#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awt s ALA 2 N 0.00 0.87 -0.29 -5.12 0.00 -1.26 -2.28 121.76 113.68 2awt s ALA 2 Ca 0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 2awt s ALA 2 Cb 0.00 -3.10 0.15 0.00 0.00 0.00 0.00 23.12 20.17 2awt s ALA 2 CO 0.00 -2.93 1.01 0.34 0.00 0.00 0.00 175.76 174.18 2awt s ASP 3 N -3.48 -0.46 0.53 0.00 2.15 -1.26 -4.74 116.67 109.40 2awt s ASP 3 Ca 0.66 0.75 0.03 0.00 0.43 0.00 0.00 52.55 54.42 2awt s ASP 3 Cb -0.18 1.16 0.03 0.00 -0.30 0.00 0.00 42.92 43.63 2awt s ASP 3 CO 0.58 -0.12 0.28 -0.62 -0.17 0.00 0.00 175.17 175.12 2awt n GLU 4 N 3.54 0.72 -3.24 4.34 -0.58 -1.26 -5.01 120.64 119.15 2awt n GLU 4 Ca -0.18 -3.45 -0.25 0.00 -0.42 0.00 0.00 57.16 52.86 2awt n GLU 4 Cb 0.57 0.54 -0.07 0.00 -0.57 0.00 0.00 31.44 31.92 2awt n GLU 4 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2awt n LYS 5 N -1.61 1.16 -1.30 3.49 4.01 -1.26 -4.90 118.16 117.75 2awt n LYS 5 Ca -0.08 -3.58 -0.31 0.00 -0.51 0.00 0.00 58.31 53.83 2awt n LYS 5 Cb 0.62 -1.47 0.09 0.00 -0.51 0.00 0.00 35.03 33.75 2awt n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2awt s PRO 6 N -1.52 2.30 -0.19 1.97 0.04 -1.26 -5.00 135.00 131.33 2awt s PRO 6 Ca 0.36 1.19 0.21 0.00 0.04 0.00 0.00 61.00 62.80 2awt s PRO 6 Cb 0.17 -1.90 0.48 0.00 0.04 0.00 0.00 34.50 33.28 2awt s PRO 6 CO -0.09 -1.62 1.15 0.36 0.04 0.00 0.00 177.00 176.84 2awt n LYS 7 N -3.43 1.53 -4.38 4.56 0.00 -1.26 -5.02 118.16 110.16 2awt n LYS 7 Ca 0.09 -3.19 -0.24 0.00 -0.00 0.00 0.00 58.31 54.97 2awt n LYS 7 Cb 0.53 -1.28 -0.09 0.00 -0.00 0.00 0.00 35.03 34.19 2awt n LYS 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2awt s GLU 8 N -2.73 1.94 0.00 -1.58 0.41 -1.26 -5.08 118.70 110.40 2awt s GLU 8 Ca 0.33 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 2awt s GLU 8 Cb 0.35 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.74 2awt s GLU 8 CO -0.07 0.36 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 2awt n GLY 9 N -0.56 2.40 3.26 -1.39 0.00 -1.26 -4.93 105.19 102.70 2awt n GLY 9 Ca -0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 2awt n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2awt s VAL 10 N 0.00 0.08 0.17 1.61 -7.23 -1.26 -4.89 120.40 108.88 2awt s VAL 10 Ca 0.00 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 2awt s VAL 10 Cb 0.00 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 2awt s VAL 10 CO 0.00 -0.38 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.74 2awt s LYS 11 N -4.00 1.17 -0.43 4.82 -0.14 -1.26 -5.04 119.74 114.86 2awt s LYS 11 Ca 0.19 -1.48 0.08 0.00 -1.36 0.00 0.00 55.97 53.41 2awt s LYS 11 Cb 0.05 -0.88 0.34 0.00 -1.68 0.00 0.00 37.83 35.66 2awt s LYS 11 CO 0.00 0.14 1.02 -2.37 -0.76 0.00 0.00 175.35 173.38 2awt n THR 12 N -0.16 -0.01 -4.31 2.17 5.66 -1.26 -5.14 114.28 111.23 2awt n THR 12 Ca -0.10 -2.43 -0.18 0.00 -3.05 0.00 0.00 64.05 58.30 2awt n THR 12 Cb 0.60 0.94 -0.09 0.00 -1.55 0.00 0.00 70.33 70.22 2awt n THR 12 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2awt s GLU 13 N -0.62 1.54 -0.79 1.09 2.02 -1.26 -5.05 118.70 115.64 2awt s GLU 13 Ca 0.27 -1.87 -0.05 0.00 0.02 0.00 0.00 54.97 53.34 2awt