -0.11 0.00 0.11 0.00 0.00 31.00 31.42 2zzi h PRO 65 CO -0.34 -0.37 0.41 -0.07 -0.21 0.00 0.00 178.00 177.42 2zzi h LEU 66 N -0.57 0.42 -0.31 2.35 3.38 -0.93 -1.47 115.31 118.18 2zzi h LEU 66 Ca 0.03 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2zzi h LEU 66 Cb 0.67 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2zzi h LEU 66 CO -0.43 0.10 -0.03 0.58 0.09 0.00 0.00 178.44 178.75 2zzi h VAL 67 N 0.50 1.27 0.00 1.22 2.07 0.19 -1.05 116.25 120.45 2zzi h VAL 67 Ca 0.51 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2zzi h VAL 67 Cb 0.87 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2zzi h VAL 67 CO -0.45 0.33 0.00 1.21 0.02 0.00 0.00 177.57 178.68 2zzi n GLU 68 N -4.52 0.70 -0.00 1.57 2.13 -0.28 0.20 120.64 120.44 2zzi n GLU 68 Ca -0.03 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.79 2zzi n GLU 68 Cb 0.29 -1.27 -0.00 0.00 0.27 0.00 0.00 31.44 30.72 2zzi n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2zzi n ALA 69 N -0.77 2.00 -0.78 4.31 0.00 -0.86 -4.81 120.51 119.59 2zzi n ALA 69 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2zzi n ALA 69 Cb 0.04 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2zzi n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2zzi n LEU 70 N -1.80 0.43 -2.41 0.00 4.32 -0.43 -5.02 117.00 112.09 2zzi n LEU 70 Ca -0.01 -0.43 -0.09 0.00 -0.02 0.00 0.00 56.01 55.47 2zzi n LEU 70 Cb 0.29 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 2zzi n LEU 70 CO 0.01 0.11 -0.12 0.47 -1.22 0.00 0.00 177.39 176.64 2zzi n ASP 71 N -0.10 -3.12 -4.77 -1.43 10.43 0.13 -4.91 116.55 112.78 2zzi n ASP 71 Ca 0.00 0.27 -0.40 0.00 2.57 0.00 0.00 54.79 57.23 2zzi n ASP 71 Cb 0.43 -2.70 -0.01 0.00 1.84 0.00 0.00 41.12 40.68 2zzi n ASP 71 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2zzi s LEU 72 N -5.36 4.33 0.57 0.64 1.43 -1.26 -5.01 118.68 114.02 2zzi s LEU 72 Ca 0.00 2.72 -0.17 0.00 -1.03 0.00 0.00 54.13 55.65 2zzi s LEU 72 Cb 0.00 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 2zzi s LEU 72 CO 0.00 -0.69 1.07 -2.16 0.23 0.00 0.00 176.35 174.79 2zzi s PRO 73 N -2.00 3.38 -0.25 1.29 0.04 -1.26 -4.84 135.00 131.37 2zzi s PRO 73 Ca 0.52 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 2zzi s PRO 73 Cb -0.40 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.14 2zzi s PRO 73 CO 0.53 -0.77 -0.09 0.08 0.04 0.00 0.00 177.00 176.78 2zzi s VAL 74 N -2.22 2.57 -0.14 -0.36 1.01 -1.26 -2.18 120.40 117.83 2zzi s VAL 74 Ca 0.66 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 2zzi s VAL 74 Cb -0.18 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2zzi s VAL 74 CO 0.32 0.16 0.62 -0.31 0.00 0.00 0.00 175.10 175.88 2zzi s TYR 75 N 1.25 3.46 -0.12 5.22 2.02 -0.20 -0.02 117.35 128.96 2zzi s TYR 75 Ca -0.02 1.01 -0.14 0.00 -0.37 0.00 0.00 57.07 57.55 2zzi s TYR 75 Cb -0.17 -2.75 0.04 0.00 -0.40 0.00 0.00 41.96 38.68 2zzi s TYR 75 CO -0.06 -0.02 0.37 -1.17 -1.57 0.00 0.00 175.55 173.10 2zzi s LEU 76 N 1.31 0.58 0.01 -1.29 2.96 -0.57 -1.69 118.68 119.98 2zzi s LEU 76 Ca 0.31 0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 2zzi s LEU 76 Cb -0.16 1.31 -0.06 0.00 0.50 0.00 0.00 46.19 47.78 2zzi s LEU 76 CO 0.12 -0.19 1.54 -2.28 -1.32 0.00 0.00 176.35 174.23 2zzi s HIS 77 N -0.07 2.49 0.45 5.38 5.65 -1.26 -1.66 115.29 126.27 2zzi s HIS 77 Ca -0.02 0.50 0.26 0.00 0.25 0.00 0.00 55.06 56.05 2zzi s HIS 77 Cb -0.03 -3.82 1.29 0.00 -1.18 0.00 0.00 32.58 28.84 2zzi s HIS 77 CO 0.01 -3.26 1.77 -1.00 -0.65 0.00 0.00 174.74 171.62 2zzi h PRO 78 N 8.43 0.22 0.00 2.88 0.13 -1.90 0.00 132.00 141.76 2zzi h PRO 78 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2zzi h PRO 78 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2zzi h PRO 78 CO 0.93 0.15 0.00 1.28 -0.23 0.00 0.00 178.00 180.12 2zzi n LEU 79 N -4.48 0.39 -0.54 1.56 4.77 -1.26 -1.57 117.00 115.88 2zzi n LEU 79 Ca 0.26 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.99 2zzi n LEU 79 Cb 1.06 -0.67 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2zzi n LEU 79 CO 0.30 -0.69 0.38 0.47 -1.33 0.00 0.00 177.39 176.52 2zzi n ASP 80 N -1.99 2.05 -0.18 -1.43 9.92 -0.01 -4.01 116.55 120.90 2zzi n ASP 80 Ca 0.00 -1.53 -0.09 0.00 -0.53 0.00 0.00 54.79 52.65 2zzi n ASP 80 Cb 0.08 0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 2zzi n ASP 80 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2zzi h LEU 81 N 2.63 -1.44 -0.59 0.64 -0.00 -1.38 0.45 115.31 115.63 2zzi h LEU 81 Ca 0.00 0.23 0.12 0.00 -0.00 0.00 0.00 57.88 58.23 2zzi h LEU 81 Cb 0.67 0.65 -0.11 0.00 -0.00 0.00 0.00 40.66 41.87 2zzi h LEU 81 CO 0.00 -0.34 -0.16 -0.65 -0.00 0.00 0.00 178.44 177.29 2zzi h PRO 82 N -0.25 -0.01 0.55 