#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yp1 n SER 3 N 0.00 0.00 -4.76 0.00 7.64 -1.26 -4.59 113.62 110.65 1yp1 n SER 3 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1yp1 n SER 3 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1yp1 n SER 3 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1yp1 s PRO 4 N -1.00 2.82 -0.20 1.43 0.04 -1.26 -4.89 135.00 131.94 1yp1 s PRO 4 Ca 0.00 1.58 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 1yp1 s PRO 4 Cb 0.00 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1yp1 s PRO 4 CO 0.00 -1.26 0.96 -1.14 0.04 0.00 0.00 177.00 175.60 1yp1 s GLN 5 N -3.76 4.28 0.39 4.56 -0.44 -1.26 -4.75 119.66 118.68 1yp1 s GLN 5 Ca 0.71 1.23 0.05 0.00 -2.50 0.00 0.00 55.36 54.85 1yp1 s GLN 5 Cb -0.24 -3.62 -0.06 0.00 -1.64 0.00 0.00 33.01 27.45 1yp1 s GLN 5 CO 0.38 -0.51 0.04 0.14 0.50 0.00 0.00 175.29 175.83 1yp1 s VAL 6 N 2.78 1.42 -0.18 1.34 -7.23 -0.61 -4.82 120.40 113.11 1yp1 s VAL 6 Ca 0.42 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.44 1yp1 s VAL 6 Cb -0.16 -2.73 0.05 0.00 0.56 0.00 0.00 36.38 34.11 1yp1 s VAL 6 CO 0.09 0.00 0.47 -0.55 -0.31 0.00 0.00 175.10 174.80 1yp1 s SER 7 N -3.64 -0.52 -0.16 4.85 0.15 -0.24 -1.00 113.70 113.14 1yp1 s SER 7 Ca 0.30 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.93 1yp1 s SER 7 Cb 0.07 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1yp1 s SER 7 CO 0.14 -0.17 -0.17 -0.69 1.20 0.00 0.00 173.24 173.55 1yp1 s VAL 8 N 0.55 2.47 -0.50 4.45 1.01 0.67 -4.22 120.40 124.83 1yp1 s VAL 8 Ca -0.02 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1yp1 s VAL 8 Cb -0.04 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1yp1 s VAL 8 CO -0.03 0.52 0.66 -0.89 0.00 0.00 0.00 175.10 175.37 1yp1 s THR 9 N 0.88 4.81 -0.23 3.92 2.01 -1.26 -1.12 115.64 124.65 1yp1 s THR 9 Ca -0.04 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 1yp1 s THR 9 Cb -0.15 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1yp1 s THR 9 CO -0.02 -0.80 0.12 -0.22 -0.69 0.00 0.00 174.62 173.02 1yp1 s LEU 10 N 2.82 3.91 -0.20 4.42 2.96 0.71 -0.46 118.68 132.85 1yp1 s LEU 10 Ca 0.18 0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.06 1yp1 s LEU 10 Cb -0.17 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1yp1 s LEU 10 CO 0.14 0.07 0.06 -1.58 -1.32 0.00 0.00 176.35 173.72 1yp1 s GLN 11 N 1.04 3.87 0.10 1.98 2.00 0.04 -0.84 119.66 127.84 1yp1 s GLN 11 Ca 0.06 -0.39 -0.03 0.00 -2.00 0.00 0.00 55.36 53.00 1yp1 s GLN 11 Cb -0.14 -3.24 -0.05 0.00 0.80 0.00 0.00 33.01 30.38 1yp1 s GLN 11 CO 0.04 0.14 0.30 -0.51 -0.50 0.00 0.00 175.29 174.75 1yp1 s LEU 12 N 0.74 4.31 -0.05 3.68 1.43 -0.71 -0.71 118.68 127.37 1yp1 s LEU 12 Ca 0.03 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1yp1 s LEU 12 Cb -0.13 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 43.00 1yp1 s LEU 12 CO 0.02 0.12 -0.05 -0.69 0.23 0.00 0.00 176.35 175.98 1yp1 s VAL 13 N -1.56 0.61 -0.22 -1.59 1.01 -0.82 -0.53 120.40 117.29 1yp1 s VAL 13 Ca 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1yp1 s VAL 13 Cb -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1yp1 s VAL 13 CO 0.25 0.25 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 1yp1 s VAL 14 N 0.98 3.47 0.94 2.92 1.01 0.83 0.27 120.40 130.82 1yp1 s VAL 14 Ca -0.10 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1yp1 s VAL 14 Cb -0.14 -2.58 0.17 0.00 0.00 0.00 0.00 36.38 33.83 1yp1 s VAL 14 CO -0.00 0.42 1.28 1.51 0.00 0.00 0.00 175.10 178.30 1yp1 s ASP 15 N 1.47 3.35 0.20 3.32 -4.77 -0.87 -0.72 116.67 118.65 1yp1 s ASP 15 Ca 0.06 0.42 -0.12 0.00 -3.30 0.00 0.00 52.55 49.61 1yp1 s ASP 15 Cb -0.14 -0.59 0.12 0.00 -1.09 0.00 0.00 42.92 41.22 1yp1 s ASP 15 CO -0.02 -2.60 1.87 0.28 0.70 0.00 0.00 175.17 175.39 1yp1 h SER 16 N -1.55 0.77 -0.38 2.11 0.02 -1.90 -0.60 113.55 112.02 1yp1 h SER 16 Ca -0.45 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1yp1 h SER 16 Cb 1.26 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1yp1 h SER 16 CO 0.45 0.56 0.25 0.77 -1.14 0.00 0.00 176.83 177.72 1yp1 h SER 17 N 0.91 0.42 -0.55 3.07 4.64 -1.94 0.17 113.55 120.28 1yp1 h SER 17 Ca 0.25 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 1yp1 h SER 17 Cb -0.10 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1yp1 h SER 17 CO -0.05 0.31 -0.09 -0.03 -0.87 0.00 0.00 176.83 176.10 1yp1 h MET 18 N 0.51 1.03 -0.45 4.77 -1.53 -1.82 -0.26 114.93 117.18 1yp1 h MET 18 Ca 0.14 -0.37 0.06 0.00 -3.44 0.00 0.00 59.70 56.09 1yp1 h MET 18 Cb -0.05 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 30.88 1yp1 h MET 18 CO -0.04 1.06 0.16 0.35 0.14 0.00 0.00 176.91 178.59 1yp1 h PHE 19 N 0.92 0.29 -0.64 1.39 3.57 -0.52 -2.05 116.94 119.90 1yp1 h PHE 19 Ca 0.15 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1yp1 h PHE 19 Cb 0.65 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1yp1 h PHE 19 CO 0.04 0.11 0.04 0.00 -2.23 0.00 0.00 178.31 176.27 1yp1 h ALA 20 N 1.30 0.86 -0.45 2.41 0.00 -0.73 -0.14 119.26 122.51 1yp1 h ALA 20 Ca 0.21 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1yp1 h ALA 20 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1yp1 h ALA 20 CO -0.21 0.67 0.31 -0.22 0.00 0.00 0.00 179.25 179.80 1yp1 h LYS 21 N 1.01 0.26 -0.82 0.00 3.64 -0.40 0.17 116.57 120.44 1yp1 h LYS 21 Ca 0.19 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 1yp1 h LYS 21 Cb 0.52 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 1yp1 h LYS 21 CO 0.02 0.17 0.18 0.66 -2.27 0.00 0.00 179.45 178.22 1yp1 n TYR 22 N -4.47 1.74 -3.36 1.91 4.02 -0.83 -4.88 117.16 111.29 1yp1 n TYR 22 Ca 0.07 -0.87 -0.24 0.00 -0.01 0.00 0.00 57.90 56.84 1yp1 n TYR 22 Cb 0.33 -0.53 0.05 0.00 -0.02 0.00 0.00 39.34 39.17 1yp1 n TYR 22 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1yp1 n ASN 23 N 0.01 -5.90 -2.77 7.72 3.02 0.61 -2.33 115.26 115.63 1yp1 n ASN 23 Ca 0.28 -0.44 -0.15 0.00 -0.03 0.00 0.00 54.58 54.24 1yp1 n ASN 23 Cb 1.08 -4.72 -0.00 0.00 -0.61 0.00 0.00 39.78 35.53 1yp1 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yp1 n GLY 24 N -1.70 -0.50 3.32 7.41 0.00 -0.09 -4.91 105.19 108.73 1yp1 n GLY 24 Ca -0.04 0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 1yp1 n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yp1 s ASP 25 N -2.28 6.19 0.28 1.61 -1.08 -0.98 -4.94 116.67 115.47 1yp1 s ASP 25 Ca 0.14 -1.71 -0.02 0.00 -0.52 0.00 0.00 52.55 50.44 1yp1 s ASP 25 Cb -0.07 -2.23 0.39 0.00 -1.46 0.00 0.00 42.92 39.55 1yp1 s ASP 25 CO 0.17 -0.90 1.85 0.00 0.52 0.00 0.00 175.17 176.81 1yp1 h ALA 26 N 8.94 1.24 -0.60 3.66 0.00 -1.91 -1.91 119.26 128.68 1yp1 h ALA 26 Ca -0.30 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1yp1 h ALA 26 Cb 1.