#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 3.32 -1.29 3.52 3.72 0.19 -4.90 117.46 122.03 2zzi n PHE 4 Ca 0.00 -3.05 -0.46 0.00 -0.05 0.00 0.00 57.45 53.89 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 -0.29 0.00 -3.64 -1.08 -0.02 -1.26 -3.68 135.00 125.02 2zzi n PRO 5 Ca 0.42 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2zzi n PRO 5 Cb 0.37 -1.02 -0.07 0.00 -0.02 0.00 0.00 33.50 32.76 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 -0.69 -0.00 -0.30 -1.45 0.11 -0.12 -4.95 120.40 113.00 2zzi s VAL 6 Ca 0.64 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.61 2zzi s VAL 6 Cb -0.92 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 2zzi s VAL 6 CO 0.51 0.00 0.12 -0.89 -3.33 0.00 0.00 175.10 171.51 2zzi s THR 7 N 0.63 4.27 0.35 5.04 2.01 -1.26 -0.89 115.64 125.80 2zzi s THR 7 Ca -0.02 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.49 2zzi s THR 7 Cb -0.05 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 2zzi s THR 7 CO -0.03 0.06 0.07 -0.76 -0.69 0.00 0.00 174.62 173.27 2zzi s LEU 8 N 1.55 3.07 0.28 4.42 1.43 -0.63 -4.87 118.68 123.94 2zzi s LEU 8 Ca 0.03 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 2zzi s LEU 8 Cb -0.17 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2zzi s LEU 8 CO 0.04 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2zzi n GLY 9 N -1.05 -3.04 0.43 -3.19 0.00 -1.26 -1.03 105.19 96.04 2zzi n GLY 9 Ca -0.03 -1.24 0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.53 0.15 -0.33 1.61 0.11 -1.98 0.25 132.00 131.27 2zzi h PRO 10 Ca -0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2zzi h PRO 10 Cb 0.60 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2zzi h PRO 10 CO 0.03 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.20 2zzi n LEU 11 N -4.38 2.18 -3.60 2.35 4.77 -1.26 -4.97 117.00 112.09 2zzi n LEU 11 Ca 0.17 -1.02 -0.27 0.00 -0.03 0.00 0.00 56.01 54.86 2zzi n LEU 11 Cb 0.80 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2zzi n LEU 11 CO 0.35 0.51 -0.04 0.00 -1.33 0.00 0.00 177.39 176.88 2zzi n GLN 12 N 0.67 -1.32 -2.26 3.23 1.13 0.88 -4.98 117.38 114.73 2zzi n GLN 12 Ca 0.15 0.60 -0.27 0.00 -1.94 0.00 0.00 57.00 55.54 2zzi n GLN 12 Cb 0.37 -4.25 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 -5.53 2.75 -0.71 -1.09 -6.30 -0.20 -4.53 118.70 103.09 2zzi s GLU 13 Ca 0.40 0.03 -0.03 0.00 -2.50 0.00 0.00 54.97 52.87 2zzi s GLU 13 Cb -0.14 -2.20 0.18 0.00 0.00 0.00 0.00 34.13 31.97 2zzi s GLU 13 CO 0.85 -0.88 0.55 -0.80 0.02 0.00 0.00 175.26 175.00 2zzi s ASN 14 N -4.36 5.53 0.40 -1.70 0.02 0.35 -1.61 114.94 113.58 2zzi s ASN 14 Ca 0.56 -3.06 -0.24 0.00 -1.02 0.00 0.00 52.86 49.09 2zzi s ASN 14 Cb -0.11 -1.90 -0.09 0.00 0.02 0.00 0.00 41.25 39.18 2zzi s ASN 14 CO 0.46 -0.34 1.08 0.00 0.02 0.00 0.00 177.10 178.32 2zzi s ALA 15 N -0.37 3.10 -0.04 0.60 0.00 -0.07 -4.72 121.76 120.25 2zzi s ALA 15 Ca 0.20 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.96 2zzi s ALA 15 Cb -0.16 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2zzi s ALA 15 CO -0.06 -0.30 -0.15 0.71 0.00 0.00 0.00 175.76 175.96 2zzi s TYR 16 N -1.59 1.54 -0.24 0.00 2.02 -0.80 -0.95 117.35 117.33 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 -0.24 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 2zzi s TYR 16 CO 0.30 -0.18 0.22 -1.17 -1.57 0.00 0.00 175.55 173.16 2zzi s LEU 17 N 0.18 4.11 0.04 -1.29 2.96 -1.24 -0.47 118.68 122.97 2zzi s LEU 17 Ca -0.06 0.19 0.09 0.00 -0.22 0.00 0.00 54.13 54.13 2zzi s LEU 17 Cb -0.12 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2zzi s LEU 17 CO 0.02 0.01 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.12 2zzi s VAL 18 N 1.23 2.09 -0.27 1.68 1.01 -0.81 0.56 120.40 125.89 2zzi s VAL 18 Ca 0.10 -1.35 -0.08 0.00 0.00 0.00 0.00 61.98 60.66 2zzi s VAL 18 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2zzi s VAL 18 CO 0.06 0.37 0.09 -0.70 0.00 0.00 0.00 175.10 174.92 2zzi s GLU 19 N -1.17 3.50 0.46 2.72 2.12 -1.26 -1.96 118.70 123.10 2zzi s GLU 19 Ca 0.11 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2zzi s GLU 19 Cb -0.10 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 2zzi s GLU 19 CO 0.02 -0.27 0.03 0.95 -0.54 0.00 0.00 175.26 175.44 2zzi s THR 20 N 1.60 1.28 0.28 -1.70 -4.23 -0.65 -4.92 115.64 107.30 2zzi s THR 20 Ca 0.05 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 2zzi s THR 20 Cb -0.16 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.62 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 1.58 0.98 -1.28 3.99 0.00 -1.99 1.42 103.07 107.77 2zzi h GLY 21 Ca -0.42 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2zzi h GLY 21 CO 0.73 -0.40 0.00 1.18 0.00 0.00 0.00 176.54 178.04 2zzi n GLU 22 N -5.47 1.81 0.00 4.80 4.71 -1.26 -5.02 120.64 120.20 2zzi n GLU 22 Ca 0.18 -1.23 0.00 0.00 -0.01 0.00 0.00 57.16 56.10 2zzi n GLU 22 Cb 0.60 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 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 -0.22 3.74 0.62 0.00 0.49 -4.97 105.19 105.87 2zzi n GLY 23 Ca 0.11 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 4.56 0.15 1.61 0.02 -1.26 -1.63 135.00 138.46 2zzi s PRO 24 Ca 0.00 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.78 2zzi s PRO 24 Cb 0.00 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2zzi s PRO 24 CO 0.00 0.02 -0.02 0.14 -0.33 0.00 0.00 177.00 176.81 2zzi s VAL 25 N -0.08 0.67 -0.15 3.83 -7.23 -0.83 0.03 120.40 116.64 2zzi s VAL 25 Ca 0.51 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2zzi s VAL 25 Cb -0.30 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2zzi s VAL 25 CO 0.35 -0.59 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.20 2zzi s LEU 26 N -3.13 1.69 -0.29 1.32 2.96 -0.22 -1.93 118.68 119.08 2zzi s LEU 26 Ca 0.20 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 2zzi s LEU 26 Cb 0.06 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 2zzi s LEU 26 CO 0.01 -0.08 0.29 -0.63 -1.32 0.00 0.00 176.35 174.62 2zzi s ILE 27 N 1.51 5.24 -0.81 6.68 1.01 0.38 0.11 121.20 135.31 2zzi s ILE 27 Ca 0.04 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2zzi s ILE 27 Cb -0.13 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2zzi s ILE 27 CO -0.10 0.15 0.74 0.47 0.00 0.00 0.00 174.94 176.21 2zzi n ASP 