s GLU 13 Cb 0.32 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.56 2awt s GLU 13 CO -0.06 -0.45 2.80 0.09 0.02 0.00 0.00 175.26 177.66 2awt n ASN 14 N -0.87 7.04 -2.65 -0.19 5.03 -1.26 -4.87 115.26 117.48 2awt n ASN 14 Ca 0.02 -3.01 -0.12 0.00 0.87 0.00 0.00 54.58 52.33 2awt n ASN 14 Cb 0.65 -1.34 -0.03 0.00 -1.02 0.00 0.00 39.78 38.04 2awt n ASN 14 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2awt n ASN 15 N 1.67 -1.08 -4.80 6.41 0.23 -1.26 -5.17 115.26 111.26 2awt n ASN 15 Ca 0.56 -2.58 -0.29 0.00 -0.53 0.00 0.00 54.58 51.74 2awt n ASN 15 Cb 0.48 2.03 0.12 0.00 -2.08 0.00 0.00 39.78 40.33 2awt n ASN 15 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2awt s ASP 16 N -2.79 3.81 -0.31 0.53 1.01 -1.26 -5.01 116.67 112.65 2awt s ASP 16 Ca 0.25 0.89 0.05 0.00 0.71 0.00 0.00 52.55 54.44 2awt s ASP 16 Cb -0.01 -1.42 0.20 0.00 1.01 0.00 0.00 42.92 42.70 2awt s ASP 16 CO 0.18 -2.36 0.63 -1.38 0.21 0.00 0.00 175.17 172.45 2awt s HIS 17 N -3.39 -1.76 0.41 4.23 -3.43 -1.26 -3.06 115.29 107.04 2awt s HIS 17 Ca 0.63 0.93 0.02 0.00 -0.80 0.00 0.00 55.06 55.84 2awt s HIS 17 Cb -0.13 0.30 0.08 0.00 -1.43 0.00 0.00 32.58 31.40 2awt s HIS 17 CO 0.52 -1.04 0.57 0.44 -2.00 0.00 0.00 174.74 173.22 2awt n ILE 18 N 5.26 0.00 -4.54 -5.38 -5.35 0.79 -4.85 119.36 105.29 2awt n ILE 18 Ca 0.06 -1.02 -0.21 0.00 -0.27 0.00 0.00 62.75 61.31 2awt n ILE 18 Cb 0.55 -0.96 -0.15 0.00 -1.74 0.00 0.00 39.64 37.33 2awt n ILE 18 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2awt s ASN 19 N -3.37 1.43 0.05 7.28 2.47 -1.26 -3.02 114.94 118.53 2awt s ASN 19 Ca 0.39 -0.22 -0.05 0.00 0.42 0.00 0.00 52.86 53.40 2awt s ASN 19 Cb -0.02 -0.16 -0.02 0.00 -1.45 0.00 0.00 41.25 39.60 2awt s ASN 19 CO 0.26 0.15 0.07 -0.76 -3.72 0.00 0.00 177.10 173.09 2awt s LEU 20 N -0.30 1.96 -0.14 3.21 1.43 -1.13 -3.05 118.68 120.66 2awt s LEU 20 Ca 0.05 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 2awt s LEU 20 Cb -0.05 0.55 0.05 0.00 0.03 0.00 0.00 46.19 46.78 2awt s LEU 20 CO -0.00 -0.59 0.06 -0.54 0.23 0.00 0.00 176.35 175.51 2awt s LYS 21 N -3.34 0.23 -1.02 1.70 1.02 0.71 -2.20 119.74 116.84 2awt s LYS 21 Ca 0.01 -0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 2awt s LYS 21 Cb 0.03 -1.52 0.22 0.00 -0.52 0.00 0.00 37.83 36.03 2awt s LYS 21 CO -0.08 -0.55 1.08 0.08 -0.92 0.00 0.00 175.35 174.96 2awt s VAL 22 N 2.06 5.49 -0.19 3.17 1.01 0.94 -0.16 120.40 132.73 2awt s VAL 22 Ca 0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 61.98 59.27 2awt s VAL 22 Cb -0.15 -4.65 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 2awt s VAL 22 CO -0.07 -1.28 -0.03 0.00 0.00 0.00 0.00 175.10 173.72 2awt s ALA 23 N 0.36 2.94 0.28 5.51 0.00 -1.11 -1.16 121.76 128.58 2awt s ALA 23 Ca 0.30 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 2awt s ALA 23 Cb -0.08 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.28 2awt s ALA 23 CO -0.07 -0.10 1.12 0.20 0.00 0.00 0.00 175.76 176.91 2awt s GLY 24 N 0.92 3.06 0.66 0.00 0.00 0.83 -3.14 107.32 109.63 2awt s GLY 24 Ca 0.00 0.93 0.43 0.00 0.00 0.00 0.00 44.72 46.08 2awt s GLY 24 CO 0.01 1.54 2.33 -1.61 0.00 0.00 0.00 173.10 175.37 2awt h GLN 25 N 3.81 