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1yp1 h ALA 26 CO 1.05 0.55 0.03 0.87 0.00 0.00 0.00 179.25 181.74 1yp1 h LYS 27 N 0.87 1.04 -0.42 0.00 1.57 -1.99 -1.21 116.57 116.44 1yp1 h LYS 27 Ca 0.20 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1yp1 h LYS 27 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1yp1 h LYS 27 CO -0.01 1.00 0.05 -0.22 -0.57 0.00 0.00 179.45 179.70 1yp1 h LYS 28 N 0.96 0.71 -0.50 3.15 3.64 -1.85 -2.18 116.57 120.50 1yp1 h LYS 28 Ca 0.18 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1yp1 h LYS 28 Cb 0.52 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1yp1 h LYS 28 CO 0.02 0.76 0.17 0.82 -2.27 0.00 0.00 179.45 178.96 1yp1 h ILE 29 N 0.56 1.22 -0.32 2.00 2.04 -1.23 -1.68 117.51 120.10 1yp1 h ILE 29 Ca 0.13 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1yp1 h ILE 29 Cb 0.40 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1yp1 h ILE 29 CO 0.01 0.27 0.22 0.58 0.00 0.00 0.00 178.15 179.23 1yp1 h VAL 30 N 0.67 1.08 -0.85 1.67 2.07 -1.12 -0.57 116.25 119.21 1yp1 h VAL 30 Ca 0.16 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1yp1 h VAL 30 Cb 0.24 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1yp1 h VAL 30 CO -0.01 0.08 0.45 0.74 0.02 0.00 0.00 177.57 178.85 1yp1 h THR 31 N 0.44 1.25 -0.22 2.57 2.02 -1.29 0.89 112.91 118.57 1yp1 h THR 31 Ca 0.12 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1yp1 h THR 31 Cb -0.05 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1yp1 h THR 31 CO -0.03 0.29 0.08 0.58 0.37 0.00 0.00 175.52 176.81 1yp1 h VAL 32 N 1.19 1.18 -0.21 3.16 2.07 -0.85 -2.17 116.25 120.63 1yp1 h VAL 32 Ca 0.30 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1yp1 h VAL 32 Cb 0.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1yp1 h VAL 32 CO -0.04 0.18 -0.49 -0.07 0.02 0.00 0.00 177.57 177.17 1yp1 h LEU 33 N 0.20 0.61 -0.98 2.57 3.38 -0.88 -2.74 115.31 117.47 1yp1 h LEU 33 Ca 0.07 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1yp1 h LEU 33 Cb 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1yp1 h LEU 33 CO -0.00 1.00 0.46 0.44 0.09 0.00 0.00 178.44 180.42 1yp1 h ASP 34 N 0.44 1.05 -0.73 -0.43 3.32 -0.73 0.23 116.42 119.57 1yp1 h ASP 34 Ca 0.02 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1yp1 h ASP 34 Cb 1.01 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 1yp1 h ASP 34 CO 0.09 0.85 0.43 0.74 -1.72 0.00 0.00 179.24 179.63 1yp1 h THR 35 N 1.18 1.21 -0.24 0.35 2.02 -1.25 0.14 112.91 116.32 1yp1 h THR 35 Ca 0.30 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1yp1 h THR 35 Cb 0.03 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1yp1 h THR 35 CO -0.05 0.23 -0.23 0.03 0.37 0.00 0.00 175.52 175.87 1yp1 h ARG 36 N 1.01 0.58 -0.81 6.66 3.08 -1.05 -2.89 114.38 120.96 1yp1 h ARG 36 Ca 0.26 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1yp1 h ARG 36 Cb -0.01 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1yp1 h ARG 36 CO -0.05 0.89 0.35 0.28 -1.07 0.00 0.00 179.97 180.37 1yp1 h VAL 37 N 0.29 1.26 -0.70 2.04 2.07 -0.27 -0.71 116.25 120.22 1yp1 h VAL 37 Ca 0.04 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1yp1 h VAL 37 Cb 0.78 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1yp1 h VAL 37 CO 0.06 0.33 0.46 0.78 0.02 0.00 0.00 177.57 179.22 1yp1 h ASN 38 N 1.18 0.61 -0.08 0.57 2.35 -0.65 0.12 115.58 119.68 1yp1 h ASN 38 Ca 0.27 0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.80 1yp1 h ASN 38 Cb 0.18 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.44 1yp1 h ASN 38 CO -0.03 0.39 -0.84 0.40 -1.65 0.00 0.00 177.43 175.70 1yp1 h ILE 39 N 0.69 1.28 -0.87 2.81 2.04 -1.16 -2.78 117.51 119.53 1yp1 h ILE 39 Ca 0.31 -2.05 0.10 0.00 1.00 0.00 0.00 64.86 64.22 1yp1 h ILE 39 Cb 0.31 2.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 1yp1 h ILE 39 CO -0.10 0.64 0.56 0.24 0.00 0.00 0.00 178.15 179.49 1yp1 h MET 40 N 0.49 0.79 -0.59 2.37 2.86 0.22 0.13 114.93 121.20 1yp1 h MET 40 Ca -0.07 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1yp1 h MET 40 Cb 1.47 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 1yp1 h MET 40 CO 0.17 0.52 0.18 0.87 1.06 0.00 0.00 176.91 179.71 1yp1 h LYS 41 N 0.81 0.89 -0.33 1.72 1.57 -0.55 -1.47 116.57 119.20 1yp1 h LYS 41 Ca 0.41 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1yp1 h LYS 41 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1yp1 h LYS 41 CO -0.17 0.77 -0.31 0.77 -0.57 0.00 0.00 179.45 179.93 1yp1 h SER 42 N 0.86 0.73 -0.79 0.86 0.02 -0.79 -1.41 113.55 113.03 1yp1 h SER 42 Ca 0.19 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1yp1 h SER 42 Cb 0.26 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1yp1 h SER 42 CO -0.01 0.99 0.35 0.40 -1.14 0.00 0.00 176.83 177.42 1yp1 h ILE 43 N 0.60 1.25 0.00 3.27 2.04 -0.53 -2.91 117.51 121.23 1yp1 h ILE 43 Ca 0.07 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1yp1 h ILE 43 Cb 0.83 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1yp1 h ILE 43 CO 0.07 0.32 -0.37 0.49 0.00 0.00 0.00 178.15 178.66 1yp1 n PHE 44 N -4.33 0.07 -0.21 1.37 3.01 -0.61 -4.24 117.46 112.52 1yp1 n PHE 44 Ca 0.07 0.02 0.01 0.00 1.01 0.00 0.00 57.45 58.56 1yp1 n PHE 44 Cb 0.16 -0.37 0.10 0.00 -0.01 0.00 0.00 39.48 39.37 1yp1 n PHE 44 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1yp1 h LYS 45 N 0.00 0.10 -0.22 -1.08 3.64 -1.05 -0.03 116.57 117.93 1yp1 h LYS 45 Ca 0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1yp1 h LYS 45 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1yp1 h LYS 45 CO 0.00 0.07 0.25 -1.35 -2.27 0.00 0.00 179.45 176.15 1yp1 h PRO 46 N 0.11 0.00 -0.29 1.90 0.11 -1.76 0.65 132.00 132.72 1yp1 h PRO 46 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1yp1 h PRO 46 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1yp1 h PRO 46 CO -0.55 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.52 1yp1 n LEU 47 N -3.78 2.44 -2.74 2.35 4.77 -0.04 -4.86 117.00 115.14 1yp1 n LEU 47 Ca 0.03 -1.07 -0.22 0.00 -0.03 0.00 0.00 56.01 54.72 1yp1 n LEU 47 Cb 0.38 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1yp1 n LEU 47 CO 0.27 0.53 -0.11 -0.11 -1.33 0.00 0.00 177.39 176.64 1yp1 n LEU 48 N 0.83 -2.38 -4.27 2.23 7.94 0.22 -4.17 117.00 117.40 1yp1 n LEU 48 Ca 0.17 -0.17 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 1yp1 n LEU 48 Cb 0.44 -2.96 -0.14 0.00 0.53 0.00 0.00 43.42 41.29 1yp1 n LEU 48 CO 0.14 0.04 -0.37 -0.22 -1.11 0.00 0.00 177.39 175.87 1yp1 s LEU 49 N -6.38 3.19 0.01 -1.96 0.20 -1.18 -1.57 118.68 111.01 1yp1 s LEU 49 Ca 0.17 -0.65 -0.24 0.00 0.69 0.00 0.00 54.13 54.11 1yp1 s LEU 49 Cb -0.08 -1.73 -0.05 0.00 -0.43 0.00 0.00 46.19 43.90 1yp1 s LEU 49 CO 0.22 -0.10 0.71 -0.22 -0.29 0.00 0.00 176.35 176.67 1yp1 s LEU 50 N 1.42 4.42 -0.20 -0.68 2.96 -0.17 -4.29 118.68 122.14 1yp1 s LEU 50 Ca 0.03 1.33 -0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1yp1 s LEU 50 Cb -0.16 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 1yp1 s LEU 50 CO -0.03 0.02 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.38 1yp1 s ILE 51 N 0.04 3.83 -0.04 6.68 1.01 -1.26 -0.24 121.20 131.22 1yp1 s ILE 51 Ca 0.36 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1yp1 s ILE 51 Cb -0.19 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1yp1 s ILE 51 CO 0.21 0.43 -0.20 0.28 0.00 0.00 0.00 174.94 175.66 1yp1 s THR 52 N 1.00 1.63 -0.17 2.92 -1.32 -0.28 -4.96 115.64 114.47 1yp1 s THR 52 Ca 0.01 -0.84 -0.24 0.00 -1.21 0.00 0.00 61.69 59.41 1yp1 s THR 52 Cb -0.14 -1.38 -0.02 0.00 -1.51 0.00 0.00 72.50 69.45 1yp1 s THR 52 CO 0.01 0.46 0.79 -0.76 -2.21 0.00 0.00 174.62 172.91 1yp1 s LEU 53 N -0.14 4.17 0.18 9.08 1.43 -1.26 -0.21 118.68 131.95 1yp1 s LEU 53 Ca -0.01 1.11 0.26 0.00 -1.03 0.00 0.00 54.13 54.46 1yp1 s LEU 53 Cb -0.11 -3.16 0.74 0.00 0.03 0.00 0.00 46.19 43.68 1yp1 s LEU 53 CO 0.02 -0.36 1.70 -1.54 0.23 0.00 0.00 176.35 176.39 1yp1 n SER 54 N 5.14 0.77 0.00 2.29 3.41 -0.02 -4.87 113.62 120.33 1yp1 n SER 54 Ca 0.03 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1yp1 n SER 54 Cb 0.49 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1yp1 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yp1 n GLY 55 N 1.32 1.82 2.80 5.00 0.00 -1.26 -5.00 105.19 109.88 1yp1 n GLY 55 Ca 0.05 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1yp1 n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yp1 s ILE 56 N -1.99 1.12 -0.21 -0.61 1.01 -1.26 -1.74 121.20 117.52 1yp1 s ILE 56 Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.02 1yp1 s ILE 56 Cb 0.00 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1yp1 s ILE 56 CO 0.00 -0.55 0.62 -0.70 0.00 0.00 0.00 174.94 174.31 1yp1 s GLU 57 N 1.51 4.18 -0.20 2.79 2.12 0.31 -4.95 118.70 124.46 1yp1 s GLU 57 Ca 0.07 0.58 -0.06 0.00 0.36 0.00 0.00 54.97 55.92 1yp1 s GLU 57 Cb -0.18 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 1yp1 s GLU 57 CO -0.19 -0.28 0.03 -1.64 -0.54 0.00 0.00 175.26 172.65 1yp1 s MET 58 N 2.05 3.76 -1.30 4.30 -1.94 -1.26 -0.12 119.30 124.79 1yp1 s MET 58 Ca 0.28 -0.45 -0.12 0.00 -1.71 0.00 0.00 55.69 53.69 1yp1 s MET 58 Cb -0.16 -3.16 0.14 0.00 2.01 0.00 0.00 34.83 33.66 1yp1 s MET 58 CO 0.10 0.09 1.83 0.91 -0.01 0.00 0.00 175.02 177.94 1yp1 n TRP 59 N 4.04 3.69 0.09 -0.03 8.01 0.10 -4.75 117.44 128.59 1yp1 n TRP 59 Ca -0.17 -2.96 -0.01 0.00 -1.31 0.00 0.00 57.50 53.05 1yp1 n TRP 59 Cb 0.52 -2.18 0.26 0.00 -2.01 0.00 0.00 31.31 27.89 1yp1 n TRP 59 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1yp1 h THR 60 N 4.17 1.28 0.00 -0.99 1.35 -1.91 -3.32 112.91 113.49 1yp1 h THR 60 Ca 0.41 -1.34 -0.38 0.00 -0.55 0.00 0.00 66.41 64.55 1yp1 h THR 60 Cb 0.71 1.55 -0.07 0.00 -1.73 0.00 0.00 68.15 68.61 1yp1 h THR 60 CO 1.57 0.40 -2.46 -1.20 -0.25 0.00 0.00 175.52 173.59 1yp1 n SER 61 N -4.09 1.78 -3.53 5.36 7.64 -1.26 -5.04 113.62 114.48 1yp1 n SER 61 Ca -0.01 -0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.61 1yp1 n SER 61 Cb 0.43 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 1yp1 n SER 61 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1yp1 s LYS 62 N -2.51 0.89 0.14 1.43 -2.85 -1.26 -5.11 119.74 110.47 1yp1 s LYS 62 Ca -0.32 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.45 1yp1 s LYS 62 Cb 0.09 0.42 -0.07 0.00 -2.06 0.00 0.00 37.83 36.20 1yp1 s LYS 62 CO 0.62 -0.30 1.16 -0.51 0.10 0.00 0.00 175.35 176.42 1yp1 s ASP 63 N -1.43 7.15 0.00 0.03 1.01 -1.26 -4.75 116.67 117.42 1yp1 s ASP 63 Ca -0.05 2.10 0.28 0.00 0.71 0.00 0.00 52.55 55.59 1yp1 s ASP 63 Cb -0.00 -2.60 1.07 0.00 1.01 0.00 0.00 42.92 42.41 1yp1 s ASP 63 CO 0.03 -0.36 1.76 0.18 0.21 0.00 0.00 175.17 177.00 1yp1 n LEU 64 N 2.98 0.76 -4.13 1.23 4.77 -1.26 -4.81 117.00 116.54 1yp1 n LEU 64 Ca 0.05 -0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 1yp1 n LEU 64 Cb 0.46 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1yp1 n LEU 64 CO 0.55 0.14 -0.24 0.27 -1.33 0.00 0.00 177.39 176.78 1yp1 s ILE 65 N -2.41 0.07 -0.34 -0.08 -4.36 -1.26 -5.06 121.20 107.76 1yp1 s ILE 65 Ca 0.29 -1.85 -0.21 0.00 -0.26 0.00 0.00 60.65 58.62 1yp1 s ILE 65 Cb 0.20 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.79 1yp1 s ILE 65 CO 0.47 -0.33 0.68 -0.89 0.24 0.00 0.00 174.94 175.10 1yp1 s THR 66 N -4.06 4.87 -0.56 8.37 2.01 -1.26 -5.00 115.64 120.00 1yp1 s THR 66 Ca 0.26 0.78 -0.24 0.00 0.31 0.00 0.00 61.69 62.80 1yp1 s THR 66 Cb 0.07 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1yp1 s THR 66 CO 0.04 -0.28 0.97 -0.69 -0.69 0.00 0.00 174.62 173.97 1yp1 s VAL 67 N 2.77 4.35 -0.02 3.82 1.01 -1.26 -4.88 120.40 126.19 1yp1 s VAL 67 Ca 0.27 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1yp1 s VAL 67 Cb -0.14 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1yp1 s VAL 67 CO 0.14 -1.15 0.17 -0.54 0.00 0.00 0.00 175.10 173.72 1yp1 s LYS 68 N 4.05 3.41 0.65 2.72 1.02 -1.26 -4.99 119.74 125.35 1yp1 s LYS 68 Ca 0.31 -0.31 0.37 0.00 0.02 0.00 0.00 55.97 56.36 1yp1 s LYS 68 Cb -0.12 -3.09 2.06 0.00 -0.52 0.00 0.00 37.83 36.16 1yp1 s LYS 68 CO 0.19 0.68 2.20 -1.35 -0.92 0.00 0.00 175.35 176.16 1yp1 h PRO 69 N 3.94 0.00 -6.24 -1.68 0.11 -1.95 -3.36 132.00 122.82 1yp1 h PRO 69 Ca -0.49 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.07 1yp1 h PRO 69 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1yp1 h PRO 69 CO 0.68 0.00 1.21 0.00 -0.21 0.00 0.00 178.00 179.67 1yp1 s ALA 70 N -4.24 2.67 0.22 -0.75 0.00 -1.26 -0.71 121.76 117.69 1yp1 s ALA 70 Ca -0.04 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.18 1yp1 s ALA 70 Cb 0.12 -4.36 0.29 0.00 0.00 0.00 0.00 23.12 19.17 1yp1 s ALA 70 CO 0.40 -3.47 1.63 0.78 0.00 0.00 0.00 175.76 175.09 1yp1 h GLY 71 N 13.28 0.54 0.23 0.00 0.00 -1.90 -1.16 103.07 114.06 1yp1 h GLY 71 Ca -0.11 0.19 0.11 0.00 0.00 0.00 0.00 47.33 47.52 1yp1 h GLY 71 CO 1.32 -0.26 0.16 -0.55 0.00 0.00 0.00 176.54 177.22 1yp1 h ASP 72 N 0.02 0.07 -0.41 0.19 3.32 -1.92 0.22 116.42 117.91 1yp1 h ASP 72 Ca 0.33 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 1yp1 h ASP 72 Cb 0.52 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1yp1 h ASP 72 CO -0.67 0.04 -0.03 -0.07 -1.72 0.00 0.00 179.24 176.79 1yp1 h LEU 73 N 0.30 0.74 -0.72 1.55 3.38 -1.65 -2.50 115.31 116.42 1yp1 h LEU 73 Ca 0.32 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1yp1 h LEU 73 Cb 0.46 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1yp1 h LEU 73 CO -0.38 0.90 0.19 0.74 0.09 0.00 0.00 178.44 179.97 1yp1 h THR 74 N 0.58 1.26 -0.44 0.22 2.02 -0.08 -1.24 112.91 115.24 1yp1 h THR 74 Ca 0.11 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1yp1 h THR 74 Cb 0.53 