28 N 5.21 -7.39 -4.57 3.58 8.00 0.32 -1.90 116.55 119.81 2zzi n ASP 28 Ca -0.11 -0.26 -0.29 0.00 0.71 0.00 0.00 54.79 54.84 2zzi n ASP 28 Cb 0.51 -5.09 -0.05 0.00 -0.02 0.00 0.00 41.12 36.46 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 -3.43 2.67 0.11 -0.24 0.04 -1.14 -4.00 135.00 129.01 2zzi s PRO 29 Ca 0.10 -0.80 -0.16 0.00 0.04 0.00 0.00 61.00 60.19 2zzi s PRO 29 Cb -0.02 -5.18 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 2zzi s PRO 29 CO 0.76 -3.51 1.56 0.78 0.04 0.00 0.00 177.00 176.63 2zzi h GLY 30 N 17.24 0.67 -0.70 0.56 0.00 -1.77 -0.33 103.07 118.74 2zzi h GLY 30 Ca 0.17 -0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.10 2zzi h GLY 30 CO 1.24 0.44 0.30 1.34 0.00 0.00 0.00 176.54 179.86 2zzi n ASP 31 N -4.52 -0.83 -3.31 0.19 -0.08 -1.26 -0.46 116.55 106.28 2zzi n ASP 31 Ca -0.02 -1.42 -0.16 0.00 -1.51 0.00 0.00 54.79 51.69 2zzi n ASP 31 Cb 0.26 1.34 0.01 0.00 2.34 0.00 0.00 41.12 45.07 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 -0.36 -1.70 0.31 -0.67 1.02 -1.26 -4.58 120.64 113.40 2zzi n GLU 32 Ca -0.01 1.39 -0.17 0.00 -0.02 0.00 0.00 57.16 58.35 2zzi n GLU 32 Cb 0.28 -4.09 -0.09 0.00 -0.02 0.00 0.00 31.44 27.53 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 -0.90 -0.86 3.49 0.13 -1.93 -2.49 132.00 130.26 2zzi h PRO 33 Ca -0.29 0.06 0.12 0.00 -0.87 0.00 0.00 66.00 65.02 2zzi h PRO 33 Cb 1.19 0.21 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 2zzi h PRO 33 CO 0.29 -0.60 -0.45 0.93 -0.23 0.00 0.00 178.00 177.94 2zzi h GLU 34 N -0.94 -0.07 -1.03 0.86 3.07 -1.96 5.05 114.58 119.57 2zzi h GLU 34 Ca -0.06 0.00 0.28 0.00 -0.50 0.00 0.00 59.36 59.09 2zzi h GLU 34 Cb 0.80 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.66 2zzi h GLU 34 CO -0.00 -0.05 0.71 -0.22 -1.40 0.00 0.00 179.01 178.05 2zzi h LYS 35 N -0.07 0.16 0.00 2.33 3.64 -1.90 2.19 116.57 122.91 2zzi h LYS 35 Ca 0.25 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2zzi h LYS 35 Cb 0.54 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2zzi h LYS 35 CO -0.88 0.10 -0.50 -0.07 -2.27 0.00 0.00 179.45 175.84 2zzi h LEU 36 N 0.16 0.00 -0.49 5.20 3.38 0.91 -2.13 115.31 122.34 2zzi h LEU 36 Ca 0.52 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2zzi h LEU 36 Cb 1.75 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.44 2zzi h LEU 36 CO -0.11 1.10 0.12 -0.07 0.09 0.00 0.00 178.44 179.57 2zzi h LEU 37 N -1.00 0.05 -1.18 1.67 3.38 0.57 -1.56 115.31 117.25 2zzi h LEU 37 Ca -0.13 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2zzi h LEU 37 Cb 0.95 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2zzi h LEU 37 CO -0.08 0.06 -0.37 0.00 0.09 0.00 0.00 178.44 178.14 2zzi h ALA 38 N 1.37 1.18 -0.31 1.53 0.00 0.35 -1.71 119.26 121.66 2zzi h ALA 38 Ca 0.25 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2zzi h ALA 38 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2zzi h ALA 38 CO -0.30 0.46 -0.00 1.25 0.00 0.00 0.00 179.25 180.66 2zzi h LEU 39 N 0.00 0.45 -0.16 0.00 5.85 -0.63 -2.69 115.31 118.12 2zzi h LEU 39 Ca -0.00 -0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.41 2zzi h LEU 39 Cb 0.75 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.68 2zzi h LEU 39 CO 0.05 0.52 -0.83 -0.26 -0.34 0.00 0.00 178.44 177.58 2zzi h PHE 40 N 0.46 1.01 -0.99 1.25 0.04 -0.46 -1.03 116.94 117.23 2zzi h PHE 40 Ca 0.10 -0.47 0.26 0.00 2.80 0.00 0.00 57.97 60.67 2zzi h PHE 40 Cb 0.31 -0.15 -0.19 0.00 2.20 0.00 0.00 35.95 38.12 2zzi h PHE 40 CO 0.01 1.29 -0.02 1.04 -0.60 0.00 0.00 178.31 180.03 2zzi n GLN 41 N -3.90 -0.08 -0.10 1.51 1.13 -0.80 -0.95 117.38 114.18 2zzi n GLN 41 Ca -0.08 1.50 -0.21 0.00 -1.94 0.00 0.00 57.00 56.27 2zzi n GLN 41 Cb 0.77 -2.35 -0.11 0.00 0.11 0.00 0.00 30.24 28.66 2zzi n GLN 41 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2zzi h THR 42 N 0.00 0.86 -0.95 5.09 1.35 -1.54 -3.37 112.91 114.35 2zzi h THR 42 Ca 0.58 -2.12 0.29 0.00 -0.55 0.00 0.00 66.41 64.62 2zzi h THR 42 Cb 1.16 2.10 -0.16 0.00 -1.73 0.00 0.00 68.15 69.52 2zzi h THR 42 CO -0.95 0.29 0.35 0.71 -0.25 0.00 0.00 175.52 175.67 2zzi h THR 43 N -1.00 0.22 0.00 6.82 1.35 -0.82 -3.44 112.91 116.04 2zzi h THR 43 Ca -0.33 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2zzi h THR 43 Cb 1.27 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2zzi h THR 43 CO -0.20 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 2zzi n GLY 44 N -1.35 2.18 3.63 5.82 0.00 -0.13 -4.97 105.19 110.37 2zzi n GLY 44 Ca 0.27 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 3.84 -0.02 0.99 1.43 -1.26 -5.02 118.68 118.64 2zzi s LEU 45 Ca 0.00 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 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 -1.27 0.33 -0.63 0.23 0.00 0.00 176.35 175.01 2zzi s ILE 46 N 5.18 5.18 0.01 -0.59 1.09 -1.26 -4.76 121.20 126.05 2zzi s ILE 46 Ca 0.68 0.60 -0.30 0.00 -1.10 0.00 0.00 60.65 60.53 2zzi s ILE 46 Cb -0.22 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2zzi s ILE 46 CO 0.29 0.55 1.20 -2.16 -0.10 0.00 0.00 174.94 174.72 2zzi s PRO 47 N -1.18 4.40 0.30 2.79 0.04 -1.26 -4.54 135.00 135.55 2zzi s PRO 47 Ca 0.22 1.73 0.26 0.00 0.04 0.00 0.00 61.00 63.25 2zzi s PRO 47 Cb -0.15 -3.45 0.94 0.00 0.04 0.00 0.00 34.50 31.88 2zzi s PRO 47 CO 0.11 -0.34 1.76 -0.07 0.04 0.00 0.00 177.00 178.51 2zzi h LEU 48 N 7.46 0.00 -7.00 -3.56 3.38 -0.75 -3.46 115.31 111.38 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 0.56 0.00 0.09 0.00 0.00 178.44 179.93 2zzi s ALA 49 N -3.30 -2.00 -0.31 1.53 0.00 -1.26 -4.51 121.76 111.92 2zzi s ALA 49 Ca 0.06 1.77 -0.18 0.00 0.00 0.00 0.00 51.96 53.61 2zzi s ALA 49 Cb 0.10 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2zzi s ALA 49 CO 0.50 -0.24 0.49 0.42 0.00 0.00 0.00 175.76 176.93 2zzi s ILE 50 N -0.23 5.05 -0.15 0.00 1.01 -0.91 -1.06 121.20 124.92 2zzi s ILE 50 Ca 0.03 0.55 -0.07 0.00 0.00 0.00 0.00 60.65 61.16 2zzi s ILE 50 Cb -0.04 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2zzi s ILE 50 CO -0.05 -0.06 0.08 -0.76 0.00 0.00 0.00 174.94 174.15 2zzi s LEU 51 N 2.32 4.00 -0.17 2.97 1.02 0.12 -1.02 118.68 127.93 2zzi s LEU 51 Ca 0.19 0.23 -0.00 0.00 0.02 0.00 0.00 54.13 54.57 2zzi s LEU 51 Cb -0.16 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.07 2zzi s LEU 51 CO 0.11 0.28 -0.15 -0.76 0.02 0.00 0.00 176.35 175.85 2zzi s LEU 52 N -0.24 2.46 0.17 1.79 1.43 -0.66 -0.52 118.68 123.11 2zzi s LEU 52 Ca 0.09 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2zzi s LEU 52 Cb -0.12 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.57 2zzi s LEU 52 CO 0.01 0.06 1.43 0.71 0.23 0.00 0.00 176.35 178.79 2zzi h THR 53 N 5.72 1.34 -3.15 5.49 1.35 -1.88 -3.42 112.91 118.36 2zzi h THR 53 Ca -0.36 -2.00 -0.01 0.00 -0.55 0.00 0.00 66.41 63.49 2zzi h THR 53 Cb 1.18 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 69.54 2zzi h THR 53 CO 0.59 0.61 0.19 -1.38 -0.25 0.00 0.00 175.52 175.27 2zzi s HIS 54 N -3.77 0.11 -0.29 4.73 0.00 -1.26 -0.58 115.29 114.23 2zzi s HIS 54 Ca -0.07 -0.65 0.12 0.00 -3.00 0.00 0.00 55.06 51.46 2zzi s HIS 54 Cb 0.10 0.66 0.69 0.00 -4.00 0.00 0.00 32.58 30.04 2zzi s HIS 54 CO 0.85 -1.37 1.70 0.00 -1.00 0.00 0.00 174.74 174.92 2zzi n ALA 55 N -0.50 4.19 -1.77 -1.38 0.00 -1.26 -4.82 120.51 114.98 2zzi n ALA 55 Ca -0.05 -2.38 -0.41 0.00 0.00 0.00 0.00 53.44 50.60 2zzi n ALA 55 Cb 0.60 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.97 3.19 0.35 0.00 3.76 -1.26 -3.91 115.29 114.45 2zzi s HIS 56 Ca 0.52 1.49 0.12 0.00 -0.15 0.00 0.00 55.06 57.04 2zzi s HIS 56 Cb 0.42 -3.57 0.92 0.00 1.11 0.00 0.00 32.58 31.46 2zzi s HIS 56 CO 0.12 -1.50 1.78 0.27 -0.85 0.00 0.00 174.74 174.56 2zzi h PHE 57 N 3.48 0.85 0.00 1.40 -0.00 -1.93 0.11 116.94 120.85 2zzi h PHE 57 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 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 0.15 0.00 -0.40 -0.00 0.00 0.00 178.31 178.63 2zzi n ASP 58 N -4.69 0.00 0.00 -0.68 5.75 -1.26 -2.51 116.55 113.16 2zzi n ASP 58 Ca 0.24 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 2zzi n ASP 58 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.77 2.11 8.25 0.38 -4.44 115.22 119.90 2zzi n HIS 59 Ca 0.09 0.00 0.01 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 -0.78 0.44 0.53 1.59 0.24 -1.04 -2.87 118.33 116.44 2zzi n VAL 60 Ca 0.00 -0.47 0.11 0.00 -2.04 0.00 0.00 64.34 61.94 2zzi n VAL 60 Cb 0.00 0.71 0.45 0.00 -1.47 0.00 0.00 33.84 33.53 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 -0.25 -1.33 0.00 7.63 0.00 0.39 -2.83 105.19 108.80 2zzi n GLY 61 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.68 3.32 -0.13 4.61 0.00 -0.14 -4.20 120.51 122.27 2zzi n ALA 62 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.08 2zzi n ALA 62 Cb 0.27 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 0.27 -0.23 0.00 2.07 -1.54 -1.64 116.25 115.17 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 0.36 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2zzi h VAL 63 CO 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.31 2zzi h ALA 64 N 0.93 -0.53 -0.17 1.67 0.00 -1.82 0.19 119.26 119.53 2zzi h ALA 64 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2zzi h ALA 64 Cb 0.52 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 2zzi h ALA 64 CO -0.55 -0.67 -0.54 -1.35 0.00 0.00 0.00 179.25 176.14 2zzi h PRO 65 N -0.19 -0.53 -0.89 0.00 0.11 -1.79 -0.37 132.00 128.33 2zzi h PRO 65 Ca 0.04 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.37 2zzi h PRO 65 Cb 0.30 0.12 -0.11 0.00 0.11 0.00 0.00 31.00 31.42 2zzi h PRO 65 CO -0.31 -0.36 0.44 -0.07 -0.21 0.00 0.00 178.00 177.49 2zzi h LEU 66 N -0.55 0.47 -0.28 2.35 3.38 -0.96 -1.40 115.31 118.31 2zzi h LEU 66 Ca 0.04 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2zzi h LEU 66 Cb 0.66 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2zzi h LEU 66 CO -0.45 0.12 -0.05 0.58 0.09 0.00 0.00 178.44 178.73 2zzi h VAL 67 N 0.54 1.28 0.00 1.22 2.07 0.29 -1.07 116.25 120.57 2zzi h VAL 67 Ca 0.53 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2zzi h VAL 67 Cb 0.89 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2zzi h VAL 67 CO -0.44 0.34 0.00 1.21 0.02 0.00 0.00 177.57 178.69 2zzi n GLU 68 N -4.52 0.70 0.00 1.57 2.13 -0.24 0.16 120.64 120.44 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 0.30 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.77 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 -0.74 1.97 -0.76 4.31 0.00 -0.88 -4.81 120.51 119.59 2zzi n ALA 69 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2zzi n ALA 69 Cb 0.04 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.74 0.45 -2.50 0.00 4.32 -0.44 -5.02 117.00 112.07 2zzi n LEU 70 Ca 0.00 -0.45 -0.10 0.00 -0.02 0.00 0.00 56.01 55.44 2zzi n LEU 70 Cb 0.27 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.07 2zzi n LEU 70 CO 0.00 0.11 -0.11 0.47 -1.22 0.00 0.00 177.39 176.64 2zzi n ASP 71 N -0.11 -3.14 -4.77 -1.43 10.43 0.12 -4.91 116.55 112.75 2zzi n ASP 71 Ca 0.00 0.25 -0.40 0.00 2.57 0.00 0.00 54.79 57.21 2zzi n ASP 71 Cb 0.42 -2.70 -0.02 0.00 1.84 0.00 0.00 41.12 40.66 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 -5.49 4.35 0.55 0.64 1.43 -1.26 -5.01 118.68 113.88 2zzi s LEU 72 Ca 0.02 2.65 -0.18 0.00 -1.03 0.00 0.00 54.13 55.59 2zzi s LEU 72 Cb -0.01 -3.75 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 2zzi s LEU 72 CO 0.02 -0.64 1.07 -2.16 0.23 0.00 0.00 176.35 174.87 2zzi s PRO 73 N -1.96 3.44 -0.25 1.29 0.04 -1.26 -4.84 135.00 131.46 2zzi s PRO 73 Ca 0.52 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2zzi s PRO 73 Cb -0.38 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.15 2zzi s PRO 73 CO 0.50 -0.73 -0.08 0.08 0.04 0.00 0.00 177.00 176.82 2zzi s VAL 74 N -2.15 2.69 -0.16 -0.36 1.01 -1.26 -2.15 120.40 118.02 2zzi s VAL 74 Ca 0.67 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2zzi s VAL 74 Cb -0.18 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2zzi s VAL 74 CO 0.30 0.16 0.60 -0.31 0.00 0.00 0.00 175.10 175.85 2zzi s TYR 75 N 1.28 3.44 -0.12 5.22 2.02 -0.19 -0.01 117.35 128.99 2zzi s TYR 75 Ca -0.02 0.96 -0.13 0.00 -0.37 0.00 0.00 57.07 57.52 2zzi s TYR 75 Cb -0.17 -2.74 0.03 0.00 -0.40 0.00 0.00 41.96 38.68 2zzi s TYR 75 CO -0.05 -0.05 0.35 -1.17 -1.57 0.00 0.00 175.55 173.06 2zzi s LEU 76 N 1.44 0.66 0.01 -1.29 2.96 -0.60 -1.65 118.68 120.21 2zzi s LEU 76 Ca 0.29 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.53 2zzi s LEU 76 Cb -0.16 1.23 -0.06 0.00 0.50 0.00 0.00 46.19 47.70 2zzi s LEU 76 CO 0.12 -0.17 1.53 -2.28 -1.32 0.00 0.00 