1.13 0.11 -1.82 0.57 132.00 132.28 2zzi h PRO 82 Ca 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 2zzi h PRO 82 Cb 0.57 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.69 2zzi h PRO 82 CO -0.65 -0.01 -0.26 -0.07 -0.21 0.00 0.00 178.00 176.80 2zzi h LEU 83 N -0.01 -0.62 -0.80 2.35 3.38 -1.64 -2.28 115.31 115.68 2zzi h LEU 83 Ca 0.28 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.45 2zzi h LEU 83 Cb 0.44 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.22 2zzi h LEU 83 CO -0.61 -0.43 0.07 0.22 0.09 0.00 0.00 178.44 177.78 2zzi h TYR 84 N -0.76 0.07 0.00 1.13 3.20 0.13 0.23 116.97 120.97 2zzi h TYR 84 Ca -0.08 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2zzi h TYR 84 Cb 0.58 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2zzi h TYR 84 CO -0.03 -0.23 -0.23 0.93 -1.64 0.00 0.00 178.16 176.96 2zzi h GLU 85 N 0.14 0.00 -0.38 1.82 5.08 0.21 -3.00 114.58 118.45 2zzi h GLU 85 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2zzi h GLU 85 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2zzi h GLU 85 CO -0.67 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 177.98 2zzi n GLY 86 N 0.10 1.77 0.36 -3.84 0.00 0.54 -4.67 105.19 99.45 2zzi n GLY 86 Ca -0.00 -0.64 0.19 0.00 0.00 0.00 0.00 46.02 45.57 2zzi n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zzi h ALA 87 N 3.76 2.35 -0.13 4.61 0.00 -0.61 -2.36 119.26 126.89 2zzi h ALA 87 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2zzi h ALA 87 Cb 0.88 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2zzi h ALA 87 CO 0.00 -0.55 -0.64 0.38 0.00 0.00 0.00 179.25 178.45 2zzi h ASP 88 N 0.00 0.56 -0.14 0.00 2.03 -1.84 -1.40 116.42 115.63 2zzi h ASP 88 Ca 0.20 -0.33 -0.13 0.00 -0.73 0.00 0.00 57.03 56.05 2zzi h ASP 88 Cb 0.85 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2zzi h ASP 88 CO -0.00 1.05 -0.40 0.25 -1.03 0.00 0.00 179.24 179.11 2zzi h LEU 89 N 0.35 0.60 -0.85 0.15 5.85 -1.80 -2.89 115.31 116.73 2zzi h LEU 89 Ca -0.01 -0.59 0.20 0.00 0.84 0.00 0.00 57.88 58.32 2zzi h LEU 89 Cb 1.19 -0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.93 2zzi h LEU 89 CO 0.11 1.08 0.31 0.00 -0.34 0.00 0.00 178.44 179.61 2zzi h ALA 90 N 0.53 1.27 -1.01 1.25 0.00 -1.41 0.23 119.26 120.12 2zzi h ALA 90 Ca -0.01 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2zzi h ALA 90 Cb 1.02 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2zzi h ALA 90 CO 0.09 -0.35 0.65 0.00 0.00 0.00 0.00 179.25 179.63 2zzi h ALA 91 N 1.69 1.41 0.00 0.00 0.00 -1.06 -1.06 119.26 120.24 2zzi h ALA 91 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2zzi h ALA 91 Cb 0.95 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2zzi h ALA 91 CO -0.54 0.43 0.00 0.54 0.00 0.00 0.00 179.25 179.68 2zzi n ARG 92 N -4.51 0.14 0.19 0.00 1.74 0.78 -1.35 116.66 113.66 2zzi n ARG 92 Ca 0.16 0.33 0.14 0.00 -0.77 0.00 0.00 57.85 57.71 2zzi n ARG 92 Cb 0.20 -1.75 0.48 0.00 -1.02 0.00 0.00 32.46 30.37 2zzi n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2zzi h ALA 93 N 2.39 1.00 -0.63 7.54 0.00 -0.82 -2.38 119.26 126.36 2zzi h ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2zzi h ALA 93 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2zzi h ALA 93 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.16 2zzi n TRP 94 N -2.68 0.86 -1.12 0.00 7.02 -0.45 -4.93 117.44 116.14 2zzi n TRP 94 Ca 0.03 -0.50 -0.04 0.00 -1.02 0.00 0.00 57.50 55.96 2zzi n TRP 94 Cb 0.34 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.20 2zzi n TRP 94 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2zzi n GLY 95 N 1.34 0.63 0.00 6.99 0.00 -0.90 -5.00 105.19 108.25 2zzi n GLY 95 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2zzi n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zzi n LEU 96 N -0.48 0.00 -3.64 0.99 4.77 -0.76 -4.97 117.00 112.91 2zzi n LEU 96 Ca -0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2zzi n LEU 96 Cb 0.28 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2zzi n LEU 96 CO 0.06 -0.41 0.52 0.00 -1.33 0.00 0.00 177.39 176.24 2zzi s ALA 97 N -2.00 -1.97 0.09 -1.18 0.00 -1.26 -3.58 121.76 111.86 2zzi s ALA 97 Ca 0.00 2.18 0.05 0.00 0.00 0.00 0.00 51.96 54.19 2zzi s ALA 97 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2zzi s ALA 97 CO 0.00 -0.33 -0.14 0.96 0.00 0.00 0.00 175.76 176.25 2zzi s ILE 98 N 1.00 1.17 -0.15 0.00 -0.00 -1.26 -5.07 121.20 116.88 2zzi s ILE 98 Ca -0.05 -1.48 -0.29 0.00 -0.00 0.00 0.00 60.65 58.83 2zzi s ILE 98 Cb -0.05 -1.26 -0.04 0.00 -0.00 0.00 0.00 42.46 41.12 2zzi s ILE 98 CO -0.11 -0.33 1.59 -2.16 -0.00 0.00 0.00 174.94 173.93 2zzi s PRO 99 N -2.17 3.98 -0.27 0.37 0.04 -1.26 -4.82 135.00 130.87 