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1yp1 h THR 74 CO 0.03 0.37 0.18 0.25 0.37 0.00 0.00 175.52 176.72 1yp1 h LEU 75 N 1.09 0.60 -0.10 2.58 5.85 -0.56 0.11 115.31 124.89 1yp1 h LEU 75 Ca 0.23 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1yp1 h LEU 75 Cb 0.36 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1yp1 h LEU 75 CO 0.00 0.61 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.38 1yp1 h SER 76 N 0.56 -0.16 -0.52 1.25 0.87 -1.17 0.11 113.55 114.50 1yp1 h SER 76 Ca 0.15 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1yp1 h SER 76 Cb 0.19 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1yp1 h SER 76 CO -0.01 -0.07 0.30 -0.07 -0.53 0.00 0.00 176.83 176.45 1yp1 h LEU 77 N -0.04 0.63 -0.30 2.23 3.38 -1.06 -1.98 115.31 118.18 1yp1 h LEU 77 Ca 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1yp1 h LEU 77 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1yp1 h LEU 77 CO -0.12 0.53 0.09 0.15 0.09 0.00 0.00 178.44 179.18 1yp1 h PHE 78 N 0.69 0.49 -0.92 1.13 3.57 -0.51 -1.07 116.94 120.32 1yp1 h PHE 78 Ca 0.18 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1yp1 h PHE 78 Cb 0.02 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1yp1 h PHE 78 CO -0.02 0.51 0.60 0.00 -2.23 0.00 0.00 178.31 177.17 1yp1 h ALA 79 N 0.93 1.17 -0.30 2.41 0.00 -0.68 -1.00 119.26 121.79 1yp1 h ALA 79 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1yp1 h ALA 79 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1yp1 h ALA 79 CO -0.00 0.58 0.00 0.22 0.00 0.00 0.00 179.25 180.05 1yp1 h ASP 80 N 1.25 0.52 -0.72 0.00 3.58 -1.21 -1.68 116.42 118.16 1yp1 h ASP 80 Ca 0.34 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.51 1yp1 h ASP 80 Cb -0.13 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.74 1yp1 h ASP 80 CO -0.07 0.70 0.47 -0.25 -2.88 0.00 0.00 179.24 177.21 1yp1 h TRP 81 N 0.32 0.84 -0.26 0.28 7.01 -0.85 0.16 115.95 123.44 1yp1 h TRP 81 Ca 0.08 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1yp1 h TRP 81 Cb 0.43 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1yp1 h TRP 81 CO 0.04 0.49 0.07 -0.09 -2.79 0.00 0.00 178.44 176.15 1yp1 h ARG 82 N 0.87 0.41 0.57 2.65 2.43 -0.89 0.24 114.38 120.65 1yp1 h ARG 82 Ca 0.29 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1yp1 h ARG 82 Cb 0.07 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1yp1 h ARG 82 CO -0.08 0.50 -0.35 0.37 -1.51 0.00 0.00 179.97 178.90 1yp1 h GLN 83 N 0.25 -0.83 0.00 0.20 4.15 -0.33 0.06 115.11 118.60 1yp1 h GLN 83 Ca 0.08 0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.37 1yp1 h GLN 83 Cb 0.28 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1yp1 h GLN 83 CO 0.00 -0.56 -0.98 1.79 -1.93 0.00 0.00 178.83 177.16 1yp1 h THR 84 N -0.87 1.29 0.00 2.39 1.35 -0.75 -3.40 112.91 112.92 1yp1 h THR 84 Ca -0.07 -2.90 -0.06 0.00 -0.55 0.00 0.00 66.41 62.83 1yp1 h THR 84 Cb 0.70 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 1yp1 h THR 84 CO 0.07 0.73 -1.19 0.18 -0.25 0.00 0.00 175.52 175.06 1yp1 n LEU 85 N -3.24 0.27 -0.03 3.87 4.77 0.74 -4.73 117.00 118.64 1yp1 n LEU 85 Ca -0.02 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 1yp1 n LEU 85 Cb 0.89 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1yp1 n LEU 85 CO 0.45 0.07 0.79 0.25 -1.33 0.00 0.00 177.39 177.61 1yp1 h LEU 86 N -0.13 0.16 -2.58 2.23 5.85 -1.13 -3.04 115.31 116.67 1yp1 h LEU 86 Ca -0.09 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1yp1 h LEU 86 Cb 1.07 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1yp1 h LEU 86 CO -0.06 0.35 0.00 -0.07 -0.34 0.00 0.00 178.44 178.32 1yp1 h LEU 87 N -0.03 0.00 -0.93 2.25 3.38 -1.14 0.11 115.31 118.95 1yp1 h LEU 87 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yp1 h LEU 87 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1yp1 h LEU 87 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 178.44 178.81 1yp1 h SER 88 N 0.00 0.00 0.00 -0.43 0.02 -1.81 -3.36 113.55 107.98 1yp1 h SER 88 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1yp1 h SER 88 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1yp1 h SER 88 CO 0.00 0.00 -1.49 0.54 -1.14 0.00 0.00 176.83 174.74 1yp1 n ARG 89 N -3.08 0.22 -3.93 3.45 1.74 -0.01 -4.98 116.66 110.06 1yp1 n ARG 89 Ca 0.02 0.05 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 1yp1 n ARG 89 Cb 0.39 -1.17 -0.15 0.00 -1.02 0.00 0.00 32.46 30.50 1yp1 n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1yp1 s ILE 90 N -2.17 1.55 0.21 0.55 1.01 0.18 -5.09 121.20 117.43 1yp1 s ILE 90 Ca -0.12 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 1yp1 s ILE 90 Cb 0.03 -1.86 -0.08 0.00 0.01 0.00 0.00 42.46 40.55 1yp1 s ILE 90 CO 0.20 -0.18 1.20 -0.22 0.00 0.00 0.00 174.94 175.95 1yp1 s LEU 91 N 1.37 4.46 0.06 2.97 2.96 -1.26 -4.16 118.68 125.08 1yp1 s LEU 91 Ca -0.04 2.28 -0.26 0.00 -0.22 0.00 0.00 54.13 55.89 1yp1 s LEU 91 Cb -0.19 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 42.97 1yp1 s LEU 91 CO -0.08 -0.37 0.70 0.54 -1.32 0.00 0.00 176.35 175.82 1yp1 s ASN 92 N -0.00 -0.54 0.17 3.68 2.20 -1.26 -4.98 114.94 114.21 1yp1 s ASN 92 Ca 0.52 0.19 0.23 0.00 -0.94 0.00 0.00 52.86 52.86 1yp1 s ASN 92 Cb -0.33 0.53 0.13 0.00 -2.00 0.00 0.00 41.25 39.57 1yp1 s ASN 92 CO 0.38 -0.78 1.15 0.44 -2.94 0.00 0.00 177.10 175.35 1yp1 h ASP 93 N 2.26 0.00 -3.64 3.54 3.32 -1.15 -3.48 116.42 117.28 1yp1 h ASP 93 Ca -0.29 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 56.73 1yp1 h ASP 93 Cb 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 1yp1 h ASP 93 CO 0.36 0.05 0.51 0.21 -1.72 0.00 0.00 179.24 178.65 1yp1 s ASN 94 N -4.88 -0.40 0.05 6.45 2.47 -1.17 -3.24 114.94 114.22 1yp1 s ASN 94 Ca 0.02 0.62 0.07 0.00 0.42 0.00 0.00 52.86 53.99 1yp1 s ASN 94 Cb 0.11 0.58 -0.03 0.00 -1.45 0.00 0.00 41.25 40.46 1yp1 s ASN 94 CO 0.77 -0.24 -0.19 0.00 -3.72 0.00 0.00 177.10 173.71 1yp1 s ALA 95 N -0.44 1.62 -0.12 1.71 0.00 -1.14 -0.78 121.76 122.61 1yp1 s ALA 95 Ca 0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1yp1 s ALA 95 Cb -0.03 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1yp1 s ALA 95 CO -0.02 0.35 -0.05 -1.14 0.00 0.00 0.00 175.76 174.90 1yp1 s GLN 96 N -1.28 1.23 0.15 0.00 0.74 0.11 -2.20 119.66 118.41 1yp1 s GLN 96 Ca 0.06 -0.23 -0.30 0.00 0.05 0.00 0.00 55.36 54.94 1yp1 s GLN 96 Cb -0.09 -1.55 -0.07 0.00 1.10 0.00 0.00 33.01 32.40 1yp1 s GLN 96 CO 0.02 -0.33 1.00 -1.17 -0.55 0.00 0.00 175.29 174.26 1yp1 s LEU 97 N 1.77 4.52 -0.19 3.68 2.96 -0.39 -1.95 118.68 129.07 1yp1 s LEU 97 Ca 0.04 1.91 -0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1yp1 s LEU 97 Cb -0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1yp1 s LEU 97 CO -0.07 -0.07 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.65 1yp1 s GLN 98 N -0.30 3.17 0.04 1.98 -1.52 