0.00 0.00 2.90 4.15 -1.86 -3.10 115.11 121.01 2awt h GLN 25 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2awt h GLN 25 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2awt h GLN 25 CO 0.67 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.32 2awt n ASP 26 N -3.04 0.00 -2.69 -0.69 9.92 -1.26 -4.89 116.55 113.89 2awt n ASP 26 Ca -0.03 0.34 -0.06 0.00 -0.53 0.00 0.00 54.79 54.50 2awt n ASP 26 Cb 0.09 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.33 2awt n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2awt n GLY 27 N 2.11 0.43 3.10 0.44 0.00 -1.21 -4.04 105.19 106.02 2awt n GLY 27 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2awt n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2awt s SER 28 N -0.89 1.24 -0.19 1.61 0.15 -1.18 -3.80 113.70 110.63 2awt s SER 28 Ca 0.18 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 56.25 2awt s SER 28 Cb 0.29 -0.02 0.09 0.00 -1.71 0.00 0.00 66.02 64.67 2awt s SER 28 CO -0.08 -0.10 0.39 -0.69 1.20 0.00 0.00 173.24 173.96 2awt s VAL 29 N -1.14 -0.61 0.08 4.45 1.01 -1.26 -0.12 120.40 122.80 2awt s VAL 29 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2awt s VAL 29 Cb -0.09 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2awt s VAL 29 CO 0.01 0.05 -0.09 -0.69 0.00 0.00 0.00 175.10 174.38 2awt s VAL 30 N 2.57 0.80 0.02 2.92 1.01 -0.31 -4.79 120.40 122.62 2awt s VAL 30 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2awt s VAL 30 Cb -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2awt s VAL 30 CO -0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 175.10 174.41 2awt s GLN 31 N -2.54 0.27 0.23 2.72 0.00 -1.26 -0.04 119.66 119.04 2awt s GLN 31 Ca 0.02 -0.44 -0.12 0.00 -0.00 0.00 0.00 55.36 54.82 2awt s GLN 31 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 33.01 32.94 2awt s GLN 31 CO -0.01 -0.01 0.42 -0.06 0.00 0.00 0.00 175.29 175.64 2awt s PHE 32 N -0.97 0.39 -0.13 9.60 0.08 -0.94 -4.98 117.98 121.04 2awt s PHE 32 Ca -0.10 -0.74 -0.05 0.00 0.12 0.00 0.00 56.93 56.16 2awt s PHE 32 Cb -0.07 0.11 0.06 0.00 -0.57 0.00 0.00 43.02 42.55 2awt s PHE 32 CO -0.00 -0.92 0.27 0.21 -0.10 0.00 0.00 175.22 174.68 2awt s LYS 33 N -4.01 0.15 0.22 0.44 2.47 -1.26 -2.85 119.74 114.90 2awt s LYS 33 Ca 0.22 0.76 -0.22 0.00 -1.56 0.00 0.00 55.97 55.17 2awt s LYS 33 Cb 0.01 -0.02 0.04 0.00 -1.46 0.00 0.00 37.83 36.40 2awt s LYS 33 CO 0.07 -0.28 0.67 -1.50 0.16 0.00 0.00 175.35 174.47 2awt s ILE 34 N 2.42 0.00 1.14 5.43 2.07 -1.17 -4.87 121.20 126.23 2awt s ILE 34 Ca 0.01 -0.53 -0.18 0.00 -1.41 0.00 0.00 60.65 58.55 2awt s ILE 34 Cb -0.12 -1.53 0.17 0.00 0.13 0.00 0.00 42.46 41.10 2awt s ILE 34 CO -0.09 0.00 0.24 2.29 -1.91 0.00 0.00 174.94 175.48 2awt n LYS 35 N -0.42 -2.17 0.00 3.50 2.85 -1.17 -0.15 118.16 120.60 2awt n LYS 35 Ca -0.10 -0.62 0.13 0.00 -1.05 0.00 0.00 58.31 56.67 2awt n LYS 35 Cb 0.62 -1.72 0.45 0.00 -0.65 0.00 0.00 35.03 33.72 2awt n LYS 35 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2awt n ARG 36 N -2.69 1.41 -1.84 -1.58 -4.01 -1.26 -3.98 116.66 102.71 2awt n ARG 36 Ca 0.03 -0.85 -0.24 0.00 -1.04 0.00 0.00 57.85 55.75 2awt n ARG 36 Cb 0.56 -1.48 0.04 0.00 -3.04 0.00 0.00 32.46 28.54 2awt n ARG 36 CO 0.00 0.00 0.00 -2.39 -3.04 0.00 0.00 177.63 172.20 2awt n HIS 37 N -0.06 2.69 -4.03 2.89 1.44 -1.26 -3.42 115.22 113.48 2awt n HIS 37 Ca 0.16 -2.31 -0.35 0.00 -2.01 0.00 0.00 57.72 53.21 2awt n HIS 37 Cb 0.37 -0.51 -0.08 0.00 0.12 0.00 0.00 29.99 29.88 2awt n HIS 37 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2awt s THR 38 N -4.56 4.98 -0.13 0.61 2.01 -1.26 -5.06 115.64 112.24 2awt s THR 38 Ca 0.53 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 2awt s THR 38 Cb 0.42 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2awt s THR 38 CO 0.03 0.55 1.54 -2.16 -0.69 0.00 0.00 174.62 173.89 2awt s PRO 39 N -0.42 4.09 0.62 4.92 0.04 -1.26 -4.74 135.00 138.26 2awt s PRO 39 Ca 0.10 1.91 0.28 0.00 0.04 0.00 0.00 61.00 63.34 2awt s PRO 39 Cb -0.12 -3.94 1.46 0.00 0.04 0.00 0.00 34.50 31.94 2awt s PRO 39 CO 0.02 -0.93 1.86 -0.07 0.04 0.00 0.00 177.00 177.91 2awt h LEU 40 N 10.49 0.00 -0.25 -3.56 3.38 -1.85 -2.34 115.31 121.18 2awt h LEU 40 Ca -0.34 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.67 2awt h LEU 40 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2awt h LEU 40 CO 0.97 0.00 -0.51 -1.28 0.09 0.00 0.00 178.44 177.71 2awt h SER 41 N 0.00 -1.67 -0.87 -0.43 0.87 -1.89 0.34 113.55 109.90 2awt h SER 41 Ca 0.14 0.21 0.25 0.00 -1.23 0.00 0.00 61.79 61.16 2awt h SER 41 Cb 1.07 0.67 -0.03 0.00 -0.44 0.00 0.00 62.40 63.67 2awt h SER 41 CO -0.00 -0.44 0.63 0.07 -0.53 0.00 0.00 176.83 176.56 2awt h LYS 42 N -0.48 0.00 0.19 2.24 2.10 -1.83 0.24 116.57 119.03 2awt h LYS 42 Ca 0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2awt h LYS 42 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2awt h LYS 42 CO -0.50 0.00 -0.09 1.25 -2.00 0.00 0.00 179.45 178.11 2awt h LEU 43 N 0.00 -0.22 -0.50 7.07 7.12 -0.56 -2.91 115.31 125.32 2awt h LEU 43 Ca 0.41 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.52 2awt h LEU 43 Cb 1.68 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 41.79 2awt h LEU 43 CO -0.00 0.09 0.10 0.00 -0.13 0.00 0.00 178.44 178.49 2awt h MET 44 N -0.74 0.23 -0.19 1.25 -0.00 -0.40 -0.70 114.93 114.38 2awt h MET 44 Ca -0.03 -0.01 0.05 0.00 -0.00 0.00 0.00 59.70 59.71 2awt h MET 44 Cb 0.20 -0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 31.67 2awt h MET 44 CO 0.04 0.15 -0.32 -0.22 -0.00 0.00 0.00 176.91 176.56 2awt h LYS 45 N 0.24 -0.35 -0.55 -0.10 1.63 -0.68 -0.61 116.57 116.14 2awt h LYS 45 Ca 0.25 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2awt h LYS 45 Cb 0.34 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 2awt h LYS 45 CO -0.33 -0.23 0.36 0.00 -3.45 0.00 0.00 179.45 175.80 2awt h ALA 46 N 0.49 1.60 0.03 5.00 0.00 -1.22 -2.95 119.26 122.22 2awt h ALA 46 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2awt h ALA 46 Cb 0.54 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2awt h ALA 46 CO -0.39 0.37 -0.28 -0.92 0.00 0.00 0.00 179.25 178.03 2awt h TYR 47 N 0.75 -0.80 -0.75 0.00 5.03 0.41 -2.05 116.97 119.55 2awt h TYR 47 Ca 0.20 0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.69 2awt h TYR 47 Cb -0.08 0.35 -0.10 0.00 1.55 0.00 0.00 36.73 38.44 2awt h TYR 