2zzi s PRO 99 Ca 0.03 1.86 -0.42 0.00 0.04 0.00 0.00 61.00 62.50 2zzi s PRO 99 Cb -0.07 -3.99 -0.19 0.00 0.04 0.00 0.00 34.50 30.29 2zzi s PRO 99 CO 0.02 -1.07 1.31 1.17 0.04 0.00 0.00 177.00 178.47 2zzi n LYS 100 N 7.35 0.00 -1.76 4.56 4.81 -1.26 -4.62 118.16 127.24 2zzi n LYS 100 Ca 0.18 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.22 2zzi n LYS 100 Cb 0.44 -1.43 0.03 0.00 0.02 0.00 0.00 35.03 34.09 2zzi n LYS 100 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2zzi n PRO 101 N 2.79 2.10 -2.87 1.64 -0.02 -1.26 -4.72 135.00 132.65 2zzi n PRO 101 Ca 0.25 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 62.18 2zzi n PRO 101 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.84 2zzi n PRO 101 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2zzi s PRO 102 N -2.56 3.78 0.23 0.52 0.04 -1.26 -4.94 135.00 130.81 2zzi s PRO 102 Ca 0.64 0.45 0.09 0.00 0.04 0.00 0.00 61.00 62.22 2zzi s PRO 102 Cb -0.44 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2zzi s PRO 102 CO 0.55 -0.03 -0.01 -0.51 0.04 0.00 0.00 177.00 177.04 2zzi s LEU 103 N -3.83 3.19 0.00 -3.56 1.43 -1.26 -4.73 118.68 109.92 2zzi s LEU 103 Ca 0.51 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2zzi s LEU 103 Cb -0.10 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2zzi s LEU 103 CO 0.31 0.03 0.04 -0.81 0.23 0.00 0.00 176.35 176.15 2zzi n PRO 104 N -0.60 0.52 -4.01 1.29 -0.04 -1.26 -5.18 135.00 125.72 2zzi n PRO 104 Ca -0.08 -0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 2zzi n PRO 104 Cb 0.58 -0.03 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 2zzi n PRO 104 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2zzi s VAL 105 N -0.03 0.15 -0.15 0.52 -7.23 -1.26 -4.64 120.40 107.76 2zzi s VAL 105 Ca 0.03 -1.24 -0.15 0.00 -1.81 0.00 0.00 61.98 58.80 2zzi s VAL 105 Cb -0.00 -0.77 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 2zzi s VAL 105 CO 0.02 -0.69 0.34 -0.13 -0.31 0.00 0.00 175.10 174.33 2zzi s ARG 106 N -2.44 4.27 0.22 4.82 0.52 0.97 -4.93 118.95 122.38 2zzi s ARG 106 Ca -0.07 0.18 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 2zzi s ARG 106 Cb -0.03 -3.43 -0.09 0.00 0.52 0.00 0.00 34.95 31.93 2zzi s ARG 106 CO -0.04 0.22 1.30 -1.25 0.02 0.00 0.00 175.30 175.54 2zzi s PRO 107 N 0.49 4.40 0.44 3.54 0.04 -1.26 -1.52 135.00 141.13 2zzi s PRO 107 Ca 0.19 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2zzi s PRO 107 Cb -0.13 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2zzi s PRO 107 CO 0.05 -0.22 0.66 -0.51 0.04 0.00 0.00 177.00 177.03 2zzi s LEU 108 N -0.42 3.69 -0.28 -3.56 1.43 -0.66 -4.82 118.68 114.06 2zzi s LEU 108 Ca 0.55 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 2zzi s LEU 108 Cb -0.37 -3.21 0.09 0.00 0.03 0.00 0.00 46.19 42.73 2zzi s LEU 108 CO 0.40 -0.65 0.81 -0.70 0.23 0.00 0.00 176.35 176.44 2zzi s GLU 109 N -4.54 0.67 0.16 1.70 2.12 -1.26 -4.45 118.70 113.10 2zzi s GLU 109 Ca 0.47 0.93 -0.33 0.00 0.36 0.00 0.00 54.97 56.40 2zzi s GLU 109 Cb -0.10 0.26 -0.16 0.00 0.26 0.00 0.00 34.13 34.39 2zzi s GLU 109 CO 0.38 -0.10 1.16 -1.91 -0.54 0.00 0.00 175.26 174.25 2zzi n GLU 110 N 3.16 1.08 0.00 4.30 4.07 -1.26 -0.78 120.64 131.21 2zzi n GLU 110 Ca -0.16 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2zzi n GLU 110 Cb 0.57 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 2zzi n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2zzi n GLY 111 N 2.04 2.74 3.74 8.31 0.00 -0.28 -5.00 105.19 116.74 2zzi n GLY 111 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2zzi n GLY 111 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2zzi s MET 112 N -0.17 4.17 -0.18 1.61 -2.45 0.04 -4.73 119.30 117.59 2zzi s MET 112 Ca 0.00 2.48 -0.06 0.00 -1.25 0.00 0.00 55.69 56.85 2zzi s MET 112 Cb 0.00 -3.06 -0.04 0.00 1.25 0.00 0.00 34.83 32.98 2zzi s MET 112 CO 0.00 -0.57 0.04 1.03 1.05 0.00 0.00 175.02 176.56 2zzi s ARG 113 N -0.21 3.89 -0.18 4.11 3.00 -1.26 -0.89 118.95 127.41 2zzi s ARG 113 Ca 0.63 -0.39 -0.19 0.00 0.00 0.00 0.00 55.73 55.78 2zzi s ARG 113 Cb -0.46 -3.14 0.05 0.00 0.00 0.00 0.00 34.95 31.40 2zzi s ARG 113 CO 0.44 0.25 0.52 -0.48 0.00 0.00 0.00 175.30 176.03 2zzi s LEU 114 N 0.41 0.00 -1.61 2.53 2.34 -0.88 -4.94 118.68 116.53 2zzi s LEU 114 Ca 0.01 0.97 -0.15 0.00 0.06 0.00 0.00 54.13 55.03 2zzi s LEU 114 Cb -0.13 1.82 0.11 0.00 -0.56 0.00 0.00 46.19 47.44 2zzi s LEU 114 CO 0.01 -0.23 0.83 0.49 -1.06 0.00 0.00 176.35 176.39 2zzi n PHE 115 N 2.57 -1.95 0.00 3.48 3.72 -1.26 -0.32 117.46 123.70 2zzi n PHE 115 Ca -0.14 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 2zzi n PHE 115 Cb 0.56 -3.43 0.00 0.00 -0.94 0.00 0.00 39.48 35.67 2zzi