0.14 0.36 119.66 123.53 1yp1 s GLN 98 Ca 0.47 -0.74 0.01 0.00 -1.95 0.00 0.00 55.36 53.15 1yp1 s GLN 98 Cb -0.25 -2.75 -0.02 0.00 -0.22 0.00 0.00 33.01 29.77 1yp1 s GLN 98 CO 0.32 -0.17 -0.06 -0.08 -0.25 0.00 0.00 175.29 175.05 1yp1 s THR 99 N 1.29 0.37 -2.37 -0.19 -1.32 -0.32 -2.05 115.64 111.05 1yp1 s THR 99 Ca 0.04 -1.07 0.22 0.00 -1.21 0.00 0.00 61.69 59.67 1yp1 s THR 99 Cb -0.14 -0.54 0.45 0.00 -1.51 0.00 0.00 72.50 70.76 1yp1 s THR 99 CO -0.07 -0.47 1.53 0.00 -2.21 0.00 0.00 174.62 173.40 1yp1 n ALA 100 N 1.41 2.51 -2.16 11.08 0.00 -1.26 -1.19 120.51 130.90 1yp1 n ALA 100 Ca -0.23 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 1yp1 n ALA 100 Cb 0.55 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1yp1 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yp1 s VAL 101 N -1.78 3.50 -0.57 0.00 1.01 -1.26 -4.91 120.40 116.39 1yp1 s VAL 101 Ca 0.34 0.95 -0.25 0.00 0.00 0.00 0.00 61.98 63.02 1yp1 s VAL 101 Cb 0.19 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1yp1 s VAL 101 CO 0.28 0.02 1.02 -0.62 0.00 0.00 0.00 175.10 175.80 1yp1 s ASP 102 N 1.77 6.36 0.70 3.32 2.15 -1.26 -4.83 116.67 124.87 1yp1 s ASP 102 Ca 0.66 -0.24 -0.16 0.00 0.43 0.00 0.00 52.55 53.23 1yp1 s ASP 102 Cb -0.34 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 39.82 1yp1 s ASP 102 CO 0.28 -1.32 1.24 -0.36 -0.17 0.00 0.00 175.17 174.84 1yp1 s PHE 103 N 4.29 2.07 0.41 -5.34 2.99 -1.26 -4.73 117.98 116.40 1yp1 s PHE 103 Ca 0.34 1.56 -0.25 0.00 0.00 0.00 0.00 56.93 58.58 1yp1 s PHE 103 Cb -0.11 -3.55 -0.08 0.00 0.00 0.00 0.00 43.02 39.28 1yp1 s PHE 103 CO 0.21 -2.70 1.19 1.03 -0.00 0.00 0.00 175.22 174.94 1yp1 s ARG 104 N -3.69 4.01 1.95 0.44 0.52 0.11 -4.73 118.95 117.55 1yp1 s ARG 104 Ca 0.77 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.86 1yp1 s ARG 104 Cb -0.32 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1yp1 s ARG 104 CO 0.43 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1yp1 n GLY 105 N 0.62 -1.51 1.16 -3.53 0.00 -1.26 -4.07 105.19 96.60 1yp1 n GLY 105 Ca 0.04 -1.33 0.11 0.00 0.00 0.00 0.00 46.02 44.85 1yp1 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yp1 n ALA 106 N 1.95 2.41 -2.10 4.61 0.00 -1.26 -4.94 120.51 121.18 1yp1 n ALA 106 Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 53.44 51.95 1yp1 n ALA 106 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1yp1 n ALA 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yp1 s VAL 107 N -1.28 3.35 0.00 0.00 1.01 -1.26 -4.88 120.40 117.34 1yp1 s VAL 107 Ca 0.42 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1yp1 s VAL 107 Cb 0.23 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1yp1 s VAL 107 CO 0.30 0.01 0.70 1.33 0.00 0.00 0.00 175.10 177.45 1yp1 n VAL 108 N 4.51 0.43 -3.56 2.92 0.24 -1.26 -4.47 118.33 117.14 1yp1 n VAL 108 Ca 0.14 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.34 61.64 1yp1 n VAL 108 Cb 0.42 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 1yp1 n VAL 108 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1yp1 s GLY 109 N -0.43 -0.32 -0.07 7.63 0.00 -1.26 -0.85 107.32 112.03 1yp1 s GLY 109 Ca 0.00 1.78 -0.19 0.00 0.00 0.00 0.00 44.72 46.31 1yp1 s GLY 109 CO 0.00 0.86 0.45 -2.27 0.00 0.00 0.00 173.10 172.13 1yp1 s LEU 110 N -1.46 0.30 0.16 0.66 2.96 -0.48 -4.98 118.68 115.85 1yp1 s LEU 110 Ca 0.00 0.47 -0.21 0.00 -0.22 0.00 0.00 54.13 54.17 1yp1 s LEU 110 Cb -0.01 1.68 0.06 0.00 0.50 0.00 0.00 46.19 48.42 1yp1 s LEU 110 CO -0.01 -0.41 0.56 0.00 -1.32 0.00 0.00 176.35 175.17 1yp1 s ALA 111 N -0.88 -1.42 0.20 5.97 0.00 -1.26 0.43 121.76 124.80 1yp1 s ALA 111 Ca -0.09 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 1yp1 s ALA 111 Cb -0.03 0.85 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 1yp1 s ALA 111 CO 0.05 -0.76 0.59 -0.06 0.00 0.00 0.00 175.76 175.58 1yp1 s PHE 112 N -3.77 3.53 -0.05 0.00 0.40 -1.23 -4.95 117.98 111.92 1yp1 s PHE 112 Ca 0.02 1.07 -0.20 0.00 -0.60 0.00 0.00 56.93 57.22 1yp1 s PHE 112 Cb -0.01 -2.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.09 1yp1 s PHE 112 CO -0.11 0.33 0.57 0.08 0.70 0.00 0.00 175.22 176.79 1yp1 s VAL 113 N -1.63 5.01 -1.42 -0.44 1.01 -1.26 -3.35 120.40 118.32 1yp1 s VAL 113 Ca 0.43 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 1yp1 s VAL 113 Cb -0.14 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1yp1 s VAL 113 CO 0.20 0.38 0.36 0.61 0.00 0.00 0.00 175.10 176.64 1yp1 n GLY 114 N 2.74 -0.37 0.68 4.51 0.00 0.10 -4.88 105.19 107.98 1yp1 n GLY 114 Ca -0.06 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1yp1 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yp1 n THR 115 N -4.25 0.55 -1.58 2.61 -2.24 -0.73 -4.84 114.28 103.81 1yp1 n THR 115 Ca -0.14 -0.78 -0.52 0.00 -2.27 0.00 0.00 64.05 60.35 1yp1 n THR 115 Cb 0.62 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 1yp1 n THR 115 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1yp1 n MET 116 N 0.77 1.10 0.00 -0.78 1.56 -0.46 -0.76 117.12 118.54 1yp1 n MET 116 Ca 0.12 0.40 0.00 0.00 -0.27 0.00 0.00 57.70 57.94 1yp1 n MET 116 Cb 0.41 -2.02 0.00 0.00 2.15 0.00 0.00 33.22 33.77 1yp1 n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1yp1 s ASN 118 N -0.70 6.55 0.52 0.00 3.84 0.06 -4.90 114.94 120.31 1yp1 s ASN 118 Ca 0.00 2.51 0.24 0.00 0.21 0.00 0.00 52.86 55.82 1yp1 s ASN 118 Cb 0.00 -2.54 1.37 0.00 -0.55 0.00 0.00 41.25 39.53 1yp1 s ASN 118 CO 0.00 -0.97 2.00 0.00 -2.79 0.00 0.00 177.10 175.34 1yp1 h ALA 119 N 9.44 2.46 0.00 1.71 0.00 -1.96 -1.51 119.26 129.40 1yp1 h ALA 119 Ca -0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1yp1 h ALA 119 Cb 1.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1yp1 h ALA 119 CO 0.94 -0.61 -1.92 0.36 0.00 0.00 0.00 179.25 178.03 1yp1 n LYS 120 N -4.39 0.69 0.00 0.00 2.85 -1.26 -3.96 118.16 112.08 1yp1 n LYS 120 Ca 0.09 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1yp1 n LYS 120 Cb 0.58 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 1yp1 n LYS 120 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1yp1 n TYR 121 N -2.25 0.00 -2.42 5.58 4.02 -1.12 -4.35 117.16 116.62 1yp1 n TYR 121 Ca -0.08 -0.26 -0.43 0.00 -0.01 0.00 0.00 57.90 57.12 1yp1 n TYR 121 Cb 0.60 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 1yp1 n TYR 121 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1yp1 n SER 122 N -0.26 4.74 -3.86 7.72 2.88 -0.58 -4.55 113.62 119.71 1yp1 n SER 122 Ca 0.00 -2.91 -0.10 0.00 -1.33 0.00 0.00 58.87 54.54 1yp1 n SER 122 Cb 0.24 -1.72 -0.06 0.00 -0.75 0.00 0.00 64.21 61.92 1yp1 n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yp1 s ALA 123 N 3.91 -0.37 0.18 -1.46 0.00 -1.26 -2.91 121.76 119.85 1yp1 s ALA 123 Ca 0.52 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1yp1 s ALA 123 Cb 0.06 