#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nup n VAL 2 N 0.00 0.00 -3.45 3.17 0.31 -1.26 -4.91 118.33 112.19 2nup n VAL 2 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2nup n VAL 2 Cb 0.00 -1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.74 2nup n VAL 2 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2nup s LEU 3 N 0.00 3.71 0.00 7.52 2.34 -1.26 -4.46 118.68 126.53 2nup s LEU 3 Ca 0.00 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 53.78 2nup s LEU 3 Cb 0.00 -2.48 0.00 0.00 -0.56 0.00 0.00 46.19 43.15 2nup s LEU 3 CO 0.00 -0.53 0.00 -0.11 -1.06 0.00 0.00 176.35 174.65 2nup n LEU 4 N -1.61 0.00 -4.29 1.48 7.94 -1.26 -4.76 117.00 114.50 2nup n LEU 4 Ca 0.02 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.60 2nup n LEU 4 Cb 0.59 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.38 2nup n LEU 4 CO 0.41 0.00 -0.54 -0.89 -1.11 0.00 0.00 177.39 175.26 2nup s THR 5 N 0.00 2.27 -0.03 1.96 2.01 -1.15 -1.66 115.64 119.03 2nup s THR 5 Ca 0.00 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 2nup s THR 5 Cb 0.00 -1.86 0.03 0.00 0.01 0.00 0.00 72.50 70.68 2nup s THR 5 CO 0.00 0.56 0.06 -0.04 -0.69 0.00 0.00 174.62 174.51 2nup s MET 6 N -0.01 0.00 -0.19 4.92 -1.94 -0.56 -1.72 119.30 119.80 2nup s MET 6 Ca -0.07 0.22 -0.01 0.00 -1.71 0.00 0.00 55.69 54.11 2nup s MET 6 Cb -0.15 -0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.49 2nup s MET 6 CO 0.05 -0.15 -0.12 0.42 -0.01 0.00 0.00 175.02 175.21 2nup s ILE 7 N 0.99 2.78 0.01 2.53 1.01 0.52 -0.67 121.20 128.37 2nup s ILE 7 Ca -0.08 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2nup s ILE 7 Cb -0.11 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2nup s ILE 7 CO -0.03 0.49 -0.04 0.00 0.00 0.00 0.00 174.94 175.35 2nup s ALA 8 N 1.20 0.29 -0.10 9.38 0.00 -0.43 0.15 121.76 132.24 2nup s ALA 8 Ca 0.02 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 2nup s ALA 8 Cb -0.14 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2nup s ALA 8 CO -0.05 -0.01 1.63 0.50 0.00 0.00 0.00 175.76 177.83 2nup s ARG 9 N -0.75 4.08 0.23 0.00 3.52 -0.34 -0.19 118.95 125.50 2nup s ARG 9 Ca -0.05 2.04 -0.06 0.00 -0.13 0.00 0.00 55.73 57.52 2nup s ARG 9 Cb -0.05 -3.99 0.36 0.00 -1.56 0.00 0.00 34.95 29.71 2nup s ARG 9 CO -0.00 -0.96 1.76 0.28 -0.81 0.00 0.00 175.30 175.57 2nup h VAL 10 N 5.72 0.77 -0.03 7.11 2.07 -0.89 0.53 116.25 131.53 2nup h VAL 10 Ca -0.37 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2nup h VAL 10 Cb 1.17 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2nup h VAL 10 CO 0.97 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 178.61 2nup h ALA 11 N 1.46 -0.33 0.00 1.67 0.00 -1.85 -3.29 119.26 116.93 2nup h ALA 11 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2nup h ALA 11 Cb 0.45 0.74 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nup h ALA 11 CO -0.32 -0.35 -1.52 -0.40 0.00 0.00 0.00 179.25 176.67 2nup n ASP 12 N -2.91 0.44 0.00 0.00 3.85 -1.23 -4.97 116.55 111.72 2nup n ASP 12 Ca -0.00 -0.36 0.00 0.00 -0.71 0.00 0.00 54.79 53.72 2nup n ASP 12 Cb 0.03 1.47 0.00 0.00 -1.35 0.00 0.00 41.12 41.27 2nup n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2nup n GLY 13 N 1.35 0.67 3.66 6.12 0.00 0.18 -4.78 105.19 112.39 2nup n GLY 13 Ca -0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2nup n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nup s LEU 14 N 0.00 4.32 0.27 0.99 2.96 -1.13 -4.68 118.68 121.40 2nup s LEU 14 Ca 0.00 2.39 -0.31 0.00 -0.22 0.00 0.00 54.13 55.99 2nup s LEU 14 Cb 0.00 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.04 2nup s LEU 14 CO 0.00 -1.04 1.62 -2.65 -1.32 0.00 0.00 176.35 172.96 2nup n PRO 15 N 7.41 2.69 -0.09 0.98 -0.02 -1.26 -1.20 135.00 143.51 2nup n PRO 15 Ca 0.19 0.96 -0.18 0.00 -2.02 0.00 0.00 63.50 62.45 2nup n PRO 15 Cb 0.42 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.08 2nup n PRO 15 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2nup n LEU 16 N 2.62 1.50 -3.60 2.45 4.77 0.12 -0.66 117.00 124.20 2nup n LEU 16 Ca 0.11 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 2nup n LEU 16 Cb 0.36 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 2nup n LEU 16 CO 0.64 0.43 0.37 0.00 -1.33 0.00 0.00 177.39 177.50 2nup s ALA 17 N -2.32 -1.64 0.33 -1.18 0.00 -0.99 -2.44 121.76 113.52 2nup s ALA 17 Ca -0.24 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2nup s ALA 17 Cb 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2nup s ALA 17 CO 0.32 -0.34 0.38 0.00 0.00 0.00 0.00 175.76 176.13 2nup n ALA 18 N 1.75 0.12 -3.58 0.00 0.00 -1.26 -0.35 120.51 117.19 2nup n ALA 18 Ca -0.17 -1.69 -0.02 0.00 0.00 0.00 0.00 53.44 51.56 2nup n