47 CO 0.00 -0.30 0.26 0.00 -1.32 0.00 0.00 178.16 176.80 2awt h GLU 49 N 0.38 0.24 0.00 0.00 4.57 -1.22 0.26 114.58 118.81 2awt h GLU 49 Ca 0.42 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2awt h GLU 49 Cb 0.68 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2awt h GLU 49 CO -0.44 0.16 0.00 -2.13 -1.18 0.00 0.00 179.01 175.42 2awt n ARG 50 N -4.44 0.00 -3.37 1.92 0.63 0.66 -4.70 116.66 107.35 2awt n ARG 50 Ca 0.21 0.32 -0.27 0.00 -0.92 0.00 0.00 57.85 57.19 2awt n ARG 50 Cb 0.88 -0.81 -0.08 0.00 0.45 0.00 0.00 32.46 32.90 2awt n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2awt n GLN 51 N -1.51 2.50 -2.04 -0.14 10.64 -0.87 -4.99 117.38 120.98 2awt n GLN 51 Ca 0.00 -4.62 -0.42 0.00 -1.83 0.00 0.00 57.00 50.13 2awt n GLN 51 Cb 0.00 -2.21 0.00 0.00 -0.86 0.00 0.00 30.24 27.17 2awt n GLN 51 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2awt n GLY 52 N 0.79 4.61 0.10 2.61 0.00 0.91 -4.56 105.19 109.64 2awt n GLY 52 Ca 0.30 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.48 2awt n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2awt h LEU 53 N 8.83 0.00 -5.62 0.99 3.38 -1.94 -3.43 115.31 117.53 2awt h LEU 53 Ca 0.48 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.10 2awt h LEU 53 Cb 0.63 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.12 2awt h LEU 53 CO 1.75 0.48 -0.71 -1.54 0.09 0.00 0.00 178.44 178.51 2awt n SER 54 N -2.86 -2.12 0.31 -0.43 3.41 -1.26 -4.98 113.62 105.68 2awt n SER 54 Ca -0.08 -2.67 0.19 0.00 -0.26 0.00 0.00 58.87 56.05 2awt n SER 54 Cb 0.79 0.71 1.04 0.00 -0.26 0.00 0.00 64.21 66.49 2awt n SER 54 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2awt h MET 55 N 5.28 0.00 -0.44 4.33 4.05 -1.93 0.25 114.93 126.47 2awt h MET 55 Ca 0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 2awt h MET 55 Cb 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2awt h MET 55 CO 0.17 0.00 0.00 0.54 0.23 0.00 0.00 176.91 177.85 2awt n ARG 56 N -3.46 2.05 0.00 0.39 1.74 -1.26 -4.11 116.66 112.01 2awt n ARG 56 Ca -0.02 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 2awt n ARG 56 Cb 0.12 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2awt n ARG 56 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2awt n GLN 57 N 0.60 0.01 -1.65 5.56 1.13 0.71 -5.04 117.38 118.70 2awt n GLN 57 Ca 0.13 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 2awt n GLN 57 Cb 0.38 -0.79 -0.03 0.00 0.11 0.00 0.00 30.24 29.92 2awt n GLN 57 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2awt n ILE 58 N -2.07 0.72 -3.87 5.09 2.08 -0.14 -4.47 119.36 116.70 2awt n ILE 58 Ca 0.00 -0.19 -0.10 0.00 0.56 0.00 0.00 62.75 63.02 2awt n ILE 58 Cb 0.29 -2.36 0.01 0.00 -0.75 0.00 0.00 39.64 36.82 2awt n ILE 58 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2awt s ARG 59 N 4.74 2.18 -0.13 0.38 0.52 -1.24 -4.96 118.95 120.43 2awt s ARG 59 Ca 0.91 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2awt s ARG 59 Cb -0.42 0.58 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 2awt s ARG 59 CO 0.41 -1.00 -0.09 -0.06 0.02 0.00 0.00 175.30 174.58 2awt s PHE 60 N -2.44 2.89 -0.14 -0.53 0.08 -1.26 -3.04 117.98 113.54 2awt s PHE 60 