176.35 174.23 2zzi s HIS 77 N -0.02 2.53 0.47 5.38 5.65 -1.26 -1.68 115.29 126.36 2zzi s HIS 77 Ca -0.02 0.53 0.28 0.00 0.25 0.00 0.00 55.06 56.10 2zzi s HIS 77 Cb -0.03 -3.81 1.33 0.00 -1.18 0.00 0.00 32.58 28.89 2zzi s HIS 77 CO 0.01 -3.18 1.77 -1.00 -0.65 0.00 0.00 174.74 171.69 2zzi h PRO 78 N 8.34 0.19 0.00 2.88 0.13 -1.90 -0.31 132.00 141.32 2zzi h PRO 78 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2zzi h PRO 78 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2zzi h PRO 78 CO 0.92 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 180.10 2zzi n LEU 79 N -4.43 0.47 -0.51 1.56 4.77 -1.26 -1.61 117.00 115.97 2zzi n LEU 79 Ca 0.26 0.67 0.09 0.00 -0.03 0.00 0.00 56.01 57.01 2zzi n LEU 79 Cb 1.09 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2zzi n LEU 79 CO 0.32 -0.71 0.35 0.47 -1.33 0.00 0.00 177.39 176.48 2zzi n ASP 80 N -2.08 2.01 -0.19 -1.43 9.92 -0.13 -4.04 116.55 120.60 2zzi n ASP 80 Ca 0.00 -1.51 -0.08 0.00 -0.53 0.00 0.00 54.79 52.67 2zzi n ASP 80 Cb 0.10 0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 40.90 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 2.53 -1.45 -0.58 0.64 -0.00 -1.40 0.45 115.31 115.50 2zzi h LEU 81 Ca 0.00 0.24 0.12 0.00 -0.00 0.00 0.00 57.88 58.24 2zzi h LEU 81 Cb 0.68 0.66 -0.11 0.00 -0.00 0.00 0.00 40.66 41.89 2zzi h LEU 81 CO 0.00 -0.34 -0.14 -0.65 -0.00 0.00 0.00 178.44 177.31 2zzi h PRO 82 N -0.23 -0.00 0.53 1.13 0.11 -1.81 0.53 132.00 132.25 2zzi h PRO 82 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 2zzi h PRO 82 Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2zzi h PRO 82 CO -0.67 -0.00 -0.26 -0.07 -0.21 0.00 0.00 178.00 176.79 2zzi h LEU 83 N -0.00 -0.61 -0.78 2.35 3.38 -1.62 -2.37 115.31 115.66 2zzi h LEU 83 Ca 0.28 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.44 2zzi h LEU 83 Cb 0.42 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 2zzi h LEU 83 CO -0.59 -0.41 0.04 0.22 0.09 0.00 0.00 178.44 177.78 2zzi h TYR 84 N -0.75 0.00 0.00 1.13 3.20 0.13 0.25 116.97 120.94 2zzi h TYR 84 Ca -0.07 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 2zzi h TYR 84 Cb 0.56 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2zzi h TYR 84 CO -0.03 -0.24 -0.21 0.93 -1.64 0.00 0.00 178.16 176.97 2zzi h GLU 85 N 0.12 0.00 -0.37 1.82 5.08 0.10 -3.00 114.58 118.33 2zzi h GLU 85 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2zzi h GLU 85 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2zzi h GLU 85 CO -0.68 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 177.95 2zzi n GLY 86 N 0.02 1.75 0.37 -3.84 0.00 0.60 -4.67 105.19 99.42 2zzi n GLY 86 Ca -0.00 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 3.65 2.43 -0.14 4.61 0.00 -0.62 -2.36 119.26 126.84 2zzi h ALA 87 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2zzi h ALA 87 Cb 0.87 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2zzi h ALA 87 CO 0.00 -0.58 -0.60 0.38 0.00 0.00 0.00 179.25 178.45 2zzi h ASP 88 N 0.00 0.52 -0.11 0.00 2.03 -1.84 -1.28 116.42 115.75 2zzi h ASP 88 Ca 0.22 -0.29 -0.12 0.00 -0.73 0.00 0.00 57.03 56.11 2zzi h ASP 88 Cb 0.90 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 2zzi h ASP 88 CO -0.00 1.00 -0.39 0.25 -1.03 0.00 0.00 179.24 179.06 2zzi h LEU 89 N 0.34 0.53 -0.88 0.15 5.85 -1.80 -2.89 115.31 116.62 2zzi h LEU 89 Ca -0.00 -0.62 0.22 0.00 0.84 0.00 0.00 57.88 58.31 2zzi h LEU 89 Cb 1.13 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.88 2zzi h LEU 89 CO 0.11 1.06 0.36 0.00 -0.34 0.00 0.00 178.44 179.62 2zzi h ALA 90 N 0.48 1.38 -0.99 1.25 0.00 -1.40 0.29 119.26 120.28 2zzi h ALA 90 Ca -0.02 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2zzi h ALA 90 Cb 1.03 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2zzi h ALA 90 CO 0.08 -0.36 0.64 0.00 0.00 0.00 0.00 179.25 179.62 2zzi h ALA 91 N 1.71 1.36 0.00 0.00 0.00 -1.03 -1.10 119.26 120.20 2zzi h ALA 91 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2zzi h ALA 91 Cb 1.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2zzi h ALA 91 CO -0.54 0.46 0.00 0.54 0.00 0.00 0.00 179.25 179.71 2zzi n ARG 92 N -4.49 0.15 0.18 0.00 1.74 1.00 -1.23 116.66 114.01 2zzi n ARG 92 Ca 0.15 0.35 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 2zzi n ARG 92 Cb 0.16 -1.77 0.48 0.00 -1.02 0.00 0.00 32.46 30.30 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 2.36 1.00 -0.60 7.54 0.00 -0.82 -2.36 119.26 126.38 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 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 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 -2.61 0.80 -1.11 0.00 7.02 -0.36 -4.93 117.44 116.25 2zzi n TRP 94 Ca 0.03 -0.48 -0.04 0.00 -1.02 0.00 0.00 57.50 55.99 2zzi n TRP 94 Cb 0.34 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.21 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 1.33 0.61 0.00 6.99 0.00 -0.89 -5.01 105.19 108.23 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 -0.44 0.00 -3.64 0.99 4.77 -0.79 -4.97 117.00 112.93 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 0.26 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 2zzi n LEU 96 CO 0.06 -0.44 0.50 0.00 -1.33 0.00 0.00 177.39 176.18 2zzi s ALA 97 N -2.00 -1.95 0.09 -1.18 0.00 -1.26 -3.55 121.76 111.90 2zzi s ALA 97 Ca 0.00 2.19 0.05 0.00 0.00 0.00 0.00 51.96 54.20 2zzi s ALA 97 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2zzi s ALA 97 CO 0.00 -0.34 -0.13 0.96 0.00 0.00 0.00 175.76 176.25 2zzi s ILE 98 N 1.03 1.16 -0.16 0.00 -0.00 -1.26 -5.07 121.20 116.89 2zzi s ILE 98 Ca -0.05 -1.51 -0.29 0.00 -0.00 0.00 0.00 60.65 58.80 2zzi s ILE 98 Cb -0.05 -1.28 -0.03 0.00 -0.00 0.00 0.00 42.46 41.10 2zzi s ILE 98 CO -0.11 -0.35 1.55 -2.16 -0.00 0.00 0.00 174.94 173.87 2zzi s PRO 99 N -2.25 4.00 -0.29 0.37 0.04 -1.26 -4.82 135.00 130.79 2zzi s PRO 99 Ca 0.03 1.82 -0.43 0.00 0.04 0.00 0.00 61.00 62.46 2zzi s PRO 99 Cb -0.07 -3.97 -0.19 0.00 0.04 0.00 0.00 34.50 30.31 2zzi s PRO 99 CO 0.02 -1.04 1.35 1.17 0.04 0.00 0.00 177.00 178.53 2zzi n LYS 100 N 7.29 0.00 -1.74 4.56 4.81 -1.26 -4.63 118.16 127.19 2zzi n LYS 100 Ca 0.17 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.22 2zzi n LYS 100 Cb 0.44 -1.45 0.03 0.00 0.02 0.00 0.00 35.03 34.07 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 