ALA 18 Cb 0.56 1.37 -0.06 0.00 0.00 0.00 0.00 19.45 21.32 2nup n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nup s SER 19 N -3.15 -0.70 -0.10 0.00 0.15 -0.70 -4.72 113.70 104.48 2nup s SER 19 Ca 0.32 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 57.87 2nup s SER 19 Cb 0.00 1.53 0.04 0.00 -1.71 0.00 0.00 66.02 65.88 2nup s SER 19 CO 0.23 -0.16 0.39 -0.04 1.20 0.00 0.00 173.24 174.86 2nup s MET 20 N 1.93 0.57 -0.19 5.44 -1.94 -1.26 -2.95 119.30 120.91 2nup s MET 20 Ca -0.07 0.29 -0.08 0.00 -1.71 0.00 0.00 55.69 54.12 2nup s MET 20 Cb -0.06 0.27 0.08 0.00 2.01 0.00 0.00 34.83 37.12 2nup s MET 20 CO -0.17 -0.11 0.42 -0.65 -0.01 0.00 0.00 175.02 174.50 2nup s GLN 21 N -0.38 0.37 -0.27 2.03 -0.21 -1.26 -5.09 119.66 114.86 2nup s GLN 21 Ca -0.05 0.93 -0.09 0.00 0.02 0.00 0.00 55.36 56.17 2nup s GLN 21 Cb -0.03 0.16 -0.13 0.00 1.00 0.00 0.00 33.01 34.00 2nup s GLN 21 CO 0.02 -0.20 -0.31 0.39 -2.12 0.00 0.00 175.29 173.07 2nup n GLU 22 N 4.82 0.60 -1.68 2.91 1.02 -1.26 -4.99 120.64 122.05 2nup n GLU 22 Ca -0.16 0.22 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 2nup n GLU 22 Cb 0.52 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 2nup n GLU 22 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2nup n ASP 23 N -3.90 6.98 -4.39 1.62 8.00 -1.26 -5.19 116.55 118.41 2nup n ASP 23 Ca -0.51 -3.23 -0.20 0.00 0.71 0.00 0.00 54.79 51.56 2nup n ASP 23 Cb 0.91 -1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 40.65 2nup n ASP 23 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2nup s ASP 29 N 0.26 2.89 0.31 -2.24 1.01 -1.26 -5.28 116.67 112.36 2nup s ASP 29 Ca 0.57 -1.03 0.08 0.00 0.71 0.00 0.00 52.55 52.87 2nup s ASP 29 Cb 0.33 -0.19 0.84 0.00 1.01 0.00 0.00 42.92 44.91 2nup s ASP 29 CO -0.19 -0.12 1.72 0.25 0.21 0.00 0.00 175.17 177.04 2nup h LEU 30 N 2.45 0.57 -0.56 1.23 5.85 -2.00 -2.68 115.31 120.18 2nup h LEU 30 Ca -0.39 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2nup h LEU 30 Cb 1.23 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 2nup h LEU 30 CO 0.62 0.07 -0.33 1.67 -0.34 0.00 0.00 178.44 180.13 2nup n GLN 31 N -4.93 -0.25 0.10 1.25 0.00 -1.26 -0.46 117.38 111.83 2nup n GLN 31 Ca 0.25 1.28 -0.04 0.00 -0.00 0.00 0.00 57.00 58.50 2nup n GLN 31 Cb 0.72 -1.90 -0.02 0.00 0.00 0.00 0.00 30.24 29.04 2nup n GLN 31 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2nup h GLN 32 N 0.00 -0.26 -0.15 3.69 4.15 -1.93 -2.76 115.11 117.86 2nup h GLN 32 Ca 0.09 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.57 2nup h GLN 32 Cb 0.23 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2nup h GLN 32 CO -0.53 -0.17 0.39 1.88 -1.93 0.00 0.00 178.83 178.48 2nup h TYR 33 N -0.26 0.00 -0.21 3.99 -1.99 -1.61 0.19 116.97 117.08 2nup h TYR 33 Ca -0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 2nup h TYR 33 Cb 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 2nup h TYR 33 CO 0.15 0.00 -0.32 0.37 -0.00 0.00 0.00 178.16 178.36 2nup h GLN 34 N 0.00 0.58 0.29 4.88 4.15 -0.56 -1.53 115.11 122.92 2nup h GLN 34 Ca 0.07 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 2nup h GLN 34 Cb 0.86 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2nup h GLN 34 CO -0.00 0.96 -0.19 0.66 -1.93 0.00 0.00 178.83 178.33 2nup h SER 35 N 0.26 -0.47 -0.54 -0.69 4.64 -0.35 -1.61 113.55 114.79 2nup h SER 35 Ca 0.02 0.03 0.11 0.00 -0.47 0.00 0.00 61.79 61.48 2nup h SER 35 Cb 0.90 0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 63.04 2nup h SER 35 CO 0.07 -0.30 -0.12 1.56 -0.87 0.00 0.00 176.83 177.18 2nup h GLN 36 N -0.46 0.01 -0.51 4.77 4.20 -1.43 0.41 115.11 122.10 2nup h GLN 36 Ca -0.03 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.78 2nup h GLN 36 Cb 0.39 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 2nup h GLN 36 CO 0.02 0.01 -0.01 0.00 -0.67 0.00 0.00 178.83 178.18 2nup h ALA 37 N 1.53 0.47 0.00 3.87 0.00 -0.79 0.33 119.26 124.68 2nup h ALA 37 Ca 0.26 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2nup h ALA 37 Cb 0.40 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2nup h ALA 37 CO -0.54 -0.39 -0.17 0.87 0.00 0.00 0.00 179.25 179.01 2nup h LYS 38 N 0.11 0.00 -0.18 0.00 1.57 -0.10 -2.07 116.57 115.89 2nup h LYS 38 Ca 0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 2nup h LYS 38 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2nup h LYS 38 CO -0.44 0.17 -0.10 1.96 -0.57 0.00 0.00 179.45 180.47 2nup h GLN 39 N 0.00 0.39 0.24 3.15 1.08 0.34 -2.81 115.11 117.49 2nup h GLN 39 Ca -0.00 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2nup h GLN 39 Cb 0.65 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2nup h GLN 39 CO 0.02 0.70 -0.15 1.25 -0.95 