n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2zzi n GLY 116 N -1.56 2.81 3.80 1.37 0.00 -1.26 -4.74 105.19 105.60 2zzi n GLY 116 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2zzi n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2zzi s PHE 117 N -0.70 2.88 -0.26 1.61 0.08 0.57 -4.74 117.98 117.41 2zzi s PHE 117 Ca 0.00 1.49 0.01 0.00 0.12 0.00 0.00 56.93 58.55 2zzi s PHE 117 Cb 0.00 -2.97 0.07 0.00 -0.57 0.00 0.00 43.02 39.55 2zzi s PHE 117 CO 0.00 -1.44 -0.02 -1.14 -0.10 0.00 0.00 175.22 172.52 2zzi s GLN 118 N -4.81 1.54 -0.20 0.44 0.74 -0.41 -2.06 119.66 114.89 2zzi s GLN 118 Ca 0.60 -1.18 -0.29 0.00 0.05 0.00 0.00 55.36 54.54 2zzi s GLN 118 Cb -0.16 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.29 2zzi s GLN 118 CO 0.52 -0.70 1.41 0.08 -0.55 0.00 0.00 175.29 176.05 2zzi s VAL 119 N 1.31 4.02 -0.19 1.34 1.01 -0.07 -2.68 120.40 125.14 2zzi s VAL 119 Ca -0.01 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.09 2zzi s VAL 119 Cb -0.19 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2zzi s VAL 119 CO -0.09 -0.27 0.04 -0.76 0.00 0.00 0.00 175.10 174.03 2zzi s LEU 120 N 4.23 3.63 -0.29 3.92 1.02 -0.53 -1.13 118.68 129.53 2zzi s LEU 120 Ca 0.61 -0.01 -0.25 0.00 0.02 0.00 0.00 54.13 54.51 2zzi s LEU 120 Cb -0.22 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.07 2zzi s LEU 120 CO 0.22 0.14 0.84 -2.28 0.02 0.00 0.00 176.35 175.30 2zzi s HIS 121 N 0.54 3.23 -0.47 0.29 2.46 -1.26 -0.06 115.29 120.03 2zzi s HIS 121 Ca 0.02 0.97 0.06 0.00 0.47 0.00 0.00 55.06 56.57 2zzi s HIS 121 Cb -0.13 -3.23 0.20 0.00 -0.13 0.00 0.00 32.58 29.29 2zzi s HIS 121 CO 0.01 -0.54 0.46 1.28 -2.47 0.00 0.00 174.74 173.49 2zzi n LEU 122 N 6.23 0.63 -4.66 8.88 4.77 0.14 -4.97 117.00 128.02 2zzi n LEU 122 Ca 0.05 -4.70 -0.29 0.00 -0.03 0.00 0.00 56.01 51.05 2zzi n LEU 122 Cb 0.48 0.28 0.20 0.00 -2.33 0.00 0.00 43.42 42.05 2zzi n LEU 122 CO 0.50 1.93 0.65 -2.84 -1.33 0.00 0.00 177.39 176.30 2zzi s PRO 123 N -0.80 -0.24 0.00 3.23 0.02 -1.23 -4.55 135.00 131.43 2zzi s PRO 123 Ca 0.33 0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.57 2zzi s PRO 123 Cb 0.08 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.92 2zzi s PRO 123 CO -0.15 -3.11 0.00 0.41 -0.33 0.00 0.00 177.00 173.82 2zzi n GLY 124 N -1.20 3.16 0.19 0.52 0.00 -1.26 -3.40 105.19 103.20 2zzi n GLY 124 Ca 0.09 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 2zzi n GLY 124 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2zzi h HIS 125 N 0.00 0.62 -3.24 1.61 -0.00 -1.83 0.28 115.15 112.59 2zzi h HIS 125 Ca 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.11 2zzi h HIS 125 Cb 0.00 -0.11 -0.10 0.00 -0.00 0.00 0.00 27.41 27.20 2zzi h HIS 125 CO 0.00 0.98 0.07 -1.54 -0.00 0.00 0.00 177.93 177.44 2zzi s SER 126 N -6.95 -0.30 0.41 3.26 1.04 -1.26 -4.17 113.70 105.72 2zzi s SER 126 Ca -0.06 -0.42 0.11 0.00 0.48 0.00 0.00 55.95 56.06 2zzi s SER 126 Cb 0.11 0.59 0.86 0.00 0.10 0.00 0.00 66.02 67.68 2zzi s SER 126 CO 0.84 -1.06 1.94 -0.65 0.98 0.00 0.00 173.24 175.28 2zzi h PRO 127 N 2.16 0.14 -0.29 4.02 0.11 -1.82 -3.03 132.00 133.28 2zzi h PRO 127 Ca -0.29 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.63 2zzi h PRO 127 Cb 1.27 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 2zzi h PRO 127 CO 0.36 0.31 -0.23 0.41 -0.21 0.00 0.00 178.00 178.64 2zzi n GLY 128 N -0.90 5.09 3.71 -0.55 0.00 -1.26 -4.73 105.19 106.55 2zzi n GLY 128 Ca -0.01 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2zzi n GLY 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2zzi s HIS 129 N -3.28 3.53 0.41 1.61 2.46 -1.15 -4.39 115.29 114.47 2zzi s HIS 129 Ca 0.43 1.52 0.05 0.00 0.47 0.00 0.00 55.06 57.53 2zzi s HIS 129 Cb 0.40 -3.25 -0.06 0.00 -0.13 0.00 0.00 32.58 29.54 2zzi s HIS 129 CO -0.02 -0.56 0.03 0.14 -2.47 0.00 0.00 174.74 171.86 2zzi s VAL 130 N 1.22 1.48 0.01 0.89 -7.23 0.23 0.26 120.40 117.27 2zzi s VAL 130 Ca 0.54 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2zzi s VAL 130 Cb -0.24 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 2zzi s VAL 130 CO 0.27 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 174.92 2zzi s ALA 131 N -2.95 1.18 -0.43 1.32 0.00 0.92 -4.64 121.76 117.15 2zzi s ALA 131 Ca 0.29 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 2zzi s ALA 131 Cb 0.07 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.02 2zzi s ALA 131 CO 0.14 0.26 0.31 -0.06 0.00 0.00 0.00 175.76 176.40 2zzi s PHE 132 N -0.59 3.28 -0.19 0.00 0.08 -0.76 -1.45 117.98 118.35 2zzi s PHE 132 Ca 0.04 -1.15 -0.16 0.00 0.12 0.00 0.00 56.93 55.78 2zzi s PHE 132 Cb -0.07 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 2zzi s PHE 132 