Ca 0.19 -0.46 -0.07 0.00 0.12 0.00 0.00 56.93 56.70 2awt s PHE 60 Cb -0.04 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.59 2awt s PHE 60 CO 0.14 -0.10 0.33 0.50 -0.10 0.00 0.00 175.22 175.99 2awt s ARG 61 N 0.25 0.30 0.20 0.44 6.06 -0.97 -3.80 118.95 121.43 2awt s ARG 61 Ca -0.06 0.67 0.08 0.00 -2.50 0.00 0.00 55.73 53.91 2awt s ARG 61 Cb -0.15 -0.07 -0.04 0.00 0.06 0.00 0.00 34.95 34.75 2awt s ARG 61 CO 0.04 -0.16 0.02 0.12 -2.50 0.00 0.00 175.30 172.82 2awt s PHE 62 N 1.35 2.84 -1.22 5.12 5.36 -1.19 -0.89 117.98 129.35 2awt s PHE 62 Ca -0.09 -0.15 -0.08 0.00 -0.96 0.00 0.00 56.93 55.64 2awt s PHE 62 Cb -0.09 -1.34 -0.08 0.00 -0.34 0.00 0.00 43.02 41.16 2awt s PHE 62 CO -0.11 0.54 2.64 -3.47 -1.46 0.00 0.00 175.22 173.36 2awt n ASP 63 N -0.39 6.93 0.00 6.13 2.03 -1.26 -3.04 116.55 126.94 2awt n ASP 63 Ca -0.09 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.77 2awt n ASP 63 Cb 0.56 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 2awt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awt n GLY 64 N 3.57 0.04 3.53 0.27 0.00 -1.26 -5.16 105.19 106.19 2awt n GLY 64 Ca 0.62 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.55 2awt n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2awt s GLN 65 N -0.57 0.78 1.16 1.61 -0.21 -1.17 -5.18 119.66 116.08 2awt s GLN 65 Ca 0.00 -0.30 -0.18 0.00 0.02 0.00 0.00 55.36 54.90 2awt s GLN 65 Cb 0.00 0.35 0.26 0.00 1.00 0.00 0.00 33.01 34.62 2awt s GLN 65 CO 0.00 -0.34 1.11 -1.25 -2.12 0.00 0.00 175.29 172.68 2awt s PRO 66 N -3.04 -0.84 -0.08 2.91 0.04 -1.26 -3.17 135.00 129.55 2awt s PRO 66 Ca 0.06 0.07 -0.04 0.00 0.04 0.00 0.00 61.00 61.13 2awt s PRO 66 Cb -0.01 -1.63 0.04 0.00 0.04 0.00 0.00 34.50 32.94 2awt s PRO 66 CO -0.08 -3.49 0.18 0.42 0.04 0.00 0.00 177.00 174.08 2awt s ILE 67 N -3.00 -0.04 0.42 0.56 1.01 -1.25 -4.83 121.20 114.07 2awt s ILE 67 Ca 0.70 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.58 2awt s ILE 67 Cb -0.12 -0.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.99 2awt s ILE 67 CO 0.56 0.07 0.08 0.20 0.00 0.00 0.00 174.94 175.85 2awt s ASN 68 N 1.17 4.10 0.53 3.58 0.01 -1.26 -4.72 114.94 118.34 2awt s ASN 68 Ca -0.09 -1.27 0.31 0.00 -0.71 0.00 0.00 52.86 51.10 2awt s ASN 68 Cb -0.11 -0.39 1.40 0.00 0.41 0.00 0.00 41.25 42.56 2awt s ASN 68 CO -0.07 -0.50 2.02 1.05 -1.51 0.00 0.00 177.10 178.09 2awt h GLU 69 N 1.62 0.00 -0.90 -0.60 9.09 -2.00 -2.40 114.58 119.39 2awt h GLU 69 Ca -0.43 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.64 2awt h GLU 69 Cb 1.25 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 28.15 2awt h GLU 69 CO 0.76 0.10 0.42 -2.37 0.05 0.00 0.00 179.01 177.97 2awt n THR 70 N -3.33 2.78 -4.73 -1.06 5.66 -1.26 -4.74 114.28 107.60 2awt n THR 70 Ca -0.01 -1.55 -0.31 0.00 -3.05 0.00 0.00 64.05 59.13 2awt n THR 70 Cb 0.29 -0.48 -0.17 0.00 -1.55 0.00 0.00 70.33 68.42 2awt n THR 70 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2awt s ASP 71 N -0.91 2.89 0.20 1.09 1.11 -0.90 -5.13 116.67 115.01 2awt s ASP 71 Ca 0.49 -0.54 0.01 0.00 0.18 0.00 0.00 52.55 52.69 2awt s ASP 71 Cb 0.40 -1.33 -0.04 0.00 1.07 0.00 0.00 42.92 43.03 2awt s ASP 71 CO 0.11 0.08 