0.00 0.00 178.83 179.70 2nup h LEU 40 N 0.07 -0.37 -0.86 1.46 5.85 -0.47 -2.24 115.31 118.76 2nup h LEU 40 Ca 0.04 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.99 2nup h LEU 40 Cb 0.59 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 2nup h LEU 40 CO 0.03 -0.24 0.32 -0.26 -0.34 0.00 0.00 178.44 177.95 2nup h PHE 41 N -0.37 0.53 0.25 1.25 0.05 -1.40 0.17 116.94 117.42 2nup h PHE 41 Ca -0.02 0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 2nup h PHE 41 Cb 0.31 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.17 2nup h PHE 41 CO -0.09 -0.07 -0.12 -0.09 -0.18 0.00 0.00 178.31 177.76 2nup h ARG 42 N 0.35 -0.33 -0.83 1.51 2.43 -1.21 -3.10 114.38 113.20 2nup h ARG 42 Ca 0.52 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.68 2nup h ARG 42 Cb 0.98 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 2nup h ARG 42 CO -0.54 -0.19 0.38 0.87 -1.51 0.00 0.00 179.97 178.99 2nup h LYS 43 N -0.38 1.21 -6.46 0.20 1.79 -0.53 -3.44 116.57 108.96 2nup h LYS 43 Ca -0.03 -0.19 -0.61 0.00 -2.18 0.00 0.00 60.65 57.64 2nup h LYS 43 Cb 0.29 -0.21 0.07 0.00 -1.58 0.00 0.00 32.23 30.80 2nup h LYS 43 CO 0.06 0.94 0.61 1.28 -1.08 0.00 0.00 179.45 181.26 2nup n LEU 44 N -4.30 2.60 0.00 2.94 4.77 0.45 -4.97 117.00 118.50 2nup n LEU 44 Ca 0.08 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 2nup n LEU 44 Cb 0.15 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2nup n LEU 44 CO 0.40 -0.63 0.00 -0.46 -1.33 0.00 0.00 177.39 175.37 2nup n ASN 45 N 2.70 0.00 0.00 -1.43 0.23 -1.26 -4.74 115.26 110.76 2nup n ASN 45 Ca 0.15 -0.88 0.09 0.00 -0.53 0.00 0.00 54.58 53.41 2nup n ASN 45 Cb 0.27 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.45 2nup n ASN 45 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2nup n GLU 46 N 0.00 0.32 0.00 -3.83 0.00 -1.26 -2.29 120.64 113.58 2nup n GLU 46 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 57.16 57.31 2nup n GLU 46 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 2nup n GLU 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2nup n GLN 47 N -1.23 2.68 -1.96 3.44 6.02 -1.26 -5.02 117.38 120.05 2nup n GLN 47 Ca 0.10 -0.35 -0.33 0.00 -0.01 0.00 0.00 57.00 56.40 2nup n GLN 47 Cb 0.13 -1.07 0.03 0.00 1.02 0.00 0.00 30.24 30.35 2nup n GLN 47 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2nup s SER 48 N -1.71 5.46 0.16 1.08 0.01 -0.97 -4.97 113.70 112.76 2nup s SER 48 Ca 0.07 1.97 -0.32 0.00 1.31 0.00 0.00 55.95 58.98 2nup s SER 48 Cb 0.09 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.66 2nup s SER 48 CO 0.35 -1.39 1.65 -2.84 0.41 0.00 0.00 173.24 171.42 2nup s PRO 49 N -3.93 4.18 0.59 12.44 0.02 -1.26 -4.91 135.00 142.13 2nup s PRO 49 Ca 0.67 2.45 0.36 0.00 0.02 0.00 0.00 61.00 64.49 2nup s PRO 49 Cb -0.19 -3.22 1.82 0.00 0.02 0.00 0.00 34.50 32.92 2nup s PRO 49 CO 0.37 -0.68 2.17 1.79 -0.33 0.00 0.00 177.00 180.32 2nup h THR 50 N 4.11 0.20 -2.29 0.99 1.35 -1.93 -3.40 112.91 111.94 2nup h THR 50 Ca -0.43 -0.30 -0.21 0.00 -0.55 0.00 0.00 66.41 64.91 2nup h THR 50 Cb 1.20 1.24 -0.32 0.00 -1.73 0.00 0.00 68.15 68.55 2nup h THR 50 CO 0.93 0.04 -0.53 -0.13 -0.25 0.00 0.00 175.52 175.58 2nup s ARG 51 N -4.06 0.26 0.11 4.72 0.52 -1.26 -0.75 118.95 118.49 2nup s ARG 51 Ca -0.03 0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.67 2nup s ARG 51 Cb 0.12 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 2nup s ARG 51 CO 0.51 -0.57 -0.02 0.00 0.02 0.00 0.00 175.30 175.23 2nup s THR 53 N -3.77 0.90 0.07 0.00 2.01 0.38 -1.97 115.64 113.27 2nup s THR 53 Ca 0.15 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.87 2nup s THR 53 Cb 0.06 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2nup s THR 53 CO -0.03 0.30 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.25 2nup s LEU 54 N 0.60 2.62 -0.24 4.42 1.43 0.34 -1.38 118.68 126.46 2nup s LEU 54 Ca -0.11 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2nup s LEU 54 Cb -0.14 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2nup s LEU 54 CO 0.02 0.22 -0.03 -1.61 0.23 0.00 0.00 176.35 175.18 2nup s GLU 55 N -1.73 3.18 -0.51 1.70 2.02 -0.53 -0.77 118.70 122.07 2nup s GLU 55 Ca 0.16 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.46 2nup s GLU 55 Cb -0.10 -3.05 0.35 0.00 0.10 0.00 0.00 34.13 31.42 2nup s GLU 55 CO 0.07 -0.29 0.89 0.00 0.02 0.00 0.00 175.26 175.94 2nup n ALA 56 N 4.77 3.84 0.00 5.21 0.00 -0.56 -2.30 120.51 131.48 2nup n ALA 56 Ca -0.17 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.00 2nup n ALA 56 Cb 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2nup n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nup n GLY 57 N -0.09 0.34 0.00 0.00 0.00 -1.26 -2.98 105.19 