CO 0.00 -0.78 0.39 -0.47 -0.10 0.00 0.00 175.22 174.26 2zzi s TYR 133 N 1.55 3.39 -0.60 0.36 5.04 -1.09 -0.79 117.35 125.20 2zzi s TYR 133 Ca 0.03 0.63 0.01 0.00 -2.44 0.00 0.00 57.07 55.30 2zzi s TYR 133 Cb -0.23 -2.50 0.15 0.00 0.35 0.00 0.00 41.96 39.73 2zzi s TYR 133 CO 0.05 0.03 0.38 0.34 -1.34 0.00 0.00 175.55 175.02 2zzi s ASP 134 N 0.94 4.82 0.39 4.32 2.15 -0.52 -1.28 116.67 127.48 2zzi s ASP 134 Ca 0.19 -3.07 0.07 0.00 0.43 0.00 0.00 52.55 50.18 2zzi s ASP 134 Cb -0.15 -1.74 0.78 0.00 -0.30 0.00 0.00 42.92 41.52 2zzi s ASP 134 CO 0.08 -0.27 1.97 1.55 -0.17 0.00 0.00 175.17 178.32 2zzi h PRO 135 N 6.58 0.41 0.00 4.34 0.13 -1.85 0.66 132.00 142.27 2zzi h PRO 135 Ca -0.02 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2zzi h PRO 135 Cb 0.90 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 2zzi h PRO 135 CO 0.71 0.40 -0.19 0.93 -0.23 0.00 0.00 178.00 179.62 2zzi h GLU 136 N 0.41 0.00 0.00 0.86 3.07 -1.92 -2.65 114.58 114.35 2zzi h GLU 136 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2zzi h GLU 136 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2zzi h GLU 136 CO -0.00 0.19 -1.03 0.41 -1.40 0.00 0.00 179.01 177.18 2zzi n GLY 137 N -0.25 -1.38 2.28 -3.84 0.00 0.92 -4.97 105.19 97.95 2zzi n GLY 137 Ca -0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2zzi n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zzi n ALA 138 N -2.07 -0.43 -3.77 4.61 0.00 0.19 -4.94 120.51 114.10 2zzi n ALA 138 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 2zzi n ALA 138 Cb 0.51 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 2zzi n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zzi n GLN 139 N -2.39 0.43 -3.64 0.00 10.64 -0.86 -2.00 117.38 119.56 2zzi n GLN 139 Ca -0.17 -2.08 -0.09 0.00 -1.83 0.00 0.00 57.00 52.84 2zzi n GLN 139 Cb 0.63 1.90 -0.07 0.00 -0.86 0.00 0.00 30.24 31.84 2zzi n GLN 139 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2zzi s VAL 140 N -2.77 -0.00 -0.73 -0.39 0.11 -0.17 -1.44 120.40 115.00 2zzi s VAL 140 Ca 0.23 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.13 2zzi s VAL 140 Cb -0.00 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.03 2zzi s VAL 140 CO 0.16 0.00 0.70 -0.36 -3.33 0.00 0.00 175.10 172.27 2zzi s PHE 141 N 1.29 3.52 -0.25 1.54 0.08 0.03 -1.07 117.98 123.12 2zzi s PHE 141 Ca -0.07 -1.68 0.13 0.00 0.12 0.00 0.00 56.93 55.43 2zzi s PHE 141 Cb -0.05 -3.85 0.67 0.00 -0.57 0.00 0.00 43.02 39.22 2zzi s PHE 141 CO -0.14 -1.04 1.63 -1.13 -0.10 0.00 0.00 175.22 174.43 2zzi n SER 142 N 4.65 4.49 0.00 1.36 3.41 -1.11 -1.83 113.62 124.59 2zzi n SER 142 Ca 0.04 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 2zzi n SER 142 Cb 0.45 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2zzi n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2zzi n GLY 143 N -0.20 2.57 0.45 5.00 0.00 -1.25 -1.23 105.19 110.53 2zzi n GLY 143 Ca 0.31 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2zzi n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2zzi n ASP 144 N 1.28 1.33 0.25 1.61 9.92 -1.26 -0.65 116.55 129.04 2zzi n ASP 144 Ca 0.00 -1.78 -0.10 0.00 -0.53 0.00 0.00 54.79 52.38 2zzi n ASP 144 Cb 0.00 -0.12 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 2zzi n ASP 144 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2zzi h LEU 145 N 1.64 -0.55 -8.37 0.64 5.85 -1.56 -2.13 115.31 110.83 2zzi h LEU 145 Ca 0.00 0.02 -0.67 0.00 0.84 0.00 0.00 57.88 58.07 2zzi h LEU 145 Cb 0.37 0.14 -0.32 0.00 0.37 0.00 0.00 40.66 41.22 2zzi h LEU 145 CO 0.00 -0.38 -0.84 -0.22 -0.34 0.00 0.00 178.44 176.65 2zzi s LEU 146 N -6.91 2.27 0.42 2.25 2.96 -1.26 -1.65 118.68 116.76 2zzi s LEU 146 Ca -0.09 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.38 2zzi s LEU 146 Cb 0.01 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2zzi s LEU 146 CO 0.28 0.13 0.23 -0.36 -1.32 0.00 0.00 176.35 175.32 2zzi s PHE 147 N 0.51 2.60 -0.89 5.38 0.08 0.49 -4.57 117.98 121.58 2zzi s PHE 147 Ca -0.13 -0.57 -0.25 0.00 0.12 0.00 0.00 56.93 56.10 2zzi s PHE 147 Cb -0.17 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2zzi s PHE 147 CO 0.05 0.10 1.79 0.50 -0.10 0.00 0.00 175.22 177.56 2zzi s ARG 148 N -3.97 2.83 0.00 0.44 6.06 -1.26 -3.04 118.95 120.01 2zzi s ARG 148 Ca 0.42 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.29 2zzi s ARG 148 Cb 0.02 -5.01 0.00 0.00 0.06 0.00 0.00 34.95 30.03 2zzi s ARG 148 CO 0.24 -2.97 0.00 0.41 -2.50 0.00 0.00 175.30 170.47 2zzi n GLY 149 N 6.65 0.78 3.76 8.12 0.00 -1.26 -5.01 105.19 118.22 2zzi n GLY 149 Ca 0.34 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2zzi n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2zzi s