#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy n VAL 2 N 0.00 0.12 -4.15 1.12 3.14 -1.26 -0.12 118.33 117.18 2avy n VAL 2 Ca 0.00 -0.03 -0.16 0.00 -2.96 0.00 0.00 64.34 61.19 2avy n VAL 2 Cb 0.00 -1.43 -0.06 0.00 -1.06 0.00 0.00 33.84 31.30 2avy n VAL 2 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2avy s THR 3 N 0.73 0.00 -0.39 1.55 -4.23 0.14 -1.73 115.64 111.72 2avy s THR 3 Ca 0.78 -1.74 0.12 0.00 -1.18 0.00 0.00 61.69 59.68 2avy s THR 3 Cb -0.71 -2.59 0.41 0.00 1.34 0.00 0.00 72.50 70.94 2avy s THR 3 CO 0.40 0.00 0.93 -0.38 -0.54 0.00 0.00 174.62 175.04 2avy n ILE 4 N -0.58 1.27 -0.67 2.99 -0.00 0.21 -1.54 119.36 121.04 2avy n ILE 4 Ca 0.03 -4.12 0.00 0.00 -0.00 0.00 0.00 62.75 58.66 2avy n ILE 4 Cb 0.62 -0.22 0.00 0.00 -0.00 0.00 0.00 39.64 40.04 2avy n ILE 4 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2avy n ARG 5 N -0.10 -0.41 -3.84 0.38 -4.01 -1.22 -4.27 116.66 103.20 2avy n ARG 5 Ca 0.22 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.81 2avy n ARG 5 Cb 0.70 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 30.07 2avy n ARG 5 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2avy s LEU 6 N 0.00 3.40 -0.08 2.89 1.02 -1.26 -2.40 118.68 122.25 2avy s LEU 6 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 54.13 53.41 2avy s LEU 6 Cb 0.00 -1.97 0.04 0.00 0.02 0.00 0.00 46.19 44.29 2avy s LEU 6 CO 0.00 -0.46 0.18 0.00 0.02 0.00 0.00 176.35 176.09 2avy s ALA 7 N -2.42 -0.34 -0.45 4.21 0.00 -1.18 -4.90 121.76 116.68 2avy s ALA 7 Ca 0.42 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 2avy s ALA 7 Cb -0.03 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.52 2avy s ALA 7 CO 0.26 -0.26 1.12 0.50 0.00 0.00 0.00 175.76 177.37 2avy s ARG 8 N 1.45 3.78 -0.11 0.00 3.52 -1.26 0.19 118.95 126.51 2avy s ARG 8 Ca -0.07 0.64 0.16 0.00 -0.13 0.00 0.00 55.73 56.33 2avy s ARG 8 Cb -0.11 -3.88 0.25 0.00 -1.56 0.00 0.00 34.95 29.65 2avy s ARG 8 CO -0.07 -1.29 1.13 0.72 -0.81 0.00 0.00 175.30 174.98 2avy n HIS 9 N 7.64 0.00 -2.56 5.12 8.25 -0.93 -4.93 115.22 127.80 2avy n HIS 9 Ca 0.12 -0.86 -0.10 0.00 -0.26 0.00 0.00 57.72 56.61 2avy n HIS 9 Cb 0.49 -0.14 0.05 0.00 1.12 0.00 0.00 29.99 31.51 2avy n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2avy n GLY 10 N -1.24 1.02 3.95 -1.41 0.00 -1.25 -4.70 105.19 101.57 2avy n GLY 10 Ca 0.14 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 2avy n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avy s ALA 11 N -2.80 2.98 0.34 4.61 0.00 0.85 -4.75 121.76 122.99 2avy s ALA 11 Ca 0.30 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 2avy s ALA 11 Cb -0.02 -2.46 -0.10 0.00 0.00 0.00 0.00 23.12 20.54 2avy s ALA 11 CO 0.20 -1.82 1.37 0.21 0.00 0.00 0.00 175.76 175.72 2avy s LYS 12 N -5.47 4.28 0.00 0.00 2.20 -1.26 -1.67 119.74 117.82 2avy s LYS 12 Ca 0.68 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.61 2avy s LYS 12 Cb -0.06 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2avy s LYS 12 CO 0.48 -0.31 0.00 1.63 -0.36 0.00 0.00 175.35 176.79 2avy n LYS 13 N 0.86 0.00 -3.23 4.03 5.02 -1.26 -4.75 118.16 118.83 2avy n LYS 13 Ca 0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2avy n LYS 13 Cb 0.41 -4.44 -0.08 0.00 -0.02 0.00 0.00 35.03 30.90 2avy n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2avy