2.92 1.99 -2.92 1.64 -0.02 -1.26 -4.73 135.00 132.61 2zzi n PRO 101 Ca 0.26 0.72 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 2zzi n PRO 101 Cb -0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 30.88 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 -2.55 3.78 0.23 0.52 0.04 -1.26 -4.94 135.00 130.82 2zzi s PRO 102 Ca 0.65 0.44 0.09 0.00 0.04 0.00 0.00 61.00 62.21 2zzi s PRO 102 Cb -0.45 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2zzi s PRO 102 CO 0.55 0.00 -0.01 -0.51 0.04 0.00 0.00 177.00 177.07 2zzi s LEU 103 N -3.76 3.21 0.00 -3.56 1.43 -1.26 -4.73 118.68 110.02 2zzi s LEU 103 Ca 0.51 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2zzi s LEU 103 Cb -0.10 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2zzi s LEU 103 CO 0.30 0.03 0.02 -0.81 0.23 0.00 0.00 176.35 176.13 2zzi n PRO 104 N -0.61 0.54 -4.02 1.29 -0.04 -1.26 -5.18 135.00 125.71 2zzi n PRO 104 Ca -0.08 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.25 2zzi n PRO 104 Cb 0.58 -0.02 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.04 0.16 -0.15 0.52 -7.23 -1.26 -4.64 120.40 107.83 2zzi s VAL 105 Ca 0.01 -1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 2zzi s VAL 105 Cb -0.00 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2zzi s VAL 105 CO 0.01 -0.71 0.34 -0.13 -0.31 0.00 0.00 175.10 174.29 2zzi s ARG 106 N -2.53 4.27 0.23 4.82 0.52 0.98 -4.93 118.95 122.31 2zzi s ARG 106 Ca -0.06 0.18 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 2zzi s ARG 106 Cb -0.02 -3.43 -0.09 0.00 0.52 0.00 0.00 34.95 31.93 2zzi s ARG 106 CO -0.05 0.23 1.29 -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 -1.56 135.00 141.09 2zzi s PRO 107 Ca 0.19 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2zzi s PRO 107 Cb -0.13 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 2zzi s PRO 107 CO 0.05 -0.21 0.66 -0.51 0.04 0.00 0.00 177.00 177.04 2zzi s LEU 108 N -0.55 3.69 -0.28 -3.56 1.43 -0.68 -4.82 118.68 113.91 2zzi s LEU 108 Ca 0.54 0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.75 2zzi s LEU 108 Cb -0.37 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 42.74 2zzi s LEU 108 CO 0.41 -0.65 0.82 -0.70 0.23 0.00 0.00 176.35 176.46 2zzi s GLU 109 N -4.53 0.67 0.15 1.70 2.12 -1.26 -4.46 118.70 113.09 2zzi s GLU 109 Ca 0.47 0.92 -0.34 0.00 0.36 0.00 0.00 54.97 56.39 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 1.18 -1.91 -0.54 0.00 0.00 175.26 174.27 2zzi n GLU 110 N 3.12 1.12 0.00 4.30 4.07 -1.26 -0.84 120.64 131.14 2zzi n GLU 110 Ca -0.16 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 2zzi n GLU 110 Cb 0.57 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 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 2.09 2.71 3.74 8.31 0.00 -0.26 -5.00 105.19 116.79 2zzi n GLY 111 Ca 0.16 0.00 -0.41 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 -0.18 4.19 -0.18 1.61 -2.45 -0.02 -4.73 119.30 117.53 2zzi s MET 112 Ca 0.00 2.46 -0.06 0.00 -1.25 0.00 0.00 55.69 56.83 2zzi s MET 112 Cb 0.00 -3.07 -0.04 0.00 1.25 0.00 0.00 34.83 32.97 2zzi s MET 112 CO 0.00 -0.55 0.04 1.03 1.05 0.00 0.00 175.02 176.58 2zzi s ARG 113 N -0.25 3.89 -0.17 4.11 3.00 -1.26 -0.89 118.95 127.38 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 -0.45 -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 0.02 -1.60 2.53 2.34 -0.88 -4.94 118.68 116.57 2zzi s LEU 114 Ca 0.01 0.96 -0.14 0.00 0.06 0.00 0.00 54.13 55.02 2zzi s LEU 114 Cb -0.13 1.80 0.11 0.00 -0.56 0.00 0.00 46.19 47.41 2zzi s LEU 114 CO 0.01 -0.23 0.80 0.49 -1.06 0.00 0.00 176.35 176.36 2zzi n PHE 115 N 2.56 -1.92 0.00 3.48 3.72 -1.26 -0.37 117.46 123.67 2zzi n PHE 115 Ca -0.14 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 2zzi n PHE 115 Cb 0.56 -3.44 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 -1.58 2.78 3.79 1.37 0.00 -1.26 -4.75 105.19 105.54 2zzi n GLY 116 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.62 2.85 -0.28 1.61 0.08 0.50 -4.75 117.98 117.37 2zzi s PHE 117 Ca 0.00 1.50 0.01 0.00 0.12 0.00 0.00 56.93 58.56 2zzi s PHE 117 Cb 0.00 -2.99 0.08 0.00 -0.57 0.00 0.00 43.02 39.54 2zzi s PHE 117 CO 0.00 -1.47 -0.00 -1.14 -0.10 0.00 0.00 175.22 172.50 2zzi s GLN 118 N -4.77 1.46 -0.18 0.44 0.74 -0.37 -2.07 119.66 114.93 2zzi s GLN 118 Ca 0.61 -1.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.46 2zzi s GLN 118 Cb -0.16 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.26 2zzi s GLN 118 CO 0.52 -0.76 1.48 0.08 -0.55 0.00 0.00 175.29 176.06 2zzi s VAL 119 N 1.28 3.89 -0.19 1.34 1.01 -0.07 -2.73 120.40 124.94 2zzi s VAL 119 Ca 0.01 1.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.97 2zzi s VAL 119 Cb -0.19 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2zzi s VAL 119 CO -0.10 -0.22 0.04 -0.76 0.00 0.00 0.00 175.10 174.06 2zzi s LEU 120 N 4.34 3.59 -0.29 3.92 1.02 -0.52 -1.10 118.68 129.63 2zzi s LEU 120 Ca 0.65 -0.03 -0.25 0.00 0.02 0.00 0.00 54.13 54.52 2zzi s LEU 120 Cb -0.25 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.06 2zzi s LEU 120 CO 0.24 0.13 0.86 -2.28 0.02 0.00 0.00 176.35 175.33 2zzi s HIS 121 N 0.63 3.22 -0.47 0.29 2.46 -1.26 -0.12 115.29 120.03 2zzi s HIS 121 Ca 0.02 0.97 0.06 0.00 0.47 0.00 0.00 55.06 56.58 2zzi s HIS 121 Cb -0.13 -3.29 0.20 0.00 -0.13 0.00 0.00 32.58 29.23 2zzi s HIS 121 CO 0.02 -0.58 0.46 1.28 -2.47 0.00 0.00 174.74 173.45 2zzi n LEU 122 N 6.31 0.69 -4.66 8.88 4.77 0.14 -4.97 117.00 128.16 2zzi n LEU 122 Ca 0.06 -4.71 -0.29 0.00 -0.03 0.00 0.00 56.01 51.04 2zzi n LEU 122 Cb 0.48 0.25 0.20 0.00 -2.33 0.00 0.00 43.42 42.01 2zzi n LEU 122 CO 0.52 1.93 0.64 -2.84 -1.33 0.00 0.00 177.39 176.31 2zzi s PRO 123 N -0.81 -0.17 0.00 3.23 0.02 -1.23 -4.54 135.00 131.50 2zzi s PRO 123 Ca 0.33 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.60 2zzi s PRO 123 Cb 0.08 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.91 2zzi s PRO 123 CO -0.15 -3.07 0.00 0.41 -0.33 0.00 0.00 177.00 173.86 2zzi n GLY 124 N -1.19 3.18 0.20 0.52 0.00 -1.26 -3.41 105.19 103.23 2zzi n GLY 124 Ca 0.08 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 0.68 -3.26 1.61 -0.00 -1.83 0.30 115.15 112.66 2zzi h HIS 125 Ca 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 60.37 60.09 2zzi h HIS 125 Cb 0.00 -0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 27.19 2zzi h HIS 125 CO 0.00 1.01 0.06 -1.54 -0.00 0.00 0.00 177.93 177.45 2zzi s SER 126 N -6.95 -0.29 0.42 3.26 1.04 -1.26 -4.16 113.70 105.75 2zzi s SER 126 Ca -0.07 -0.43 0.12 0.00 0.48 0.00 0.00 55.95 56.05 2zzi s SER 126 Cb 0.11 0.59 0.89 0.00 0.10 0.00 0.00 66.02 67.70 2zzi s SER 126 CO 0.84 -1.05 1.95 -0.65 0.98 0.00 0.00 173.24 175.31 2zzi h PRO 127 N 2.17 0.09 -0.25 4.02 0.11 -1.83 -3.05 132.00 133.26 2zzi h PRO 127 Ca -0.29 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 2zzi h PRO 127 Cb 1.27 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 2zzi h PRO 127 CO 0.37 0.28 -0.25 0.41 -0.21 0.00 0.00 178.00 178.59 2zzi n GLY 128 N -0.91 5.07 3.71 -0.55 0.00 -1.26 -4.73 105.19 106.52 2zzi n GLY 128 Ca -0.02 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.27 3.51 0.41 1.61 2.46 -1.15 -4.40 115.29 114.46 2zzi s HIS 129 Ca 0.43 1.48 0.05 0.00 0.47 0.00 0.00 55.06 57.48 2zzi s HIS 129 Cb 0.40 -3.28 -0.06 0.00 -0.13 0.00 0.00 32.58 29.51 2zzi s HIS 129 CO -0.03 -0.68 0.03 0.14 -2.47 0.00 0.00 174.74 171.74 2zzi s VAL 130 N 1.22 1.47 0.02 0.89 -7.23 0.25 0.23 120.40 117.25 2zzi s VAL 130 Ca 0.55 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2zzi s VAL 130 Cb -0.25 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 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 1.19 -0.43 1.32 0.00 0.83 -4.63 121.76 117.09 2zzi s ALA 131 Ca 0.28 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 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 0.25 0.30 -0.06 0.00 0.00 0.00 175.76 176.40 2zzi s PHE 132 N -0.62 3.28 -0.19 0.00 0.08 -0.75 -1.44 117.98 118.34 2zzi s PHE 132 Ca 0.03 -1.13 -0.16 0.00 0.12 0.00 0.00 56.93 55.80 2zzi s PHE 132 Cb -0.07 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2zzi s PHE 132 CO 0.00 -0.77 0.38 -0.47 -0.10 0.00 0.00 175.22 174.26 2zzi s TYR 133 N 1.55 3.39 -0.59 0.36 5.04 -1.10 -0.86 117.35 125.13 2zzi s TYR 133 Ca 0.03 0.61 0.01 0.00 -2.44 0.00 0.00 57.07 55.28 2zzi s TYR 133 Cb -0.22 -2.50 0.15 0.00 0.35 0.00 0.00 41.96 39.74 2zzi s TYR 133 CO 0.05 0.03 0.37 0.34 -1.34 0.00 0.00 175.55 175.00 2zzi s ASP 134 N 0.97 4.78 0.39 4.32 2.15 -0.56 -1.23 116.67 127.48 2zzi s ASP 134 Ca 0.19 -3.04 0.08 0.00 0.43 0.00 0.00 52.55 50.20 2zzi s ASP 134 Cb -0.14 -1.74 0.79 0.00 -0.30 0.00 0.00 42.92 41.53 2zzi s ASP 134 CO 0.07 -0.27 1.96 1.55 -0.17 0.00 0.00 175.17 178.31 2zzi h PRO 135 N 6.61 0.38 0.00 4.34 0.13 -1.85 0.61 132.00 142.21 2zzi h PRO 135 Ca -0.03 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 2zzi h PRO 135 Cb 0.90 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2zzi h PRO 135 CO 0.71 0.39 -0.18 0.93 -0.23 0.00 0.00 178.00 179.61 2zzi h GLU 136 N 0.37 0.00 0.00 0.86 3.07 -1.92 -2.66 114.58 114.30 2zzi h GLU 136 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2zzi h GLU 136 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2zzi h GLU 136 CO 0.00 0.18 -1.06 0.41 -1.40 0.00 0.00 179.01 177.15 2zzi n GLY 137 N -0.22 -1.35 2.27 -3.84 0.00 0.74 -4.97 105.19 97.83 2zzi n GLY 137 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.05 -0.41 -3.76 4.61 0.00 0.18 -4.94 120.51 114.13 2zzi n ALA 138 Ca 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 2zzi n ALA 138 Cb 0.51 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.37 0.41 -3.64 0.00 10.64 -0.87 -1.93 117.38 119.62 2zzi n GLN 139 Ca -0.17 -2.04 -0.09 0.00 -1.83 0.00 0.00 57.00 52.87 2zzi n GLN 139 Cb 0.62 1.85 -0.07 0.00 -0.86 0.00 0.00 30.24 31.79 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 -0.70 -0.39 0.11 -0.11 -1.50 120.40 115.04 2zzi s VAL 140 Ca 0.22 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 2zzi s VAL 140 Cb 0.00 -0.99 0.17 0.00 -1.53 0.00 0.00 36.38 34.03 2zzi s VAL 140 CO 0.16 0.00 0.67 -0.36 -3.33 0.00 0.00 175.10 172.24 2zzi s PHE 141 N 1.25 3.49 -0.25 1.54 0.08 -0.04 -1.03 117.98 123.02 2zzi s PHE 141 Ca -0.07 -1.63 0.13 0.00 0.12 0.00 0.00 56.93 55.48 2zzi s PHE 141 Cb -0.05 -3.84 0.65 0.00 -0.57 0.00 0.00 43.02 39.20 2zzi s PHE 141 CO -0.13 -1.04 1.61 -1.13 -0.10 0.00 0.00 175.22 174.43 2zzi n SER 142 N 4.72 4.31 0.00 1.36 3.41 -1.10 -1.80 113.62 124.52 2zzi n SER 142 Ca 0.02 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 2zzi n SER 142 Cb 0.44 -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 -0.31 2.55 0.44 5.00 0.00 -1.25 -1.23 105.19 110.40 2zzi n GLY 143 Ca 0.31 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.31 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 1.25 1.31 0.24 1.61 9.92 -1.26 -0.63 116.55 128.98 2zzi n ASP 144 Ca 0.00 -1.80 -0.09 0.00 -0.53 0.00 0.00 54.79 52.36 2zzi n ASP 144 Cb 0.00 -0.12 -0.04 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 1.59 -0.52 -8.39 0.64 6.46 -1.56 -2.20 115.31 111.34 2zzi h LEU 145 Ca 0.00 0.02 -0.67 0.00 -0.12 0.00 0.00 57.88 57.11 2zzi h LEU 145 Cb 0.35 0.13 -0.31 0.00 -0.73 0.00 0.00 40.66 40.11 2zzi h LEU 145 CO 0.00 -0.36 -0.84 -0.22 -0.62 0.00 0.00 178.44 176.40 2zzi s LEU 146 N -6.79 2.31 0.42 2.25 2.96 -1.26 -1.72 118.68 116.85 2zzi s LEU 146 Ca -0.09 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2zzi s LEU 146 Cb 0.01 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 2zzi s LEU 146 CO 0.27 0.13 0.24 -0.36 -1.32 0.00 0.00 176.35 175.31 2zzi s PHE 147 N 0.52 2.58 -0.90 5.38 0.08 0.35 -4.58 117.98 121.42 2zzi s PHE 147 Ca -0.12 -0.58 -0.24 0.00 0.12 0.00 0.00 56.93 56.10 2zzi s PHE 147 Cb -0.17 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2zzi s PHE 147 CO 0.05 0.08 1.77 0.50 -0.10 0.00 0.00 175.22 177.52 2zzi s ARG 148 N -3.98 2.88 0.00 0.44 6.06 -1.26 -3.07 118.95 120.02 2zzi s ARG 148 Ca 0.42 -0.43 0.00 0.00 -2.50 0.00 0.00 55.73 53.22 2zzi s ARG 148 Cb 0.02 -5.04 0.00 0.00 0.06 0.00 0.00 34.95 29.99 2zzi s ARG 148 CO 0.24 -2.93 0.00 0.41 -2.50 0.00 0.00 175.30 170.51 2zzi n GLY 149 N 6.68 0.79 3.77 8.12 0.00 -1.26 -5.01 105.19 118.27 2zzi n GLY 149 Ca 0.34 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.05 0.12 0.17 1.61 0.15 -1.18 -4.42 113.70 108.10 2zzi s SER 150 Ca 0.00 -1.19 0.01 0.00 0.70 0.00 0.00 55.95 55.47 2zzi s SER 150 Cb 0.00 0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 65.10 2zzi s SER 150 CO 0.00 -1.65 0.05 0.68 1.20 0.00 