SER 150 N -2.04 0.15 0.16 1.61 0.15 -1.17 -4.41 113.70 108.15 2zzi s SER 150 Ca 0.00 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2zzi s SER 150 Cb 0.00 0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 65.08 2zzi s SER 150 CO 0.00 -1.62 0.03 0.68 1.20 0.00 0.00 173.24 173.53 2zzi s VAL 151 N -2.47 0.40 0.49 4.45 -7.23 -1.26 -0.38 120.40 114.39 2zzi s VAL 151 Ca 0.18 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 2zzi s VAL 151 Cb -0.04 -2.12 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 2zzi s VAL 151 CO 0.13 -0.44 1.23 0.61 -0.31 0.00 0.00 175.10 176.32 2zzi n GLY 152 N -0.19 0.43 3.45 2.32 0.00 -0.66 -4.89 105.19 105.64 2zzi n GLY 152 Ca -0.06 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2zzi n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zzi n ARG 153 N -0.42 0.31 -1.25 1.61 1.74 -1.26 -4.89 116.66 112.49 2zzi n ARG 153 Ca 0.09 0.14 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 2zzi n ARG 153 Cb 0.42 -1.77 0.04 0.00 -1.02 0.00 0.00 32.46 30.13 2zzi n ARG 153 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2zzi n TYR 154 N -2.28 0.00 -0.01 -1.55 4.11 -1.26 -4.38 117.16 111.79 2zzi n TYR 154 Ca 0.10 -0.54 0.00 0.00 -0.00 0.00 0.00 57.90 57.45 2zzi n TYR 154 Cb 0.50 -0.15 0.00 0.00 -0.00 0.00 0.00 39.34 39.69 2zzi n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2zzi n ASP 155 N 0.24 0.02 -4.74 9.48 5.68 -1.26 -4.32 116.55 121.65 2zzi n ASP 155 Ca 0.07 -0.35 -0.37 0.00 -0.50 0.00 0.00 54.79 53.64 2zzi n ASP 155 Cb 1.04 0.63 0.05 0.00 -1.14 0.00 0.00 41.12 41.69 2zzi n ASP 155 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2zzi s LEU 156 N -1.26 3.69 -0.07 -2.12 1.43 -1.26 -4.86 118.68 114.23 2zzi s LEU 156 Ca 0.00 2.58 -0.37 0.00 -1.03 0.00 0.00 54.13 55.31 2zzi s LEU 156 Cb 0.00 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.57 2zzi s LEU 156 CO 0.00 -1.72 1.68 -2.65 0.23 0.00 0.00 176.35 173.88 2zzi n PRO 157 N -1.52 1.63 -0.00 1.29 -0.02 -1.26 -1.03 135.00 134.10 2zzi n PRO 157 Ca 0.13 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2zzi n PRO 157 Cb 0.48 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2zzi n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zzi n GLY 158 N 3.78 0.03 3.89 -1.23 0.00 -1.26 -4.97 105.19 105.44 2zzi n GLY 158 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2zzi n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zzi s ALA 159 N -2.00 3.07 -0.30 4.61 0.00 -0.20 -3.74 121.76 123.21 2zzi s ALA 159 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2zzi s ALA 159 Cb 0.00 -2.89 0.16 0.00 0.00 0.00 0.00 23.12 20.39 2zzi s ALA 159 CO 0.00 -0.91 0.65 0.34 0.00 0.00 0.00 175.76 175.83 2zzi s ASP 160 N -4.30 -1.23 0.10 0.00 2.15 0.99 -4.85 116.67 109.54 2zzi s ASP 160 Ca 0.56 1.21 -0.29 0.00 0.43 0.00 0.00 52.55 54.46 2zzi s ASP 160 Cb -0.11 2.21 -0.11 0.00 -0.30 0.00 0.00 42.92 44.61 2zzi s ASP 160 CO 0.50 -0.23 1.63 -0.65 -0.17 0.00 0.00 175.17 176.25 2zzi h PRO 161 N 7.98 -0.54 -0.82 4.34 0.11 -1.81 0.44 132.00 141.71 2zzi h PRO 161 Ca -0.20 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.08 2zzi h PRO 161 Cb 1.13 0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 2zzi h PRO 161 CO 0.17 -0.36 0.42 0.87 -0.21 0.00 0.00 178.00 178.89 2zzi h LYS 162 N -0.56 0.60 0.34 1.05 6.56 -1.97 0.55 116.57 123.15 2zzi h LYS 162 Ca 0.01 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 2zzi h LYS 162 Cb 0.54 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 2zzi h LYS 162 CO -0.10 0.40 -0.17 0.00 -2.06 0.00 0.00 179.45 177.52 2zzi h ALA 163 N 1.53 -0.46 -0.68 3.86 0.00 -1.73 -1.67 119.26 120.11 2zzi h ALA 163 Ca 0.44 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.36 2zzi h ALA 163 Cb 0.59 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2zzi h ALA 163 CO -0.34 -0.71 0.46 1.25 0.00 0.00 0.00 179.25 179.90 2zzi h LEU 164 N -0.55 0.30 -0.00 0.00 5.85 0.12 -0.27 115.31 120.76 2zzi h LEU 164 Ca -0.05 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2zzi h LEU 164 Cb 0.41 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2zzi h LEU 164 CO 0.08 0.16 -0.11 0.15 -0.34 0.00 0.00 178.44 178.38 2zzi h PHE 165 N 0.32 0.12 -0.91 1.25 3.04 0.43 -0.13 116.94 121.06 2zzi h PHE 165 Ca 0.33 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2zzi h PHE 165 Cb 0.83 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 2zzi h PHE 165 CO -0.00 0.84 0.58 0.00 -2.02 0.00 0.00 178.31 177.71 2zzi h ALA 166 N 0.26 1.31 -0.59 2.41 0.00 -1.07 -1.50 119.26 120.07 2zzi h ALA 166 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2zzi h ALA 166 Cb 0.86 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2zzi