101.20 2nup n GLY 57 Ca 0.29 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.59 2nup n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup n ALA 58 N 9.14 1.80 -2.56 4.61 0.00 -1.26 -4.70 120.51 127.53 2nup n ALA 58 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 2nup n ALA 58 Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 2nup n ALA 58 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2nup s MET 59 N -2.45 2.48 -0.25 0.00 -1.94 -1.16 -1.62 119.30 114.37 2nup s MET 59 Ca 0.14 -1.43 -0.07 0.00 -1.71 0.00 0.00 55.69 52.61 2nup s MET 59 Cb 0.09 -2.27 0.12 0.00 2.01 0.00 0.00 34.83 34.78 2nup s MET 59 CO 0.18 0.17 0.52 0.99 -0.01 0.00 0.00 175.02 176.87 2nup s THR 60 N -2.36 -0.81 0.14 2.05 2.01 -0.58 -1.49 115.64 114.61 2nup s THR 60 Ca 0.37 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.24 2nup s THR 60 Cb -0.04 -0.83 -0.07 0.00 0.01 0.00 0.00 72.50 71.56 2nup s THR 60 CO 0.23 0.02 0.64 -0.36 -0.69 0.00 0.00 174.62 174.47 2nup s PHE 61 N 2.74 3.74 -0.04 4.92 0.40 0.05 -3.29 117.98 126.50 2nup s PHE 61 Ca 0.00 1.32 0.01 0.00 -0.60 0.00 0.00 56.93 57.66 2nup s PHE 61 Cb -0.13 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.88 2nup s PHE 61 CO -0.16 0.47 -0.02 -1.01 0.70 0.00 0.00 175.22 175.20 2nup s HIS 62 N -1.30 0.53 0.21 0.36 3.76 0.15 -0.51 115.29 118.49 2nup s HIS 62 Ca 0.36 -0.10 -0.09 0.00 -0.15 0.00 0.00 55.06 55.07 2nup s HIS 62 Cb -0.18 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 32.95 2nup s HIS 62 CO 0.21 -0.17 0.34 1.52 -0.85 0.00 0.00 174.74 175.79 2nup s TYR 63 N 1.03 0.50 0.11 1.40 -0.85 -0.83 -0.57 117.35 118.14 2nup s TYR 63 Ca -0.10 -0.84 -0.10 0.00 -0.52 0.00 0.00 57.07 55.51 2nup s TYR 63 Cb -0.14 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.17 2nup s TYR 63 CO -0.01 -0.82 0.25 0.96 -1.52 0.00 0.00 175.55 174.41 2nup s ILE 64 N -4.02 0.11 -0.01 -3.49 -4.36 -0.88 -2.57 121.20 105.97 2nup s ILE 64 Ca 0.23 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 2nup s ILE 64 Cb 0.02 -1.42 -0.00 0.00 1.25 0.00 0.00 42.46 42.31 2nup s ILE 64 CO 0.06 -0.51 -0.07 -0.63 0.24 0.00 0.00 174.94 174.03 2nup s ILE 65 N -3.87 0.59 -0.21 8.37 1.01 0.07 -0.87 121.20 126.28 2nup s ILE 65 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 2nup s ILE 65 Cb 0.04 -0.51 0.08 0.00 0.01 0.00 0.00 42.46 42.08 2nup s ILE 65 CO -0.09 0.18 0.49 -1.61 0.00 0.00 0.00 174.94 173.91 2nup s GLU 66 N -0.01 0.46 -1.36 2.79 0.41 -0.40 -4.92 118.70 115.67 2nup s GLU 66 Ca 0.01 0.99 -0.03 0.00 -0.41 0.00 0.00 54.97 55.53 2nup s GLU 66 Cb -0.05 0.16 0.02 0.00 -1.78 0.00 0.00 34.13 32.49 2nup s GLU 66 CO -0.00 -0.18 0.76 1.04 -0.49 0.00 0.00 175.26 176.39 2nup n GLN 67 N 4.62 -5.07 -1.25 1.61 3.00 -1.26 -1.60 117.38 117.44 2nup n GLN 67 Ca -0.18 0.61 -0.08 0.00 -0.01 0.00 0.00 57.00 57.33 2nup n GLN 67 Cb 0.54 -5.24 -0.04 0.00 0.00 0.00 0.00 30.24 25.50 2nup n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nup n GLY 68 N -1.62 0.92 3.23 1.08 0.00 -1.26 -4.99 105.19 102.56 2nup n GLY 68 Ca -0.22 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2nup n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nup s VAL 69 N -1.98 2.27 -0.20 1.61 1.01 -0.63 -0.16 120.40 122.33 2nup s VAL 69 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 2nup s VAL 69 Cb 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2nup s VAL 69 CO 0.00 0.55 0.11 0.00 0.00 0.00 0.00 175.10 175.76 2nup s TYR 71 N 0.37 3.28 -0.02 0.00 1.51 -0.05 -1.32 117.35 121.12 2nup s TYR 71 Ca 0.07 -1.30 0.03 0.00 -1.01 0.00 0.00 57.07 54.86 2nup s TYR 71 Cb -0.11 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.12 2nup s TYR 71 CO -0.01 -0.74 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.42 2nup s LEU 72 N 1.46 3.04 0.01 -1.29 2.96 0.15 -2.08 118.68 122.93 2nup s LEU 72 Ca 0.01 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2nup s LEU 72 Cb -0.21 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2nup s LEU 72 CO 0.04 0.31 0.00 0.54 -1.32 0.00 0.00 176.35 175.92 2nup s VAL 73 N -0.90 0.06 0.36 1.68 0.11 0.26 -1.50 120.40 120.47 2nup s VAL 73 Ca 0.15 -0.48 0.09 0.00 -2.93 0.00 0.00 61.98 58.81 2nup s VAL 73 Cb -0.11 -0.17 -0.07 0.00 -1.53 0.00 0.00 36.38 34.51 2nup s VAL 73 CO 0.05 -0.26 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.26 2nup s LEU 74 N -0.78 2.76 0.00 2.54 2.96 -0.66 -0.67 118.68 124.82 2nup s LEU 74 Ca -0.09 -1.24 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 2nup s LEU 74 Cb -0.05 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2nup s LEU 74 CO -0.00 -0.26 0.00 0.00 -1.32 0.00 0.00 176.35 174.76 2nup s GLU 76 N -2.00 4.20 0.35 0.00 2.02 -1.26 -1.52 118.70 