0.80 0.05 0.00 0.00 0.00 0.00 23.12 24.03 1yp1 s ALA 123 CO 0.04 -0.68 0.57 0.20 0.00 0.00 0.00 175.76 175.90 1yp1 s GLY 124 N -2.91 -0.36 0.05 0.00 0.00 -0.94 -3.49 107.32 99.67 1yp1 s GLY 124 Ca 0.12 0.12 0.04 0.00 0.00 0.00 0.00 44.72 45.00 1yp1 s GLY 124 CO -0.03 -0.05 -0.12 -0.26 0.00 0.00 0.00 173.10 172.65 1yp1 s ILE 125 N -3.81 0.88 -0.03 0.90 -4.36 0.17 -1.26 121.20 113.69 1yp1 s ILE 125 Ca 0.05 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1yp1 s ILE 125 Cb -0.01 -0.87 0.03 0.00 1.25 0.00 0.00 42.46 42.86 1yp1 s ILE 125 CO -0.07 -0.22 0.01 -0.63 0.24 0.00 0.00 174.94 174.27 1yp1 s ILE 126 N -1.17 0.09 -0.07 8.37 -1.09 0.16 -1.38 121.20 126.12 1yp1 s ILE 126 Ca -0.04 0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.34 1yp1 s ILE 126 Cb -0.09 -0.22 -0.05 0.00 -1.58 0.00 0.00 42.46 40.52 1yp1 s ILE 126 CO 0.01 0.14 0.53 -1.58 -1.23 0.00 0.00 174.94 172.81 1yp1 s GLN 127 N 1.16 4.30 -1.15 2.79 0.74 -0.03 -1.17 119.66 126.30 1yp1 s GLN 127 Ca -0.08 0.58 -0.18 0.00 0.05 0.00 0.00 55.36 55.73 1yp1 s GLN 127 Cb -0.13 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1yp1 s GLN 127 CO -0.02 0.27 2.08 -3.47 -0.55 0.00 0.00 175.29 173.59 1yp1 n ASP 128 N 3.21 3.31 -0.04 6.67 2.03 -0.33 -4.72 116.55 126.68 1yp1 n ASP 128 Ca -0.07 -2.77 0.13 0.00 0.52 0.00 0.00 54.79 52.60 1yp1 n ASP 128 Cb 0.51 -1.43 0.35 0.00 -0.72 0.00 0.00 41.12 39.84 1yp1 n ASP 128 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1yp1 n PHE 129 N 6.98 0.00 -3.89 -0.67 1.16 -1.26 -4.89 117.46 114.89 1yp1 n PHE 129 Ca 0.51 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.98 1yp1 n PHE 129 Cb 0.40 -0.27 -0.10 0.00 -1.61 0.00 0.00 39.48 37.90 1yp1 n PHE 129 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1yp1 s SER 130 N -2.90 0.05 0.00 5.98 0.15 -1.26 -5.03 113.70 110.69 1yp1 s SER 130 Ca 0.14 -0.24 0.26 0.00 0.70 0.00 0.00 55.95 56.81 1yp1 s SER 130 Cb 0.18 0.19 0.65 0.00 -1.71 0.00 0.00 66.02 65.33 1yp1 s SER 130 CO 0.63 -0.35 1.50 0.00 1.20 0.00 0.00 173.24 176.22 1yp1 n ALA 131 N 1.51 3.28 -2.67 5.45 0.00 -1.26 -4.78 120.51 122.04 1yp1 n ALA 131 Ca -0.23 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 1yp1 n ALA 131 Cb 0.55 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1yp1 n ALA 131 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yp1 s ILE 132 N -2.71 4.73 0.21 0.00 -1.09 -1.26 -4.94 121.20 116.13 1yp1 s ILE 132 Ca 0.19 2.02 -0.11 0.00 -2.23 0.00 0.00 60.65 60.52 1yp1 s ILE 132 Cb 0.18 -4.31 0.18 0.00 -1.58 0.00 0.00 42.46 36.93 1yp1 s ILE 132 CO 0.60 -0.10 1.67 -0.65 -1.23 0.00 0.00 174.94 175.23 1yp1 h PRO 133 N 7.31 0.13 -0.51 2.79 0.11 -1.96 -2.30 132.00 137.57 1yp1 h PRO 133 Ca -0.24 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.90 1yp1 h PRO 133 Cb 1.10 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1yp1 h PRO 133 CO 0.93 0.09 0.27 1.25 -0.21 0.00 0.00 178.00 180.33 1yp1 h LEU 134 N 0.14 0.41 -1.04 2.35 5.85 -1.93 -0.38 115.31 120.71 1yp1 h LEU 134 Ca 0.30 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 1yp1 h LEU 134 Cb 0.48 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1yp1 h LEU 134 CO -0.48 0.28 0.15 -0.07 -0.34 0.00 0.00 178.44 177.98 1yp1 h LEU 135 N 0.54 0.78 -0.30 2.25 3.38 -1.84 -0.83 115.31 119.29 1yp1 h LEU 135 Ca 0.22 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1yp1 h LEU 135 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1yp1 h LEU 135 CO -0.14 0.75 -0.86 0.24 0.09 0.00 0.00 178.44 178.53 1yp1 h MET 136 N 0.81 0.26 -0.57 1.13 2.86 -0.93 -2.29 114.93 116.21 1yp1 h MET 136 Ca 0.18 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 57.45 1yp1 h MET 136 Cb 0.27 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1yp1 h MET 136 CO -0.00 0.97 -0.07 0.00 1.06 0.00 0.00 176.91 178.86 1yp1 h ALA 137 N 0.94 0.78 -0.64 6.32 0.00 -0.72 -0.18 119.26 125.75 1yp1 h ALA 137 Ca -0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1yp1 h ALA 137 Cb 1.47 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1yp1 h ALA 137 CO 0.14 0.67 0.13 0.28 0.00 0.00 0.00 179.25 180.46 1yp1 h VAL 138 N 0.94 1.25 -0.41 0.00 2.07 -1.13 0.22 116.25 119.20 1yp1 h VAL 138 Ca 0.15 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1yp1 h VAL 138 Cb 0.64 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1yp1 h VAL 138 CO 0.04 0.36 0.10 0.58 0.02 0.00 0.00 177.57 178.68 1yp1 h VAL 139 N 0.97 1.23 -0.58 2.57 2.07 -1.03 0.69 116.25 122.17 1yp1 h VAL 139 Ca 0.20 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1yp1 h VAL 139 Cb 0.38 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1yp1 h VAL 139 CO 0.01 0.27 0.13 0.24 0.02 0.00 0.00 177.57 178.24 1yp1 h MET 140 N 0.52 0.94 -0.08 1.57 2.86 -0.76 -2.70 114.93 117.28 1yp1 h MET 140 Ca 0.13 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 1yp1 h MET 140 Cb 0.31 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1yp1 h MET 140 CO 0.00 0.87 -0.38 0.00 1.06 0.00 0.00 176.91 178.46 1yp1 h ALA 141 N 1.03 1.22 -0.32 6.32 0.00 -0.31 -1.63 119.26 125.56 1yp1 h ALA 141 Ca 0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1yp1 h ALA 141 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yp1 h ALA 141 CO 0.00 0.54 0.04 1.25 0.00 0.00 0.00 179.25 181.09 1yp1 h HIS 142 N 0.14 0.58 -0.50 0.00 6.17 -0.67 0.23 115.15 121.11 1yp1 h HIS 142 Ca 0.01 -0.08 -0.08 0.00 0.71 0.00 0.00 60.37 60.93 1yp1 h HIS 142 Cb 0.74 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 1yp1 h HIS 142 CO 0.01 0.63 0.01 0.93 0.71 0.00 0.00 177.93 180.21 1yp1 h GLU 143 N 0.36 0.87 -0.22 5.26 4.39 -1.33 -1.67 114.58 122.24 1yp1 h GLU 143 Ca 0.10 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 1yp1 h GLU 143 Cb 0.37 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1yp1 h GLU 143 CO 0.01 0.90 -0.20 1.25 -1.16 0.00 0.00 179.01 179.81 1yp1 h LEU 144 N 0.74 0.38 -0.72 1.33 5.85 -1.18 -2.13 115.31 119.58 1yp1 h LEU 144 Ca 0.14 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1yp1 h LEU 144 Cb 0.50 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1yp1 h LEU 144 CO 0.02 0.60 0.26 1.23 -0.34 0.00 0.00 178.44 180.22 1yp1 h GLY 145 N 0.95 1.17 1.01 3.75 0.00 -0.16 -0.28 103.07 109.52 1yp1 h GLY 145 Ca 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1yp1 h GLY 145 CO 0.04 0.62 0.40 0.45 0.00 0.00 0.00 176.54 178.04 1yp1 h HIS 146 N 1.04 1.03 -0.40 5.60 3.86 -0.91 -0.35 115.15 125.01 1yp1 h HIS 146 Ca 0.24 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1yp1 h HIS 146 Cb 0.24 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1yp1 h HIS 146 CO 0.02 0.73 0.27 -0.91 0.86 0.00 0.00 177.93 178.90 1yp1 h ASN 147 N 1.03 0.35 -0.23 2.45 -0.26 -0.76 0.33 115.58 118.49 1yp1 h ASN 147 Ca 0.26 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1yp1 