h ALA 166 CO 0.02 0.62 0.34 1.03 0.00 0.00 0.00 179.25 181.26 2zzi h SER 167 N 1.25 0.73 -0.18 0.00 0.87 -1.01 -2.12 113.55 113.08 2zzi h SER 167 Ca 0.33 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2zzi h SER 167 Cb -0.11 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2zzi h SER 167 CO -0.07 0.60 0.04 -0.07 -0.53 0.00 0.00 176.83 176.80 2zzi h LEU 168 N 0.80 0.28 -1.14 2.23 3.38 -0.63 -2.74 115.31 117.50 2zzi h LEU 168 Ca 0.21 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2zzi h LEU 168 Cb 0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 2zzi h LEU 168 CO -0.04 0.44 0.60 0.50 0.09 0.00 0.00 178.44 180.04 2zzi h LYS 169 N 0.10 0.83 0.16 1.13 1.63 -1.11 0.22 116.57 119.54 2zzi h LYS 169 Ca 0.06 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2zzi h LYS 169 Cb 0.28 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2zzi h LYS 169 CO 0.00 0.55 -0.30 0.00 -3.45 0.00 0.00 179.45 176.26 2zzi h ARG 170 N 0.86 -0.47 -0.66 1.90 2.47 -1.24 -2.90 114.38 114.33 2zzi h ARG 170 Ca 0.47 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 59.37 2zzi h ARG 170 Cb 0.59 0.11 -0.12 0.00 -1.65 0.00 0.00 29.97 28.90 2zzi h ARG 170 CO -0.24 -0.32 -0.05 1.25 0.56 0.00 0.00 179.97 181.18 2zzi h LEU 171 N -0.49 -0.39 0.00 3.04 5.85 -0.70 -0.67 115.31 121.95 2zzi h LEU 171 Ca -0.02 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2zzi h LEU 171 Cb 0.46 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2zzi h LEU 171 CO -0.11 -0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.01 2zzi n LEU 172 N -5.35 0.00 -0.74 2.25 7.99 0.57 -1.98 117.00 119.75 2zzi n LEU 172 Ca 0.10 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.17 2zzi n LEU 172 Cb 0.38 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 43.85 2zzi n LEU 172 CO 0.07 0.00 0.62 -1.54 -1.51 0.00 0.00 177.39 175.03 2zzi n SER 173 N -0.68 2.91 -1.96 -1.43 3.41 -0.26 -4.95 113.62 110.66 2zzi n SER 173 Ca 0.05 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 2zzi n SER 173 Cb 0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2zzi n SER 173 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2zzi n LEU 174 N 0.77 0.00 -4.63 1.04 4.77 -0.84 -4.97 117.00 113.14 2zzi n LEU 174 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 2zzi n LEU 174 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2zzi n LEU 174 CO 0.10 -0.40 1.71 -2.65 -1.33 0.00 0.00 177.39 174.82 2zzi n PRO 175 N -0.80 2.36 -0.35 3.23 -0.02 -1.26 -4.84 135.00 133.32 2zzi n PRO 175 Ca 0.00 0.78 0.25 0.00 -2.02 0.00 0.00 63.50 62.51 2zzi n PRO 175 Cb 0.00 -3.06 0.51 0.00 -0.02 0.00 0.00 33.50 30.93 2zzi n PRO 175 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2zzi h PRO 176 N 12.51 0.34 0.00 0.52 0.11 -1.92 1.58 132.00 145.15 2zzi h PRO 176 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2zzi h PRO 176 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2zzi h PRO 176 CO 0.95 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 179.36 2zzi n GLU 177 N -4.77 0.71 -1.92 1.05 4.71 -1.26 -0.35 120.64 118.81 2zzi n GLU 177 Ca 0.29 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 57.02 2zzi n GLU 177 Cb 0.98 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.88 2zzi n GLU 177 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2zzi s THR 178 N -2.03 2.79 -0.12 2.62 2.01 0.54 -4.89 115.64 116.57 2zzi s THR 178 Ca 0.34 0.44 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 2zzi s THR 178 Cb 0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2zzi s THR 178 CO 0.27 0.02 1.33 -0.60 -0.69 0.00 0.00 174.62 174.95 2zzi s ARG 179 N 1.86 4.24 -0.11 4.92 3.00 -0.85 -2.50 118.95 129.52 2zzi s ARG 179 Ca 0.72 1.78 -0.19 0.00 -1.00 0.00 0.00 55.73 57.04 2zzi s ARG 179 Cb -0.42 -3.76 -0.04 0.00 0.00 0.00 0.00 34.95 30.73 2zzi s ARG 179 CO 0.32 -0.68 0.53 0.08 0.00 0.00 0.00 175.30 175.54 2zzi s VAL 180 N 3.32 5.15 -0.48 7.11 1.01 0.46 -1.00 120.40 135.97 2zzi s VAL 180 Ca 0.59 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.64 2zzi s VAL 180 Cb -0.25 -3.87 0.13 0.00 0.00 0.00 0.00 36.38 32.39 2zzi s VAL 180 CO 0.19 0.31 0.25 -1.00 0.00 0.00 0.00 175.10 174.85 2zzi s HIS 181 N 0.65 3.46 0.58 5.22 3.76 -0.23 -2.87 115.29 125.85 2zzi s HIS 181 Ca 0.29 -2.86 -0.05 0.00 -0.15 0.00 0.00 55.06 52.28 2zzi s HIS 181 Cb -0.16 -3.03 0.01 0.00 1.11 0.00 0.00 32.58 30.51 2zzi s HIS 181 CO 0.12 -0.86 0.88 -1.25 -0.85 0.00 0.00 174.74 172.78 2zzi s PRO 182 N 0.33 2.97 0.00 8.40 0.04 -1.26 -2.74 135.00 142.74 2zzi s PRO 182 Ca 0.14 -0.02 0.31 0.00 0.04 0.00 0.00 61.00 61.47 2zzi s PRO 182 Cb -0.22 -2.29 1.74 0.00 0.04 0.00 0.00 34.50 33.76 2zzi s PRO 182 CO -0.04 -0.65 