120.48 2nup s GLU 76 Ca 0.00 2.41 0.13 0.00 0.02 0.00 0.00 54.97 57.53 2nup s GLU 76 Cb 0.00 -3.15 1.11 0.00 0.10 0.00 0.00 34.13 32.20 2nup s GLU 76 CO 0.00 -0.64 1.58 0.00 0.02 0.00 0.00 175.26 176.22 2nup h ALA 77 N 6.83 1.77 -1.33 5.21 0.00 -1.52 0.56 119.26 130.78 2nup h ALA 77 Ca -0.43 0.30 0.40 0.00 0.00 0.00 0.00 54.91 55.18 2nup h ALA 77 Cb 1.20 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 2nup h ALA 77 CO 0.92 -0.80 0.90 0.00 0.00 0.00 0.00 179.25 180.28 2nup h ALA 78 N 2.00 2.90 -2.62 0.00 0.00 -1.88 -3.42 119.26 116.24 2nup h ALA 78 Ca 0.75 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 55.13 2nup h ALA 78 Cb 1.84 0.13 0.11 0.00 0.00 0.00 0.00 17.79 19.86 2nup h ALA 78 CO -0.83 -1.40 0.58 0.34 0.00 0.00 0.00 179.25 177.94 2nup n PHE 79 N -4.43 2.46 -1.58 0.00 7.35 0.20 -4.85 117.46 116.62 2nup n PHE 79 Ca 0.33 0.52 -0.46 0.00 -0.76 0.00 0.00 57.45 57.07 2nup n PHE 79 Cb 1.35 -2.45 -0.05 0.00 0.35 0.00 0.00 39.48 38.69 2nup n PHE 79 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2nup n PRO 80 N 0.63 1.84 0.26 -7.13 -0.02 -1.26 -4.84 135.00 124.49 2nup n PRO 80 Ca 0.04 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 2nup n PRO 80 Cb 0.37 -2.85 0.65 0.00 -0.02 0.00 0.00 33.50 31.64 2nup n PRO 80 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2nup h LYS 81 N 12.49 0.00 -0.47 -0.52 -0.00 -1.88 -0.62 116.57 125.57 2nup h LYS 81 Ca -0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.21 2nup h LYS 81 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.48 2nup h LYS 81 CO 0.97 0.02 0.13 1.57 -0.00 0.00 0.00 179.45 182.14 2nup h LYS 82 N 0.00 0.74 0.00 0.07 2.10 -2.01 -3.00 116.57 114.47 2nup h LYS 82 Ca -0.00 -0.17 -0.14 0.00 -2.00 0.00 0.00 60.65 58.34 2nup h LYS 82 Cb 0.03 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.24 2nup h LYS 82 CO 0.00 0.72 -0.67 -0.07 -2.00 0.00 0.00 179.45 177.43 2nup h LEU 83 N 0.63 0.00 -0.14 7.07 3.38 -1.56 -3.25 115.31 121.44 2nup h LEU 83 Ca 0.15 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2nup h LEU 83 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2nup h LEU 83 CO -0.00 0.67 0.04 0.00 0.09 0.00 0.00 178.44 179.24 2nup h ALA 84 N 1.33 0.15 -0.25 1.53 0.00 -1.04 -2.02 119.26 118.96 2nup h ALA 84 Ca -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2nup h ALA 84 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2nup h ALA 84 CO 0.09 -0.40 -0.52 0.74 0.00 0.00 0.00 179.25 179.16 2nup h PHE 85 N 0.11 0.89 -0.78 0.00 -1.00 -1.65 -2.48 116.94 112.03 2nup h PHE 85 Ca 0.06 -0.30 0.07 0.00 2.81 0.00 0.00 57.97 60.60 2nup h PHE 85 Cb 0.03 -0.17 -0.06 0.00 3.61 0.00 0.00 35.95 39.36 2nup h PHE 85 CO -0.11 1.08 0.46 0.00 -1.61 0.00 0.00 178.31 178.13 2nup h ALA 86 N 0.86 1.07 -0.66 2.45 0.00 -1.57 0.46 119.26 121.87 2nup h ALA 86 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2nup h ALA 86 Cb 1.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2nup h ALA 86 CO 0.11 0.15 0.43 -0.92 0.00 0.00 0.00 179.25 179.02 2nup h TYR 87 N 0.83 0.80 -0.43 0.00 3.20 -1.18 -1.85 116.97 118.34 2nup h TYR 87 Ca 0.35 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.11 2nup h TYR 87 Cb 0.22 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2nup h TYR 87 CO -0.06 0.48 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.64 2nup h LEU 88 N 0.85 0.95 -0.20 2.82 3.38 -0.65 -2.93 115.31 119.54 2nup h LEU 88 Ca 0.26 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2nup h LEU 88 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2nup h LEU 88 CO -0.08 1.16 0.02 -0.33 0.09 0.00 0.00 178.44 179.30 2nup h GLU 89 N 0.75 0.09 -0.97 1.13 4.39 0.17 -0.37 114.58 119.78 2nup h GLU 89 Ca 0.09 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.89 2nup h GLU 89 Cb 0.81 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 2nup h GLU 89 CO 0.07 0.06 0.61 -0.44 -1.16 0.00 0.00 179.01 178.15 2nup h ASP 90 N 0.10 0.90 -0.03 1.42 5.19 -1.32 -1.77 116.42 120.91 2nup h ASP 90 Ca 0.09 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2nup h ASP 90 Cb 0.10 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 2nup h ASP 90 CO -0.14 0.50 0.00 -0.07 -3.12 0.00 0.00 179.24 176.42 2nup h LEU 91 N 0.99 0.05 0.00 1.55 3.38 -1.20 -3.07 115.31 117.01 2nup h LEU 91 Ca 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2nup h LEU 91 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2nup h LEU 91 CO -0.25 0.30 0.00 1.57 0.09 0.00 0.00 178.44 180.15 2nup n HIS 92 N -4.93 0.00 -0.37 1.13 -0.00 -0.21 -0.20 115.22 110.64 2nup n HIS 92 Ca -0.07 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.13 2nup n HIS 92 Cb 0.15 -0.27 0.08 0.00 -0.12 0.00 0.00 29.99 