h ASN 147 Cb 0.05 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1yp1 h ASN 147 CO -0.04 0.24 0.00 0.18 -1.06 0.00 0.00 177.43 176.75 1yp1 n LEU 148 N -4.48 2.86 0.00 1.61 4.77 -0.17 -1.35 117.00 120.23 1yp1 n LEU 148 Ca 0.04 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1yp1 n LEU 148 Cb 0.17 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1yp1 n LEU 148 CO 0.35 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1yp1 n GLY 149 N 0.27 0.57 3.76 -0.72 0.00 -0.54 -4.58 105.19 103.95 1yp1 n GLY 149 Ca 0.11 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1yp1 n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yp1 s MET 150 N -0.55 4.36 0.58 1.61 -1.94 -0.26 -4.64 119.30 118.46 1yp1 s MET 150 Ca 0.00 0.80 0.07 0.00 -1.71 0.00 0.00 55.69 54.85 1yp1 s MET 150 Cb 0.00 -3.35 0.08 0.00 2.01 0.00 0.00 34.83 33.57 1yp1 s MET 150 CO 0.00 0.33 0.81 -0.51 -0.01 0.00 0.00 175.02 175.64 1yp1 s LEU 151 N -0.10 3.15 0.58 -0.03 1.43 -1.26 -4.19 118.68 118.25 1yp1 s LEU 151 Ca 0.33 -0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 1yp1 s LEU 151 Cb -0.19 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1yp1 s LEU 151 CO 0.18 -1.37 1.11 -1.00 0.23 0.00 0.00 176.35 175.50 1yp1 s HIS 152 N -2.73 2.71 0.24 0.29 3.76 -1.26 -4.88 115.29 113.43 1yp1 s HIS 152 Ca 0.62 1.55 -0.30 0.00 -0.15 0.00 0.00 55.06 56.78 1yp1 s HIS 152 Cb -0.06 -3.21 -0.09 0.00 1.11 0.00 0.00 32.58 30.33 1yp1 s HIS 152 CO 0.39 -1.51 1.12 -0.51 -0.85 0.00 0.00 174.74 173.39 1yp1 s ASP 153 N -2.14 7.22 -0.63 1.40 1.01 -0.08 -4.96 116.67 118.51 1yp1 s ASP 153 Ca 0.70 2.24 -0.23 0.00 0.71 0.00 0.00 52.55 55.96 1yp1 s ASP 153 Cb -0.21 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.15 1yp1 s ASP 153 CO 0.32 -0.21 0.98 -0.62 0.21 0.00 0.00 175.17 175.84 1yp1 s ASP 154 N -0.52 6.23 0.58 0.27 -1.08 -1.26 -4.62 116.67 116.27 1yp1 s ASP 154 Ca 0.47 -0.73 0.30 0.00 -0.52 0.00 0.00 52.55 52.07 1yp1 s ASP 154 Cb -0.32 -2.43 1.41 0.00 -1.46 0.00 0.00 42.92 40.12 1yp1 s ASP 154 CO 0.39 -1.39 1.80 1.23 0.52 0.00 0.00 175.17 177.72 1yp1 h GLY 155 N 11.34 0.00 0.25 2.66 0.00 -1.91 -0.08 103.07 115.33 1yp1 h GLY 155 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 1yp1 h GLY 155 CO 1.15 0.00 -1.52 -1.82 0.00 0.00 0.00 176.54 174.36 1yp1 h TYR 156 N 0.00 0.20 -0.21 5.60 3.20 -1.90 -3.42 116.97 120.44 1yp1 h TYR 156 Ca 0.32 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 1yp1 h TYR 156 Cb 1.63 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1yp1 h TYR 156 CO 0.00 1.60 -0.56 0.77 -1.64 0.00 0.00 178.16 178.33 1yp1 h SER 157 N -0.58 0.86 -4.34 -2.11 0.02 -1.86 -3.46 113.55 102.07 1yp1 h SER 157 Ca -0.37 -0.57 -0.51 0.00 -0.84 0.00 0.00 61.79 59.49 1yp1 h SER 157 Cb 1.59 -0.25 0.09 0.00 0.14 0.00 0.00 62.40 63.97 1yp1 h SER 157 CO -0.09 1.28 0.38 0.00 -1.14 0.00 0.00 176.83 177.26 1yp1 n ASP 159 N -3.07 0.57 -3.68 0.00 5.75 -1.26 -4.75 116.55 110.11 1yp1 n ASP 159 Ca 0.07 -1.72 -0.12 0.00 -0.01 0.00 0.00 54.79 53.02 1yp1 n ASP 159 Cb 0.54 -0.28 -0.09 0.00 -1.03 0.00 0.00 41.12 40.26 1yp1 n ASP 159 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yp1 n ASP 161 N 3.26 2.44 -0.39 0.00 5.68 -1.26 -4.56 116.55 121.72 1yp1 n ASP 161 Ca -0.16 -2.14 0.04 0.00 -0.50 0.00 0.00 54.79 52.03 1yp1 n ASP 161 Cb 0.56 -0.14 0.06 0.00 -1.14 0.00 0.00 41.12 40.46 1yp1 n ASP 161 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1yp1 n VAL 162 N -0.22 0.74 -2.20 2.12 0.24 -1.26 -5.01 118.33 112.74 1yp1 n VAL 162 Ca 0.06 -0.95 -0.26 0.00 -2.04 0.00 0.00 64.34 61.16 1yp1 n VAL 162 Cb 0.37 0.23 0.07 0.00 -1.47 0.00 0.00 33.84 33.04 1yp1 n VAL 162 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yp1 h ILE 164 N -0.59 0.25 -0.17 0.00 1.08 -1.45 -2.10 117.51 114.53 1yp1 h ILE 164 Ca -0.44 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1yp1 h ILE 164 Cb 1.31 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1yp1 h ILE 164 CO 0.61 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 178.30 1yp1 n MET 165 N -5.48 2.16 -1.92 2.37 2.81 -1.26 -4.66 117.12 111.15 1yp1 n MET 165 Ca 0.09 -0.94 -0.41 0.00 -1.81 0.00 0.00 57.70 54.63 1yp1 n MET 165 Cb 0.37 -1.73 -0.01 0.00 -0.71 0.00 0.00 33.22 31.14 1yp1 n MET 165 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1yp1 s ALA 166 N -1.52 3.57 0.40 3.04 0.00 -0.79 -0.90 121.76 125.55 1yp1 s ALA 166 Ca 0.16 1.46 0.15 0.00 0.00 0.00 0.00 51.96 53.73 1yp1 s ALA 166 Cb 0.12 -3.57 1.01 0.00 0.00 0.00 0.00 23.12 20.68 1yp1 s ALA 166 CO 0.05 -0.90 1.86 -1.35 0.00 0.00 0.00 175.76 175.42 1yp1 h PRO 167 N 3.44 0.47 -6.56 0.00 0.11 -1.90 -3.40 132.00 124.16 1yp1 h PRO 167 Ca -0.50 -0.03 -0.68 0.00 0.11 0.00 0.00 66.00 64.91 1yp1 h PRO 167 Cb 1.23 -0.11 -0.28 0.00 0.11 0.00 0.00 31.00 31.95 1yp1 h PRO 167 CO 0.67 0.31 -0.88 -1.12 -0.21 0.00 0.00 178.00 176.77 1yp1 s SER 168 N -5.67 2.99 0.10 -2.05 0.01 -1.26 -5.09 113.70 102.72 1yp1 s SER 168 Ca -0.09 -0.52 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 1yp1 s SER 168 Cb 0.23 -0.30 -0.08 0.00 0.21 0.00 0.00 66.02 66.08 1yp1 s SER 168 CO 0.78 0.27 1.51 -0.22 0.41 0.00 0.00 173.24 176.00 1yp1 s LEU 169 N -0.92 4.36 0.59 2.44 2.96 -1.26 -4.98 118.68 121.88 1yp1 s LEU 169 Ca 0.10 2.41 -0.17 0.00 -0.22 0.00 0.00 54.13 56.25 1yp1 s LEU 169 Cb -0.10 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1yp1 s LEU 169 CO 0.01 -0.77 1.10 -0.55 -1.32 0.00 0.00 176.35 174.81 1yp1 s SER 170 N 1.61 5.55 0.33 3.68 0.15 -1.26 -4.93 113.70 118.83 1yp1 s SER 170 Ca 0.68 2.01 0.04 0.00 0.70 0.00 0.00 55.95 59.39 1yp1 s SER 170 Cb -0.39 -2.56 0.60 0.00 -1.71 0.00 0.00 66.02 61.96 1yp1 s SER 170 CO 0.30 -1.33 1.89 0.77 1.20 0.00 0.00 173.24 176.07 1yp1 h SER 171 N 0.62 0.54 -2.59 5.45 4.64 -2.00 -3.34 113.55 116.87 1yp1 h SER 171 Ca -0.48 -0.09 -0.59 0.00 -0.47 0.00 0.00 61.79 60.16 1yp1 h SER 171 Cb 1.24 -0.14 -0.39 0.00 -0.31 0.00 0.00 62.40 62.80 1yp1 h SER 171 CO 0.56 0.57 -0.88 -1.81 -0.87 0.00 0.00 176.83 174.40 1yp1 s ASP 172 N -6.70 2.31 0.63 4.97 1.11 -1.26 -5.07 116.67 112.67 1yp1 s ASP 172 Ca -0.08 -3.00 -0.14 0.00 0.18 0.00 0.00 52.55 49.51 1yp1 s ASP 172 Cb 0.16 -0.64 -0.02 0.00 1.07 0.00 0.00 42.92 43.49 1yp1 s ASP 172 CO 0.77 -0.19 1.06 -2.16 1.18 0.00 0.00 175.17 175.83 1yp1 s PRO 173 N 0.03 3.14 0.29 8.23 0.04 -1.26 -5.06 135.00 140.41 1yp1 s PRO 173 Ca 0.28 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1yp1 s PRO 173 Cb -0.04 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1yp1 s PRO 173 CO -0.15 -0.95 0.45 -0.08 0.04 0.00 0.00 177.00 176.32 1yp1 s THR 174 N -2.65 5.18 -1.82 1.26 -1.32 -0.77 -4.98 115.64 110.54 1yp1 s THR 174 Ca 0.62 -0.67 0.28 0.00 -1.21 0.00 0.00 61.69 60.70 1yp1 s THR 174 Cb -0.16 -3.85 0.41 0.00 -1.51 0.00 0.00 72.50 67.40 