2.15 0.41 0.04 0.00 0.00 177.00 178.92 2zzi n GLY 183 N -2.54 -1.06 3.41 0.56 0.00 0.17 -4.58 105.19 101.16 2zzi n GLY 183 Ca 0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2zzi n GLY 183 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2zzi s HIS 184 N -2.20 -0.66 0.05 1.61 3.76 -1.26 -0.34 115.29 116.26 2zzi s HIS 184 Ca 0.41 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.80 2zzi s HIS 184 Cb 0.21 0.28 0.00 0.00 1.11 0.00 0.00 32.58 34.19 2zzi s HIS 184 CO 0.40 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 2zzi n GLY 185 N 3.45 -2.06 3.74 -2.22 0.00 -1.26 -4.79 105.19 102.05 2zzi n GLY 185 Ca -0.17 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 2zzi n GLY 185 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2zzi s PRO 186 N -0.85 2.72 1.15 1.61 0.02 -1.26 -4.78 135.00 133.61 2zzi s PRO 186 Ca 0.00 2.13 -0.19 0.00 0.02 0.00 0.00 61.00 62.96 2zzi s PRO 186 Cb 0.00 -1.97 0.27 0.00 0.02 0.00 0.00 34.50 32.82 2zzi s PRO 186 CO 0.00 -1.49 1.17 0.20 -0.33 0.00 0.00 177.00 176.55 2zzi s GLY 187 N -1.24 1.64 0.00 0.52 0.00 -1.26 -4.22 107.32 102.75 2zzi s GLY 187 Ca 0.79 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2zzi s GLY 187 CO 0.42 -0.18 0.00 -0.37 0.00 0.00 0.00 173.10 172.98 2zzi n THR 188 N -4.52 0.00 -3.92 0.90 5.66 -1.14 -4.82 114.28 106.44 2zzi n THR 188 Ca 0.14 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.04 2zzi n THR 188 Cb 0.60 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.28 2zzi n THR 188 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2zzi s THR 189 N -2.38 0.12 0.34 1.09 -4.23 -1.26 -0.40 115.64 108.91 2zzi s THR 189 Ca 0.00 -0.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 2zzi s THR 189 Cb 0.00 -0.64 0.27 0.00 1.34 0.00 0.00 72.50 73.47 2zzi s THR 189 CO 0.00 -0.52 1.98 -0.07 -0.54 0.00 0.00 174.62 175.47 2zzi h LEU 190 N 4.03 0.78 -0.17 4.79 3.38 -1.44 -0.94 115.31 125.74 2zzi h LEU 190 Ca -0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2zzi h LEU 190 Cb 1.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2zzi h LEU 190 CO 0.46 0.55 0.02 1.23 0.09 0.00 0.00 178.44 180.78 2zzi h GLY 191 N 0.91 0.30 0.99 0.83 0.00 -0.97 -1.51 103.07 103.62 2zzi h GLY 191 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2zzi h GLY 191 CO -0.07 0.19 0.15 -2.00 0.00 0.00 0.00 176.54 174.81 2zzi h LEU 192 N 0.06 0.27 -0.74 3.11 5.85 -1.70 -2.92 115.31 119.23 2zzi h LEU 192 Ca 0.05 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2zzi h LEU 192 Cb 0.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2zzi h LEU 192 CO 0.00 0.22 0.07 -0.33 -0.34 0.00 0.00 178.44 178.07 2zzi h GLU 193 N 0.30 1.03 -0.81 1.25 4.39 -1.18 -1.76 114.58 117.81 2zzi h GLU 193 Ca 0.08 -0.28 0.19 0.00 0.34 0.00 0.00 59.36 59.69 2zzi h GLU 193 Cb -0.01 -0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 28.38 2zzi h GLU 193 CO -0.02 0.96 -0.02 0.00 -1.16 0.00 0.00 179.01 178.78 2zzi h ALA 194 N 1.11 0.83 0.00 3.43 0.00 -1.07 0.48 119.26 124.03 2zzi h ALA 194 Ca 0.19 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2zzi h ALA 194 Cb 0.45 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2zzi h ALA 194 CO 0.02 -0.44 -1.33 2.89 0.00 0.00 0.00 179.25 180.38 2zzi n ARG 195 N -5.40 0.33 -0.09 0.00 1.85 -1.11 -4.59 116.66 107.65 2zzi n ARG 195 Ca 0.15 -0.06 -0.12 0.00 -1.00 0.00 0.00 57.85 56.82 2zzi n ARG 195 Cb 0.52 -1.55 -0.09 0.00 -1.05 0.00 0.00 32.46 30.30 2zzi n ARG 195 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2zzi n THR 196 N -1.93 1.06 -1.93 8.89 -2.24 -0.68 -5.01 114.28 112.43 2zzi n THR 196 Ca 0.01 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 2zzi n THR 196 Cb 0.45 -1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 2zzi n THR 196 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2zzi s ASN 197 N -5.67 6.59 0.00 3.42 3.84 0.12 -4.88 114.94 118.36 2zzi s ASN 197 Ca -0.23 2.60 0.19 0.00 0.21 0.00 0.00 52.86 55.63 2zzi s ASN 197 Cb 0.06 -2.59 1.07 0.00 -0.55 0.00 0.00 41.25 39.24 2zzi s ASN 197 CO 0.45 -0.83 1.57 -0.81 -2.79 0.00 0.00 177.10 174.69 2zzi n PRO 198 N 4.17 0.46 0.00 0.43 -0.04 -1.26 -2.09 135.00 136.67 2zzi n PRO 198 Ca 0.14 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2zzi n PRO 198 Cb 0.39 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2zzi n PRO 198 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2zzi n PHE 199 N -1.12 0.00 0.19 0.54 3.72 -1.26 -5.15 117.46 114.37 2zzi n PHE 199 Ca 0.12 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.54 2zzi n PHE 199 Cb 0.10 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2zzi n PHE 199 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99