29.83 2nup n HIS 92 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2nup n SER 93 N -1.79 -0.53 0.04 0.26 3.41 -1.00 0.74 113.62 114.75 2nup n SER 93 Ca 0.00 1.73 -0.11 0.00 -0.26 0.00 0.00 58.87 60.23 2nup n SER 93 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 2nup n SER 93 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2nup h GLU 94 N 0.00 -0.20 0.26 4.33 4.57 -1.40 0.12 114.58 122.26 2nup h GLU 94 Ca 0.40 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 2nup h GLU 94 Cb 0.65 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2nup h GLU 94 CO -1.01 -0.13 -0.13 0.35 -1.18 0.00 0.00 179.01 176.92 2nup h PHE 95 N -0.20 -0.33 -0.73 0.92 3.57 0.29 -0.21 116.94 120.25 2nup h PHE 95 Ca 0.05 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2nup h PHE 95 Cb 0.27 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 2nup h PHE 95 CO -0.19 -0.11 0.43 0.22 -2.23 0.00 0.00 178.31 176.42 2nup h ASP 96 N -0.48 0.64 -0.43 0.41 3.58 0.40 1.16 116.42 121.70 2nup h ASP 96 Ca -0.04 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2nup h ASP 96 Cb 0.36 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2nup h ASP 96 CO 0.06 0.41 0.27 -0.08 -2.88 0.00 0.00 179.24 177.02 2nup h GLU 97 N 0.78 0.59 0.18 0.28 4.81 -0.66 0.15 114.58 120.71 2nup h GLU 97 Ca 0.33 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.25 2nup h GLU 97 Cb 0.19 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 29.47 2nup h GLU 97 CO -0.18 0.42 -1.14 1.96 -0.73 0.00 0.00 179.01 179.34 2nup h GLN 98 N 0.58 0.38 0.00 1.92 1.08 -0.07 -3.42 115.11 115.58 2nup h GLN 98 Ca 0.16 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2nup h GLN 98 Cb -0.01 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2nup h GLN 98 CO -0.03 1.31 0.00 0.72 -0.95 0.00 0.00 178.83 179.88 2nup n HIS 99 N -3.94 0.00 -0.36 2.96 8.25 0.39 -4.85 115.22 117.66 2nup n HIS 99 Ca -0.16 -0.05 0.27 0.00 -0.26 0.00 0.00 57.72 57.52 2nup n HIS 99 Cb 0.94 -0.00 0.53 0.00 1.12 0.00 0.00 29.99 32.58 2nup n HIS 99 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2nup h GLY 100 N 0.00 1.69 1.66 -1.41 0.00 -0.26 -1.05 103.07 103.70 2nup h GLY 100 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2nup h GLY 100 CO 0.00 -0.40 -0.24 0.28 0.00 0.00 0.00 176.54 176.18 2nup n LYS 101 N -4.87 0.21 -0.02 4.80 4.76 -1.26 -3.93 118.16 117.84 2nup n LYS 101 Ca 0.32 0.12 0.05 0.00 -2.87 0.00 0.00 58.31 55.94 2nup n LYS 101 Cb 1.09 -1.70 -0.15 0.00 -1.84 0.00 0.00 35.03 32.43 2nup n LYS 101 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2nup n LYS 102 N -2.03 0.66 -0.31 1.97 4.81 -0.43 -4.61 118.16 118.22 2nup n LYS 102 Ca 0.05 -0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 2nup n LYS 102 Cb 0.41 -1.55 0.03 0.00 0.02 0.00 0.00 35.03 33.94 2nup n LYS 102 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2nup h VAL 103 N 0.00 0.07 0.00 3.15 2.07 -1.61 -0.01 116.25 119.92 2nup h VAL 103 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2nup h VAL 103 Cb 1.35 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2nup h VAL 103 CO 0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2nup n PRO 104 N -5.46 0.43 -0.02 1.57 -0.04 -1.26 -3.16 135.00 127.06 2nup n PRO 104 Ca 0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2nup n PRO 104 Cb 0.38 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 2nup n PRO 104 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nup n THR 105 N -0.51 0.23 -0.70 0.52 -2.24 -0.03 -5.06 114.28 106.49 2nup n THR 105 Ca 0.00 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 2nup n THR 105 Cb 0.00 -0.84 0.24 0.00 -2.10 0.00 0.00 70.33 67.63 2nup n THR 105 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2nup s VAL 106 N -2.08 1.96 0.00 2.28 -7.23 -1.17 -4.99 120.40 109.16 2nup s VAL 106 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 2nup s VAL 106 Cb 0.01 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2nup s VAL 106 CO 0.12 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.37 2nup n SER 107 N -4.81 0.00 -4.85 4.85 3.41 -1.26 -5.07 113.62 105.88 2nup n SER 107 Ca 0.04 -0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.16 2nup n SER 107 Cb 0.55 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2nup n SER 107 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2nup s ARG 108 N 0.00 3.96 0.24 4.33 0.52 -1.26 -5.02 118.95 121.72 2nup s ARG 108 Ca 0.00 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 55.63 2nup s ARG 108 Cb 0.00 -2.34 -0.09 0.00 0.52 0.00 0.00 34.95 33.05 2nup s ARG 108 CO 0.00 0.01 1.17 -2.14 0.02 0.00 0.00 175.30 174.35 2nup s PRO 109 N -3.43 4.54 -1.45 3.54 0.02 -1.26 -3.49 135.00 