1yp1 s THR 174 CO 0.43 -0.42 1.74 0.29 -2.21 0.00 0.00 174.62 174.46 1yp1 n LYS 175 N -1.50 0.89 -2.72 7.08 5.02 -1.26 -4.34 118.16 121.33 1yp1 n LYS 175 Ca -0.07 -0.42 -0.34 0.00 -2.02 0.00 0.00 58.31 55.46 1yp1 n LYS 175 Cb 0.56 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 1yp1 n LYS 175 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yp1 s VAL 176 N -2.40 4.15 -0.05 -0.18 1.01 -1.26 -4.61 120.40 117.06 1yp1 s VAL 176 Ca 0.29 1.43 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1yp1 s VAL 176 Cb 0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1yp1 s VAL 176 CO 0.47 -0.20 0.10 -0.36 0.00 0.00 0.00 175.10 175.11 1yp1 s PHE 177 N -2.00 3.40 0.91 5.22 0.08 -1.26 -1.46 117.98 122.87 1yp1 s PHE 177 Ca 0.61 0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.86 1yp1 s PHE 177 Cb -0.13 -1.82 0.14 0.00 -0.57 0.00 0.00 43.02 40.63 1yp1 s PHE 177 CO 0.18 0.61 1.13 -1.54 -0.10 0.00 0.00 175.22 175.49 1yp1 s SER 178 N -1.44 3.52 0.30 1.36 1.04 -1.26 -4.88 113.70 112.34 1yp1 s SER 178 Ca 0.20 1.02 -0.01 0.00 0.48 0.00 0.00 55.95 57.64 1yp1 s SER 178 Cb -0.12 -1.62 0.46 0.00 0.10 0.00 0.00 66.02 64.83 1yp1 s SER 178 CO 0.10 -2.55 1.94 -0.55 0.98 0.00 0.00 173.24 173.16 1yp1 h ASN 179 N -1.50 0.88 -0.70 7.02 7.08 -1.95 -2.23 115.58 124.18 1yp1 h ASN 179 Ca -0.51 -0.06 0.01 0.00 -3.08 0.00 0.00 56.30 52.67 1yp1 h ASN 179 Cb 1.33 -0.22 -0.04 0.00 -2.08 0.00 0.00 38.32 37.31 1yp1 h ASN 179 CO 0.61 0.69 0.46 0.00 -2.08 0.00 0.00 177.43 177.10 1yp1 h SER 181 N 0.92 1.05 -0.58 0.00 0.02 -1.81 -0.83 113.55 112.33 1yp1 h SER 181 Ca 0.26 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1yp1 h SER 181 Cb -0.07 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.17 1yp1 h SER 181 CO -0.07 0.94 0.11 -0.07 -1.14 0.00 0.00 176.83 176.60 1yp1 h LEU 182 N 1.09 0.93 -0.68 5.07 3.38 -0.83 -1.27 115.31 123.01 1yp1 h LEU 182 Ca 0.25 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1yp1 h LEU 182 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1yp1 h LEU 182 CO -0.02 0.92 -0.31 0.40 0.09 0.00 0.00 178.44 179.53 1yp1 h ILE 183 N 0.93 1.28 -0.51 1.22 2.04 -0.93 -1.48 117.51 120.05 1yp1 h ILE 183 Ca 0.19 -1.43 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 1yp1 h ILE 183 Cb 0.39 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1yp1 h ILE 183 CO 0.01 0.47 -0.07 -0.07 0.00 0.00 0.00 178.15 178.49 1yp1 h LEU 184 N 0.59 0.89 -0.71 1.44 3.38 -0.69 -0.84 115.31 119.37 1yp1 h LEU 184 Ca 0.07 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1yp1 h LEU 184 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1yp1 h LEU 184 CO 0.07 0.99 -0.12 0.22 0.09 0.00 0.00 178.44 179.69 1yp1 h TYR 185 N 0.82 0.96 -0.46 1.13 3.20 -0.98 -0.56 116.97 121.09 1yp1 h TYR 185 Ca 0.14 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 1yp1 h TYR 185 Cb 0.58 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1yp1 h TYR 185 CO 0.03 0.93 0.01 1.49 -1.64 0.00 0.00 178.16 178.99 1yp1 h GLU 186 N 0.77 0.74 -0.47 1.82 4.57 -0.89 -1.64 114.58 119.48 1yp1 h GLU 186 Ca 0.12 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 1yp1 h GLU 186 Cb 0.64 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1yp1 h GLU 186 CO 0.04 0.75 -0.22 -0.44 -1.18 0.00 0.00 179.01 177.96 1yp1 h ASP 187 N 0.70 1.00 -0.25 1.04 3.32 -0.64 -1.17 116.42 120.42 1yp1 h ASP 187 Ca 0.14 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 1yp1 h ASP 187 Cb 0.41 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1yp1 h ASP 187 CO 0.02 1.17 0.15 0.15 -1.72 0.00 0.00 179.24 179.00 1yp1 h PHE 188 N 0.84 0.34 -0.01 4.55 3.57 -0.76 0.41 116.94 125.88 1yp1 h PHE 188 Ca 0.11 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1yp1 h PHE 188 Cb 0.79 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1yp1 h PHE 188 CO 0.05 0.27 0.00 -0.07 -2.23 0.00 0.00 178.31 176.34 1yp1 h LEU 189 N 0.31 0.01 0.53 0.59 3.38 -1.21 0.31 115.31 119.22 1yp1 h LEU 189 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1yp1 h LEU 189 Cb 0.04 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1yp1 h LEU 189 CO -0.02 0.04 -0.25 0.28 0.09 0.00 0.00 178.44 178.58 1yp1 h SER 190 N -0.03 -0.60 0.12 -0.43 0.02 -1.00 -2.29 113.55 109.34 1yp1 h SER 190 Ca 0.00 -0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 1yp1 h SER 190 Cb 0.04 0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.75 1yp1 h SER 190 CO -0.00 -0.33 -0.98 0.78 -1.14 0.00 0.00 176.83 175.16 1yp1 h ASN 191 N -0.84 0.66 0.87 3.07 2.35 -0.22 -3.38 115.58 118.08 1yp1 h ASN 191 Ca -0.07 -0.86 -0.09 0.00 -0.55 0.00 0.00 56.30 54.72 1yp1 h ASN 191 Cb 0.60 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1yp1 h ASN 191 CO 0.12 1.46 -1.19 -0.33 -1.65 0.00 0.00 177.43 175.84 1yp1 h GLU 192 N -0.05 0.00 -6.53 0.81 4.39 -0.52 -3.50 114.58 109.18 1yp1 h GLU 192 Ca -0.15 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.10 1yp1 h GLU 192 Cb 1.71 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.38 1yp1 h GLU 192 CO 0.19 0.16 -0.91 0.39 -1.16 0.00 0.00 179.01 177.67 1yp1 n GLU 193 N -2.81 -1.14 -2.00 2.33 1.02 -0.86 -4.83 120.64 112.35 1yp1 n GLU 193 Ca -0.05 0.63 -0.26 0.00 -0.02 0.00 0.00 57.16 57.46 1yp1 n GLU 193 Cb 0.71 -3.10 -0.05 0.00 -0.02 0.00 0.00 31.44 28.97 1yp1 n GLU 193 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1yp1 s PRO 194 N -5.49 2.46 0.29 3.49 0.04 -1.26 -4.87 135.00 129.66 1yp1 s PRO 194 Ca 0.21 -0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.11 1yp1 s PRO 194 Cb -0.10 -4.99 0.56 0.00 0.04 0.00 0.00 34.50 30.01 1yp1 s PRO 194 CO 0.89 -3.45 1.84 -0.44 0.04 0.00 0.00 177.00 175.89 1yp1 h ASP 195 N 11.69 0.92 -0.11 6.66 3.32 -1.93 -3.02 116.42 133.96 1yp1 h ASP 195 Ca 0.07 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1yp1 h ASP 195 Cb 1.02 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 1yp1 h ASP 195 CO 1.19 0.50 0.13 0.00 -1.72 0.00 0.00 179.24 179.34 1yp1 n ILE 197 N -3.76 0.06 0.93 0.00 -5.35 -1.14 -4.04 119.36 106.06 1yp1 n ILE 197 Ca -0.00 -0.06 0.10 0.00 -0.27 0.00 0.00 62.75 62.52 1yp1 n ILE 197 Cb 0.24 0.31 0.01 0.00 -1.74 0.00 0.00 39.64 38.46 1yp1 n ILE 197 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1yp1 n ASP 198 N -1.62 2.12 -3.10 7.28 10.43 -0.49 -1.08 116.55 130.10 1yp1 n ASP 198 Ca 0.05 -1.56 -0.16 0.00 2.57 0.00 0.00 54.79 55.69 1yp1 n ASP 198 Cb 0.36 0.39 0.15 0.00 1.84 0.00 0.00 41.12 43.85 1yp1 n ASP 198 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1yp1 n ASN 199 N 0.21 -2.91 0.00 -2.24 3.02 -1.04 -5.04 115.26 107.25 1yp1 n ASN 199 Ca 0.09 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1yp1 n ASN 199 Cb 0.46 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1yp1 n ASN 199 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64