0.36 0.42 1.18 0.00 0.00 175.17 177.31 2awt s THR 72 N 0.76 5.25 -1.05 -1.27 -4.23 -1.26 -4.74 115.64 109.10 2awt s THR 72 Ca -0.10 -0.58 0.14 0.00 -1.18 0.00 0.00 61.69 59.98 2awt s THR 72 Cb -0.16 -3.76 0.13 0.00 1.34 0.00 0.00 72.50 70.05 2awt s THR 72 CO 0.01 -0.19 1.45 -0.81 -0.54 0.00 0.00 174.62 174.53 2awt n PRO 73 N -0.80 0.03 0.09 3.99 -0.04 -1.26 -2.64 135.00 134.36 2awt n PRO 73 Ca -0.06 0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 2awt n PRO 73 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 2awt n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2awt h ALA 74 N 2.51 0.23 -0.58 0.55 0.00 -1.94 -3.04 119.26 116.99 2awt h ALA 74 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2awt h ALA 74 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2awt h ALA 74 CO 0.00 0.86 0.00 1.04 0.00 0.00 0.00 179.25 181.15 2awt n GLN 75 N -3.67 3.90 -0.00 0.00 1.13 -1.08 -4.16 117.38 113.50 2awt n GLN 75 Ca -0.08 -2.92 0.02 0.00 -1.94 0.00 0.00 57.00 52.08 2awt n GLN 75 Cb 0.92 -1.95 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 2awt n GLN 75 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2awt n LEU 76 N 0.83 0.03 -2.97 1.08 7.99 -1.17 -4.98 117.00 117.82 2awt n LEU 76 Ca 0.25 -0.08 -0.20 0.00 -0.01 0.00 0.00 56.01 55.98 2awt n LEU 76 Cb 0.94 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 44.31 2awt n LEU 76 CO 0.24 0.01 0.17 -0.62 -1.51 0.00 0.00 177.39 175.68 2awt n GLU 77 N -1.54 -6.14 -3.27 3.23 1.02 -1.15 -4.95 120.64 107.85 2awt n GLU 77 Ca -0.00 0.70 -0.40 0.00 -0.02 0.00 0.00 57.16 57.43 2awt n GLU 77 Cb 0.09 -5.31 -0.02 0.00 -0.02 0.00 0.00 31.44 26.18 2awt n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2awt n MET 78 N -4.10 3.65 -1.50 3.49 0.00 -1.23 -4.98 117.12 112.45 2awt n MET 78 Ca -0.01 -4.53 0.00 0.00 0.00 0.00 0.00 57.70 53.16 2awt n MET 78 Cb 0.56 -2.47 0.00 0.00 0.00 0.00 0.00 33.22 31.31 2awt n MET 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2awt n GLU 79 N 1.83 0.02 -3.32 3.17 1.02 -1.26 -4.76 120.64 117.33 2awt n GLU 79 Ca 0.25 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.22 2awt n GLU 79 Cb 0.36 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.86 2awt n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2awt n ASP 80 N -2.23 -3.91 -3.01 1.62 8.00 -1.26 -2.99 116.55 112.77 2awt n ASP 80 Ca 0.00 -0.49 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 2awt n ASP 80 Cb 0.00 -4.37 0.07 0.00 -0.02 0.00 0.00 41.12 36.80 2awt n ASP 80 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2awt n GLU 81 N -3.99 -5.71 -1.27 -1.24 1.02 -1.18 -4.99 120.64 103.29 2awt n GLU 81 Ca -0.12 0.70 -0.29 0.00 -0.02 0.00 0.00 57.16 57.43 2awt n GLU 81 Cb 0.60 -5.28 0.14 0.00 -0.02 0.00 0.00 31.44 26.88 2awt n GLU 81 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2awt s ASP 82 N -3.93 3.39 -0.32 1.62 1.01 -1.16 -4.81 116.67 112.47 2awt s ASP 82 Ca 0.11 1.35 -0.01 0.00 0.71 0.00 0.00 52.55 54.70 2awt s ASP 82 Cb -0.05 -2.03 0.11 0.00 1.01 0.00 0.00 42.92 41.96 2awt s ASP 82 CO 0.60 -2.67 0.13 -0.89 0.21 0.00 0.00 175.17 172.55 2awt s THR 83 N -3.00 0.67 -0.17 -1.27 2.01 -1.26 -0.21 115.64 112.41 2awt s THR 83 Ca 0.64 -1.