133.46 2nup s PRO 109 Ca 0.55 1.88 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 2nup s PRO 109 Cb -0.10 -3.20 0.05 0.00 0.02 0.00 0.00 34.50 31.27 2nup s PRO 109 CO 0.23 0.02 1.01 0.66 -0.33 0.00 0.00 177.00 178.59 2nup n TYR 110 N 1.80 -2.42 0.57 6.54 4.02 0.16 -4.83 117.16 122.99 2nup n TYR 110 Ca 0.02 0.93 0.00 0.00 -0.01 0.00 0.00 57.90 58.84 2nup n TYR 110 Cb 0.44 -4.35 0.00 0.00 -0.02 0.00 0.00 39.34 35.41 2nup n TYR 110 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2nup n SER 111 N -2.92 0.04 -2.78 7.72 7.64 -1.23 -2.08 113.62 120.02 2nup n SER 111 Ca -0.02 -0.61 -0.03 0.00 1.01 0.00 0.00 58.87 59.23 2nup n SER 111 Cb 0.56 -0.02 0.05 0.00 -1.01 0.00 0.00 64.21 63.78 2nup n SER 111 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2nup n PHE 112 N -0.39 1.31 0.20 1.43 3.01 -1.02 -4.90 117.46 117.10 2nup n PHE 112 Ca 0.00 -2.26 0.09 0.00 1.01 0.00 0.00 57.45 56.29 2nup n PHE 112 Cb 0.01 -0.26 0.62 0.00 -0.01 0.00 0.00 39.48 39.85 2nup n PHE 112 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 2nup h ILE 113 N 5.03 0.98 0.00 4.37 -2.65 -1.57 -0.58 117.51 123.08 2nup h ILE 113 Ca -0.11 -0.02 0.00 0.00 1.03 0.00 0.00 64.86 65.76 2nup h ILE 113 Cb 1.26 0.91 0.00 0.00 -2.05 0.00 0.00 36.82 36.94 2nup h ILE 113 CO 0.26 0.01 0.00 -0.62 0.03 0.00 0.00 178.15 177.83 2nup n GLU 114 N -4.51 0.08 -0.01 0.16 1.02 -1.26 -0.02 120.64 116.10 2nup n GLU 114 Ca -0.01 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 2nup n GLU 114 Cb 0.15 -1.50 0.66 0.00 -0.02 0.00 0.00 31.44 30.74 2nup n GLU 114 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2nup n PHE 115 N -1.33 0.02 -0.17 -0.32 7.35 -0.23 -3.54 117.46 119.25 2nup n PHE 115 Ca 0.03 -0.01 -0.04 0.00 -0.76 0.00 0.00 57.45 56.66 2nup n PHE 115 Cb 0.06 0.00 0.05 0.00 0.35 0.00 0.00 39.48 39.94 2nup n PHE 115 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2nup h ASP 116 N 0.38 0.38 0.53 -2.13 3.58 -0.62 -2.79 116.42 115.75 2nup h ASP 116 Ca 0.00 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2nup h ASP 116 Cb 0.08 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2nup h ASP 116 CO 0.00 0.26 -0.43 0.74 -2.88 0.00 0.00 179.24 176.94 2nup h THR 117 N 0.51 0.00 -0.50 2.25 2.02 -1.80 -2.72 112.91 112.67 2nup h THR 117 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.49 2nup h THR 117 Cb 0.13 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.46 2nup h THR 117 CO -0.15 0.00 0.08 0.15 0.37 0.00 0.00 175.52 175.97 2nup h PHE 118 N -0.93 0.12 -0.63 3.16 3.57 -1.81 -1.37 116.94 119.06 2nup h PHE 118 Ca -0.07 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.59 2nup h PHE 118 Cb 0.78 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.42 2nup h PHE 118 CO -0.17 -0.03 -0.10 0.82 -2.23 0.00 0.00 178.31 176.61 2nup h ILE 119 N 0.21 0.40 0.00 1.41 2.04 -1.40 -0.29 117.51 119.89 2nup h ILE 119 Ca 0.25 -0.01 -0.19 0.00 1.00 0.00 0.00 64.86 65.91 2nup h ILE 119 Cb 0.35 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2nup h ILE 119 CO -0.35 0.01 -0.85 1.56 0.00 0.00 0.00 178.15 178.52 2nup h GLN 120 N 0.04 0.12 0.00 2.37 4.20 -1.09 0.36 115.11 121.11 2nup h GLN 120 Ca 0.32 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2nup h GLN 120 Cb 0.50 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2nup h GLN 120 CO -0.61 0.90 -0.35 1.57 -0.67 0.00 0.00 178.83 179.66 2nup h LYS 121 N 0.07 0.00 0.07 1.46 2.10 -0.71 -2.78 116.57 116.78 2nup h LYS 121 Ca -0.03 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.30 2nup h LYS 121 Cb 1.47 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.78 2nup h LYS 121 CO 0.12 0.35 -1.72 1.15 -2.00 0.00 0.00 179.45 177.35 2nup h THR 122 N 0.00 0.89 -0.99 0.07 2.02 -1.00 -3.35 112.91 110.56 2nup h THR 122 Ca -0.00 -2.64 0.06 0.00 0.77 0.00 0.00 66.41 64.59 2nup h THR 122 Cb 0.95 2.56 -0.06 0.00 -1.74 0.00 0.00 68.15 69.86 2nup h THR 122 CO 0.05 0.73 0.64 0.50 0.37 0.00 0.00 175.52 177.80 2nup h LYS 123 N 0.04 1.14 0.00 6.66 3.64 -0.16 -2.07 116.57 125.83 2nup h LYS 123 Ca -0.31 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2nup h LYS 123 Cb 2.01 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 2nup h LYS 123 CO 0.11 0.76 -0.36 0.87 -2.27 0.00 0.00 179.45 178.55 2nup h LYS 124 N 1.18 0.00 0.00 1.90 1.57 -1.63 -2.70 116.57 116.89 2nup h LYS 124 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2nup h LYS 124 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2nup h LYS 124 CO -0.15 0.36 0.00 1.28 -0.57 0.00 0.00 179.45 180.37 2nup n LEU 125 N -3.93 0.00 0.00 2.94 4.77 -0.78 -2.63 117.00 117.38 2nup n LEU 125 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2nup n LEU 125 