0.00 173.24 173.52 2zzi s VAL 151 N -2.40 0.41 0.49 4.45 -7.23 -1.26 -0.49 120.40 114.37 2zzi s VAL 151 Ca 0.17 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.15 2zzi s VAL 151 Cb -0.05 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.62 2zzi s VAL 151 CO 0.12 -0.36 1.28 0.61 -0.31 0.00 0.00 175.10 176.45 2zzi n GLY 152 N -0.23 0.57 3.45 2.32 0.00 -0.70 -4.89 105.19 105.71 2zzi n GLY 152 Ca -0.04 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.52 0.32 -1.26 1.61 1.74 -1.26 -4.89 116.66 112.40 2zzi n ARG 153 Ca 0.09 0.15 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 2zzi n ARG 153 Cb 0.43 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.26 0.00 -0.00 -1.55 4.11 -1.26 -4.39 117.16 111.81 2zzi n TYR 154 Ca 0.10 -0.54 0.00 0.00 -0.00 0.00 0.00 57.90 57.46 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 0.25 0.00 -4.75 9.48 5.68 -1.26 -4.32 116.55 121.63 2zzi n ASP 155 Ca 0.07 -0.34 -0.37 0.00 -0.50 0.00 0.00 54.79 53.64 2zzi n ASP 155 Cb 1.04 0.68 0.04 0.00 -1.14 0.00 0.00 41.12 41.74 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 -1.36 3.72 -0.06 -2.12 1.43 -1.26 -4.86 118.68 114.17 2zzi s LEU 156 Ca 0.00 2.57 -0.37 0.00 -1.03 0.00 0.00 54.13 55.30 2zzi s LEU 156 Cb 0.00 -4.48 -0.15 0.00 0.03 0.00 0.00 46.19 41.60 2zzi s LEU 156 CO 0.00 -1.66 1.65 -2.65 0.23 0.00 0.00 176.35 173.92 2zzi n PRO 157 N -1.43 1.59 -0.00 1.29 -0.02 -1.26 -0.99 135.00 134.18 2zzi n PRO 157 Ca 0.13 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2zzi n PRO 157 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 3.70 0.15 3.89 -1.23 0.00 -1.26 -4.96 105.19 105.47 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 -2.04 3.12 -0.30 4.61 0.00 -0.16 -3.71 121.76 123.28 2zzi s ALA 159 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 2zzi s ALA 159 Cb 0.00 -2.85 0.16 0.00 0.00 0.00 0.00 23.12 20.43 2zzi s ALA 159 CO 0.00 -0.86 0.64 0.34 0.00 0.00 0.00 175.76 175.88 2zzi s ASP 160 N -4.28 -1.24 0.10 0.00 2.15 0.11 -4.85 116.67 108.66 2zzi s ASP 160 Ca 0.55 1.20 -0.29 0.00 0.43 0.00 0.00 52.55 54.44 2zzi s ASP 160 Cb -0.11 2.21 -0.11 0.00 -0.30 0.00 0.00 42.92 44.62 2zzi s ASP 160 CO 0.49 -0.23 1.63 -0.65 -0.17 0.00 0.00 175.17 176.23 2zzi h PRO 161 N 7.99 -0.57 -0.86 4.34 0.11 -1.80 0.50 132.00 141.69 2zzi h PRO 161 Ca -0.20 0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.09 2zzi h PRO 161 Cb 1.13 0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.28 2zzi h PRO 161 CO 0.17 -0.38 0.46 0.87 -0.21 0.00 0.00 178.00 178.91 2zzi h LYS 162 N -0.59 0.64 0.31 1.05 6.56 -1.97 0.53 116.57 123.09 2zzi h LYS 162 Ca 0.00 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.54 2zzi h LYS 162 Cb 0.57 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2zzi h LYS 162 CO -0.11 0.42 -0.15 0.00 -2.06 0.00 0.00 179.45 177.56 2zzi h ALA 163 N 1.56 -0.42 -0.72 3.86 0.00 -1.71 -1.70 119.26 120.12 2zzi h ALA 163 Ca 0.47 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.39 2zzi h ALA 163 Cb 0.64 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2zzi h ALA 163 CO -0.35 -0.67 0.49 1.25 0.00 0.00 0.00 179.25 179.97 2zzi h LEU 164 N -0.55 0.37 -0.00 0.00 5.85 0.14 -0.39 115.31 120.73 2zzi h LEU 164 Ca -0.04 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2zzi h LEU 164 Cb 0.40 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2zzi h LEU 164 CO 0.07 0.19 -0.16 0.15 -0.34 0.00 0.00 178.44 178.36 2zzi h PHE 165 N 0.39 0.17 -0.89 1.25 3.04 0.31 -0.13 116.94 121.09 2zzi h PHE 165 Ca 0.35 -0.09 0.01 0.00 3.98 0.00 0.00 57.97 62.22 2zzi h PHE 165 Cb 0.82 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.27 2zzi h PHE 165 CO -0.00 0.87 0.58 0.00 -2.02 0.00 0.00 178.31 177.73 2zzi h ALA 166 N 0.26 1.35 -0.53 2.41 0.00 -1.08 -1.47 119.26 120.20 2zzi h ALA 166 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2zzi h ALA 166 Cb 0.91 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2zzi h ALA 166 CO 0.03 0.60 0.27 1.03 0.00 0.00 0.00 179.25 181.18 2zzi h SER 167 N 1.21 0.68 -0.17 0.00 0.87 -1.03 -2.18 113.55 112.92 2zzi h SER 167 Ca 0.32 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2zzi h SER 167 Cb -0.12 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2zzi h SER 167 CO -0.07 0.59 0.05 -0.07 -0.53 0.00 0.00 176.83 176.81 2zzi h LEU 168 N 0.71 0.24 -1.19 2.23 3.38 -0.62 -2.70 115.31 117.35 2zzi h LEU 168 Ca 0.18 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2zzi h LEU 168 Cb 0.08 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2zzi h LEU 168 CO -0.03 0.38 0.59 0.50 0.09 0.00 0.00 178.44 179.97 2zzi h LYS 169 N 0.10 0.80 0.17 1.13 3.64 -1.13 0.21 116.57 121.48 2zzi h LYS 169 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2zzi h LYS 169 Cb 0.22 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2zzi h LYS 169 CO -0.00 0.53 -0.32 0.00 -2.27 0.00 0.00 179.45 177.38 2zzi h ARG 170 N 0.82 -0.51 -0.63 1.90 2.47 -1.21 -2.92 114.38 114.29 2zzi h ARG 170 Ca 0.45 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.34 2zzi h ARG 170 Cb 0.57 0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 28.89 2zzi h ARG 170 CO -0.21 -0.34 -0.06 1.25 0.56 0.00 0.00 179.97 181.16 2zzi h LEU 171 N -0.53 -0.41 0.00 3.04 5.85 -0.62 -0.86 115.31 121.78 2zzi h LEU 171 Ca -0.02 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2zzi h LEU 171 Cb 0.50 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2zzi h LEU 171 CO -0.12 -0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.00 2zzi n LEU 172 N -5.35 0.00 -0.71 2.25 7.99 0.50 -1.91 117.00 119.77 2zzi n LEU 172 Ca 0.09 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.16 2zzi n LEU 172 Cb 0.36 0.00 0.15 0.00 -0.11 0.00 0.00 43.42 43.82 2zzi n LEU 172 CO 0.08 0.00 0.60 -1.54 -1.51 0.00 0.00 177.39 175.02 2zzi n SER 173 N -0.63 2.85 -1.96 -1.43 3.41 -0.33 -4.95 113.62 110.57 2zzi n SER 173 Ca 0.04 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2zzi n SER 173 Cb 0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.75 0.00 -4.63 1.04 4.77 -0.80 -4.97 117.00 113.16 2zzi n LEU 174 Ca 0.12 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.67 2zzi n LEU 174 Cb 0.43 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2zzi n LEU 174 CO 0.09 -0.39 1.71 -2.65 -1.33 0.00 0.00 177.39 