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 2awt s THR 83 Cb -0.17 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 2awt s THR 83 CO 0.56 -0.73 0.59 -0.63 -0.69 0.00 0.00 174.62 173.72 2awt s ILE 84 N 1.56 5.06 -0.06 1.82 1.01 0.78 -4.81 121.20 126.57 2awt s ILE 84 Ca 0.11 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 2awt s ILE 84 Cb -0.18 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2awt s ILE 84 CO -0.23 0.17 1.30 -1.81 0.00 0.00 0.00 174.94 174.37 2awt s ASP 85 N 1.06 6.95 0.21 3.58 1.01 -0.06 -2.75 116.67 126.66 2awt s ASP 85 Ca 0.28 1.91 -0.08 0.00 0.71 0.00 0.00 52.55 55.38 2awt s ASP 85 Cb -0.16 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.15 2awt s ASP 85 CO 0.11 -0.68 0.49 0.54 0.21 0.00 0.00 175.17 175.85 2awt s VAL 86 N 2.59 5.02 -0.39 -1.27 0.11 -1.19 -2.30 120.40 122.96 2awt s VAL 86 Ca 0.59 0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 59.76 2awt s VAL 86 Cb -0.27 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 2awt s VAL 86 CO 0.22 -0.06 0.41 0.12 -3.33 0.00 0.00 175.10 172.47 2awt s PHE 87 N -1.79 3.18 0.17 1.54 2.19 -1.17 -4.08 117.98 118.02 2awt s PHE 87 Ca 0.45 -0.26 -0.05 0.00 0.33 0.00 0.00 56.93 57.41 2awt s PHE 87 Cb -0.11 -2.82 -0.03 0.00 -1.31 0.00 0.00 43.02 38.75 2awt s PHE 87 CO 0.23 -0.61 0.19 -1.14 1.83 0.00 0.00 175.22 175.71 2awt s GLN 88 N 2.10 1.12 -0.06 10.12 0.74 -1.26 -2.95 119.66 129.46 2awt s GLN 88 Ca 0.12 -1.38 0.09 0.00 0.05 0.00 0.00 55.36 54.24 2awt s GLN 88 Cb -0.17 0.31 -0.13 0.00 1.10 0.00 0.00 33.01 34.12 2awt s GLN 88 CO 0.13 -0.38 0.10 0.00 -0.55 0.00 0.00 175.29 174.60 2awt n GLN 89 N -0.20 1.65 -2.57 1.67 -0.00 -1.26 -4.97 117.38 111.70 2awt n GLN 89 Ca -0.04 -0.04 -0.34 0.00 -0.00 0.00 0.00 57.00 56.58 2awt n GLN 89 Cb 0.64 -1.24 -0.04 0.00 -0.00 0.00 0.00 30.24 29.59 2awt n GLN 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2awt s GLN 90 N -2.41 3.93 -0.27 2.61 2.00 -1.26 -5.06 119.66 119.19 2awt s GLN 90 Ca -0.04 1.37 -0.23 0.00 -2.00 0.00 0.00 55.36 54.45 2awt s GLN 90 Cb 0.04 -2.21 0.07 0.00 0.80 0.00 0.00 33.01 31.72 2awt s GLN 90 CO 0.40 -0.32 0.71 0.99 -0.50 0.00 0.00 175.29 176.57 2awt s THR 91 N -1.92 -0.00 0.00 -0.34 2.01 -1.26 -4.67 115.64 109.45 2awt s THR 91 Ca 0.65 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.65 2awt s THR 91 Cb -0.17 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2awt s THR 91 CO 0.21 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2awt n GLY 92 N 2.94 0.19 0.00 4.40 0.00 -1.23 -4.75 105.19 106.75 2awt n GLY 92 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2awt n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2awt n GLY 93 N -1.05 0.72 3.05 -0.02 0.00 -0.97 -4.99 105.19 101.94 2awt n GLY 93 Ca 0.00 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 2awt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awt s VAL 94 N 0.00 0.97 -2.03 1.61 1.01 -1.26 -4.84 120.40 115.86 2awt s VAL 94 Ca 0.00 -0.48 0.32 0.00 0.00 0.00 0.00 61.98 61.82 2awt s VAL 94 Cb 0.00 -0.84 0.89 0.00 0.00 0.00 0.00 36.38 36.43 2awt s VAL 94 CO 0.00 0.29 2.20 0.00 0.00 0.00 0.00 175.10 177.59