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2nup n LEU 125 CO 0.38 0.00 -0.09 -1.22 -1.33 0.00 0.00 177.39 175.13 2nup n TYR 126 N -0.86 0.00 -2.35 -1.77 4.02 -1.03 -4.73 117.16 110.45 2nup n TYR 126 Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.65 2nup n TYR 126 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.38 2nup n TYR 126 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2nup n ILE 127 N -0.79 3.32 -3.06 -0.72 5.41 -1.08 -4.79 119.36 117.64 2nup n ILE 127 Ca 0.00 -4.90 0.03 0.00 1.00 0.00 0.00 62.75 58.88 2nup n ILE 127 Cb 0.00 -1.31 -0.00 0.00 -0.71 0.00 0.00 39.64 37.62 2nup n ILE 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2nup s ASP 128 N -2.40 -0.91 0.47 4.38 -1.08 -1.26 -4.99 116.67 110.88 2nup s ASP 128 Ca 0.49 -0.17 0.12 0.00 -0.52 0.00 0.00 52.55 52.46 2nup s ASP 128 Cb 0.38 1.36 0.64 0.00 -1.46 0.00 0.00 42.92 43.84 2nup s ASP 128 CO -0.26 -0.13 1.27 0.77 0.52 0.00 0.00 175.17 177.34 2nup h SER 129 N 6.86 0.00 -2.81 -0.34 4.64 -1.95 -2.89 113.55 117.05 2nup h SER 129 Ca -0.03 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.51 2nup h SER 129 Cb 1.20 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.99 2nup h SER 129 CO 0.01 0.00 0.58 -2.11 -0.87 0.00 0.00 176.83 174.44 2nup n ARG 130 N -2.27 4.20 0.00 4.77 1.85 -1.26 -3.63 116.66 120.32 2nup n ARG 130 Ca -0.01 -4.58 0.00 0.00 -1.00 0.00 0.00 57.85 52.27 2nup n ARG 130 Cb 0.56 -2.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.50 2nup n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2nup n ALA 131 N 1.25 0.00 -0.94 2.89 0.00 -1.09 -5.18 120.51 117.44 2nup n ALA 131 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2nup n ALA 131 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2nup n ALA 131 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2nup n ARG 132 N 0.00 0.00 0.00 0.00 1.85 -1.24 -5.08 116.66 112.19 2nup n ARG 132 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2nup n ARG 132 Cb 0.00 -0.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.94 2nup n ARG 132 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2nup n ILE 148 N -1.49 0.00 -3.62 8.89 5.41 -1.25 -4.79 119.36 122.51 2nup n ILE 148 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2nup n ILE 148 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 2nup n ILE 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 2nup s MET 149 N -2.00 0.93 -0.05 0.38 1.75 -1.20 -4.95 119.30 114.15 2nup s MET 149 Ca 0.00 -0.07 0.01 0.00 -1.25 0.00 0.00 55.69 54.38 2nup s MET 149 Cb 0.00 0.43 0.02 0.00 2.84 0.00 0.00 34.83 38.11 2nup s MET 149 CO 0.00 -0.30 -0.07 0.08 -0.65 0.00 0.00 175.02 174.09 2nup s VAL 150 N -1.72 0.70 -0.13 10.11 1.01 -1.24 0.14 120.40 129.26 2nup s VAL 150 Ca -0.09 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 2nup s VAL 150 Cb -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.72 2nup s VAL 150 CO 0.04 0.26 0.53 0.00 0.00 0.00 0.00 175.10 175.93 2nup s ALA 151 N 0.86 -1.34 -0.18 5.51 0.00 -0.48 -4.99 121.76 121.15 2nup s ALA 151 Ca -0.12 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 2nup s ALA 151 Cb -0.15 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 2nup s ALA 151 CO 0.01 -0.28 1.93 -0.80 0.00 0.00 0.00 175.76 176.62 2nup s ASN 152 N -0.36 5.98 0.36 0.00 0.02 -1.26 -1.45 114.94 118.24 2nup s ASN 152 Ca -0.05 1.88 0.18 0.00 -1.02 0.00 0.00 52.86 53.86 2nup s ASN 152 Cb -0.03 -2.52 1.27 0.00 0.02 0.00 0.00 41.25 39.98 2nup s ASN 152 CO 0.04 -1.54 1.58 0.00 0.02 0.00 0.00 177.10 177.19 2nup n ILE 153 N 6.88 -0.42 0.20 0.60 3.06 -0.97 0.11 119.36 128.81 2nup n ILE 153 Ca 0.24 2.05 0.16 0.00 -2.50 0.00 0.00 62.75 62.69 2nup n ILE 153 Cb 0.45 -3.29 0.60 0.00 0.54 0.00 0.00 39.64 37.94 2nup n ILE 153 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2nup h GLU 154 N 0.00 0.00 0.00 9.51 4.39 -1.87 -2.74 114.58 123.87 2nup h GLU 154 Ca 0.82 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.52 2nup h GLU 154 Cb 2.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 2nup h GLU 154 CO -0.79 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.15 2nup n GLU 155 N -3.09 0.00 -0.22 2.33 2.13 0.30 -4.13 120.64 117.97 2nup n GLU 155 Ca 0.04 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.04 2nup n GLU 155 Cb 0.70 -0.60 0.33 0.00 0.27 0.00 0.00 31.44 32.15 2nup n GLU 155 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2nup n VAL 156 N -0.49 -0.28 0.71 6.31 0.31 -1.11 -5.13 118.33 118.65 2nup n VAL 156 Ca 0.00 1.39 0.06 0.00 -0.01 0.00 0.00 64.34 65.78 2nup n VAL 156 Cb 0.00 -2.18 0.34 0.00 -0.91 0.00 0.00 33.84 31.09 2nup n VAL 156 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69