174.83 2zzi n PRO 175 N -0.78 2.32 -0.35 3.23 -0.02 -1.26 -4.84 135.00 133.30 2zzi n PRO 175 Ca 0.00 0.77 0.25 0.00 -2.02 0.00 0.00 63.50 62.49 2zzi n PRO 175 Cb 0.00 -3.05 0.50 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 1.53 132.00 145.10 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 -4.82 0.65 -1.89 1.05 4.71 -1.26 -0.50 120.64 118.58 2zzi n GLU 177 Ca 0.30 0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 57.04 2zzi n GLU 177 Cb 0.99 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.89 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 -2.09 2.66 -0.16 2.62 2.01 0.52 -4.89 115.64 116.32 2zzi s THR 178 Ca 0.32 0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.39 2zzi s THR 178 Cb 0.15 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2zzi s THR 178 CO 0.27 0.02 1.22 -0.60 -0.69 0.00 0.00 174.62 174.84 2zzi s ARG 179 N 1.74 4.25 -0.11 4.92 6.06 -0.81 -2.52 118.95 132.48 2zzi s ARG 179 Ca 0.73 1.62 -0.19 0.00 -2.50 0.00 0.00 55.73 55.39 2zzi s ARG 179 Cb -0.44 -3.72 -0.04 0.00 0.06 0.00 0.00 34.95 30.81 2zzi s ARG 179 CO 0.32 -0.66 0.53 0.08 -2.50 0.00 0.00 175.30 173.07 2zzi s VAL 180 N 3.27 5.15 -0.47 7.11 1.01 0.24 -0.93 120.40 135.78 2zzi s VAL 180 Ca 0.53 1.07 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2zzi s VAL 180 Cb -0.21 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.42 2zzi s VAL 180 CO 0.15 0.31 0.23 -1.00 0.00 0.00 0.00 175.10 174.79 2zzi s HIS 181 N 0.66 3.49 0.58 5.22 3.76 -0.20 -2.87 115.29 125.93 2zzi s HIS 181 Ca 0.29 -2.85 -0.05 0.00 -0.15 0.00 0.00 55.06 52.30 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 -0.87 0.88 -1.25 -0.85 0.00 0.00 174.74 172.77 2zzi s PRO 182 N 0.42 2.91 0.00 8.40 0.04 -1.26 -2.70 135.00 142.80 2zzi s PRO 182 Ca 0.13 -0.07 0.31 0.00 0.04 0.00 0.00 61.00 61.42 2zzi s PRO 182 Cb -0.22 -2.30 1.75 0.00 0.04 0.00 0.00 34.50 33.77 2zzi s PRO 182 CO -0.04 -0.67 2.15 0.41 0.04 0.00 0.00 177.00 178.89 2zzi n GLY 183 N -2.54 -1.01 3.43 0.56 0.00 0.20 -4.58 105.19 101.24 2zzi n GLY 183 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.15 -0.67 0.06 1.61 3.76 -1.26 -0.49 115.29 116.15 2zzi s HIS 184 Ca 0.42 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.85 2zzi s HIS 184 Cb 0.21 0.29 0.00 0.00 1.11 0.00 0.00 32.58 34.19 2zzi s HIS 184 CO 0.39 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 2zzi n GLY 185 N 3.39 -2.05 3.73 -2.22 0.00 -1.26 -4.78 105.19 102.00 2zzi n GLY 185 Ca -0.17 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.90 2.64 1.14 1.61 0.02 -1.26 -4.78 135.00 133.48 2zzi s PRO 186 Ca 0.00 2.11 -0.19 0.00 0.02 0.00 0.00 61.00 62.95 2zzi s PRO 186 Cb 0.00 -1.92 0.27 0.00 0.02 0.00 0.00 34.50 32.87 2zzi s PRO 186 CO 0.00 -1.54 1.18 0.20 -0.33 0.00 0.00 177.00 176.50 2zzi s GLY 187 N -1.30 1.64 0.00 0.52 0.00 -1.26 -4.22 107.32 102.70 2zzi s GLY 187 Ca 0.81 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2zzi s GLY 187 CO 0.42 -0.19 0.00 -0.37 0.00 0.00 0.00 173.10 172.96 2zzi n THR 188 N -4.49 0.00 -3.92 0.90 5.66 -1.14 -4.82 114.28 106.47 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 -2.28 0.11 0.34 1.09 -4.23 -1.26 -0.60 115.64 108.82 2zzi s THR 189 Ca 0.00 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 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 -0.51 1.98 -0.07 -0.54 0.00 0.00 174.62 175.48 2zzi h LEU 190 N 4.03 0.77 -0.19 4.79 3.38 -1.44 -0.89 115.31 125.75 2zzi h LEU 190 Ca -0.32 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 2zzi h LEU 190 Cb 1.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2zzi h LEU 190 CO 0.46 0.54 -0.00 1.23 0.09 0.00 0.00 178.44 180.75 2zzi h GLY 191 N 0.90 0.37 0.99 0.83 0.00 -1.07 -1.33 103.07 103.76 2zzi h GLY 191 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2zzi h GLY 191 CO -0.07 0.25 0.10 -2.00 0.00 0.00 0.00 176.54 174.82 2zzi h LEU 192 N 0.10 0.18 -0.75 3.11 5.85 -1.70 -2.94 115.31 119.16 2zzi h LEU 192 Ca 0.05 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2zzi h LEU 192 Cb 0.39 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2zzi h LEU 192 CO 0.01 0.14 0.13 -0.33 -0.34 0.00 0.00 178.44 178.05 2zzi h GLU 193 N 0.20 1.08 -0.84 1.25 4.39 -1.17 -1.65 114.58 117.85 2zzi h GLU 193 Ca 0.06 -0.27 0.20 0.00 0.34 0.00 0.00 59.36 59.69 2zzi h GLU 193 Cb -0.01 -0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 28.35 2zzi h GLU 193 CO -0.01 0.98 -0.01 0.00 -1.16 0.00 0.00 179.01 178.81 2zzi h ALA 194 N 1.11 0.89 0.00 3.43 0.00 -1.05 0.27 119.26 123.91 2zzi h ALA 194 Ca 0.21 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2zzi h ALA 194 Cb 0.40 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2zzi h ALA 194 CO 0.01 -0.46 -1.38 2.89 0.00 0.00 0.00 179.25 180.31 2zzi n ARG 195 N -5.40 0.30 -0.09 0.00 1.85 -1.09 -4.60 116.66 107.64 2zzi n ARG 195 Ca 0.16 -0.08 -0.12 0.00 -1.00 0.00 0.00 57.85 56.82 2zzi n ARG 195 Cb 0.55 -1.52 -0.09 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.87 1.03 -1.96 8.89 -2.24 -0.64 -5.01 114.28 112.48 2zzi n THR 196 Ca 0.01 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2zzi n THR 196 Cb 0.44 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 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 -5.57 6.62 0.00 3.42 3.84 0.05 -4.89 114.94 118.41 2zzi s ASN 197 Ca -0.21 2.55 0.18 0.00 0.21 0.00 0.00 52.86 55.59 2zzi s ASN 197 Cb 0.06 -2.58 1.03 0.00 -0.55 0.00 0.00 41.25 39.20 2zzi s ASN 197 CO 0.45 -0.82 1.52 -0.81 -2.79 0.00 0.00 177.10 174.66 2zzi n PRO 198 N 4.39 0.44 0.00 0.43 -0.04 -1.26 -2.01 135.00 136.95 2zzi n PRO 198 Ca 0.14 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2zzi n PRO 198 Cb 0.39 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.73 0.54 3.72 -1.26 -4.38 117.46 112.22 2zzi n PHE 199 Ca 0.12 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.19 2zzi n PHE 199 Cb 0.10 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2zzi n PHE 199 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2zzi n LEU 200 N -0.69 5.69 0.00 4.37 4.32 -0.85 -5.13 117.00 124.70 2zzi n LEU 200 Ca 0.08 -5.49 0.00 0.00 -0.02 0.00 0.00 56.01 50.59 2zzi n LEU 200 Cb 0.39 -0.79 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 2zzi n LEU 200 CO 0.32 2.20 0.00 0.41 -1.22 0.00 0.00 177.39 179.10