n ARG 14 N -2.00 0.58 -1.25 1.97 1.74 -0.67 -5.14 116.66 111.89 2avy n ARG 14 Ca 0.00 -3.18 -0.30 0.00 -0.77 0.00 0.00 57.85 53.59 2avy n ARG 14 Cb 0.00 -1.33 0.11 0.00 -1.02 0.00 0.00 32.46 30.22 2avy n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2avy s PRO 15 N -0.83 1.75 -0.45 5.56 0.04 -1.17 -0.11 135.00 139.80 2avy s PRO 15 Ca 0.34 0.96 0.05 0.00 0.04 0.00 0.00 61.00 62.40 2avy s PRO 15 Cb 0.14 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 33.00 2avy s PRO 15 CO -0.13 -1.94 0.51 0.12 0.04 0.00 0.00 177.00 175.60 2avy s PHE 16 N -2.93 -0.23 0.15 0.56 2.19 -1.26 -4.61 117.98 111.84 2avy s PHE 16 Ca 0.62 -1.38 -0.31 0.00 0.33 0.00 0.00 56.93 56.18 2avy s PHE 16 Cb -0.17 -0.33 -0.11 0.00 -1.31 0.00 0.00 43.02 41.10 2avy s PHE 16 CO 0.56 -1.04 1.73 0.71 1.83 0.00 0.00 175.22 179.01 2avy s TYR 17 N 0.59 2.60 -0.59 10.12 1.51 -1.25 -2.18 117.35 128.15 2avy s TYR 17 Ca 0.29 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.56 2avy s TYR 17 Cb -0.00 -4.10 0.15 0.00 -0.11 0.00 0.00 41.96 37.90 2avy s TYR 17 CO -0.11 -4.31 0.43 -1.14 -1.11 0.00 0.00 175.55 169.31 2avy s GLN 18 N 1.92 2.59 0.45 -0.62 2.00 0.50 -0.42 119.66 126.07 2avy s GLN 18 Ca 0.76 -2.28 -0.24 0.00 -2.00 0.00 0.00 55.36 51.60 2avy s GLN 18 Cb -0.46 -3.83 -0.09 0.00 0.80 0.00 0.00 33.01 29.43 2avy s GLN 18 CO 0.33 -1.18 1.19 0.28 -0.50 0.00 0.00 175.29 175.41 2avy n VAL 19 N 3.97 2.74 -3.64 1.34 0.31 -1.24 -3.11 118.33 118.70 2avy n VAL 19 Ca 0.04 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.78 2avy n VAL 19 Cb 0.40 -1.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.87 2avy n VAL 19 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2avy s VAL 20 N -1.25 0.00 -0.41 2.52 0.11 -1.01 -2.82 120.40 117.55 2avy s VAL 20 Ca 0.64 -0.50 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2avy s VAL 20 Cb -0.50 -1.48 0.06 0.00 -1.53 0.00 0.00 36.38 32.93 2avy s VAL 20 CO 0.56 -0.01 0.25 -0.69 -3.33 0.00 0.00 175.10 171.88 2avy s VAL 21 N -3.83 4.46 0.05 2.04 1.01 -0.86 -3.38 120.40 119.89 2avy s VAL 21 Ca 0.06 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2avy s VAL 21 Cb -0.03 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2avy s VAL 21 CO -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 175.10 174.68 2avy n ALA 22 N 4.98 0.08 -2.67 5.51 0.00 -0.59 -0.52 120.51 127.30 2avy n ALA 22 Ca -0.11 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 2avy n ALA 22 Cb 0.44 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 2avy n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2avy s ASP 23 N -1.33 6.58 0.31 0.00 -1.08 -1.26 -0.68 116.67 119.21 2avy s ASP 23 Ca 0.03 0.69 0.08 0.00 -0.52 0.00 0.00 52.55 52.83 2avy s ASP 23 Cb 0.00 -2.21 0.89 0.00 -1.46 0.00 0.00 42.92 40.15 2avy s ASP 23 CO 0.02 0.19 1.65 -1.28 0.52 0.00 0.00 175.17 176.28 2avy h SER 24 N 5.90 0.24 0.59 -0.34 0.87 -0.85 0.81 113.55 120.78 2avy h SER 24 Ca -0.46 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2avy h SER 24 Cb 1.19 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 2avy h SER 24 CO 0.69 -0.15 0.00 0.54 -0.53 0.00 0.00 176.83 177.39 2avy n ARG 25 N -5.14 0.02 -1.26 2.24 3.00 -1.26 -4.83 116.66 109.42 2avy n ARG 25 Ca 0.26 0.19 -0.32 0.00 -0.01 0.00 0.00 57.85 57.97 2avy n ARG 25 Cb 0.83 -1.50 0.10 0.00 0.00 0.00 0.00 32.46 31.89 2avy n ARG 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2avy s ASN 26 N -2.97 4.15 1.05 0.55 0.02 0.28 -5.03 114.94 112.99 2avy s ASN 26 Ca 0.09 2.08 -0.04 0.00 -1.02 0.00 0.00 52.86 53.97 2avy s ASN 26 Cb 0.12 -2.56 0.06 0.00 0.02 0.00 0.00 41.25 38.89 2avy s ASN 26 CO 0.32 -2.28 0.20 0.00 0.02 0.00 0.00 177.10 175.35 2avy n ALA 27 N -3.28 -0.68 -0.00 0.60 0.00 -1.26 -4.94 120.51 110.94 2avy n ALA 27 Ca 0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 2avy n ALA 27 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 2avy n ALA 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2avy h ARG 28 N 0.00 -0.29 -0.08 0.00 0.11 -1.96 -3.41 114.38 108.74 2avy h ARG 28 Ca -0.08 0.02 -0.16 0.00 0.10 0.00 0.00 59.98 59.86 2avy h ARG 28 Cb 0.23 0.07 -0.14 0.00 1.11 0.00 0.00 29.97 31.24 2avy h ARG 28 CO 0.05 -0.20 -0.35 0.27 0.10 0.00 0.00 179.97 179.84 2avy n ASN 29 N -5.37 -2.44 0.00 0.08 2.04 -1.26 -4.73 115.26 103.58 2avy n ASN 29 Ca -0.03 -2.75 0.00 0.00 -0.44 0.00 0.00 54.58 51.36 2avy n ASN 29 Cb 0.29 1.47 0.00 0.00 -2.53 0.00 0.00 39.78 39.00 2avy n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2avy n GLY 30 N 1.75 0.00 3.01 4.83 0.00 -1.26 -5.06 105.19 108.45 2avy n GLY 30 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2avy n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2avy s ARG 31 N -0.03 1.31 -0.09 1.61 3.00 -1.26 -5.05 118.95 118.44 2avy s ARG 31 Ca 0.00 -0.35 -0.30 0.00 -1.00 0.00 0.00 55.73 54.08 2avy s ARG 31 Cb 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 34.95 33.92 2avy s ARG 31 CO 0.00 0.06 0.98 -0.59 0.00 0.00 0.00 175.30 175.76 2avy s PHE 32 N 0.47 -0.31 -0.07 5.12 -0.71 -1.26 -4.58 117.98 116.63 2avy s PHE 32 Ca -0.09 0.33 -0.16 0.00 -1.04 0.00 0.00 56.93 55.97 2avy s PHE 32 Cb -0.13 0.50 -0.12 0.00 -1.21 0.00 0.00 43.02 42.07 2avy s PHE 32 CO 0.02 -0.41 0.60 0.82 -1.34 0.00 0.00 175.22 174.91 2avy h ILE 33 N 2.19 0.64 -2.35 -4.49 5.03 -1.16 -3.48 117.51 113.90 2avy h ILE 33 Ca -0.18 -1.19 -0.07 0.00 -0.12 0.00 0.00 64.86 63.30 2avy h ILE 33 Cb 1.20 1.14 -0.23 0.00 -3.03 0.00 0.00 36.82 35.90 2avy h ILE 33 CO 0.29 0.19 -0.09 -1.83 -0.68 0.00 0.00 178.15 176.03 2avy s GLU 34 N -2.77 0.61 -0.13 2.37 4.04 -1.18 -5.04 118.70 116.61 2avy s GLU 34 Ca -0.10 0.88 -0.29 0.00 0.04 0.00 0.00 54.97 55.50 2avy s GLU 34 Cb -0.00 0.21 -0.03 0.00 0.02 0.00 0.00 34.13 34.33 2avy s GLU 34 CO 0.35 -0.11 1.34 0.50 -1.84 0.00 0.00 175.26 175.50 2avy s ARG 35 N 0.84 4.23 -0.24 -4.83 3.52 -1.26 -2.04 118.95 119.18 2avy s ARG 35 Ca -0.04 1.78 -0.01 0.00 -0.13 0.00 0.00 55.73 57.33 2avy s ARG 35 Cb -0.05 -3.79 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 2avy s ARG 35 CO -0.07 -0.71 -0.08 0.54 -0.81 0.00 0.00 175.30 174.17 2avy s VAL 36 N 3.47 2.77 0.20 7.11 0.11 -1.13 -4.96 120.40 127.98 2avy s VAL 36 Ca 0.59 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2avy s VAL 36 Cb -0.25 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 2avy s VAL 36 CO 0.19 0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 2avy n GLY 37 N 4.66 -1.18 3.31 6.54 0.00 -1.26 -4.17 105.19 113.09 2avy n GLY 37 Ca -0.17 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2avy n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2avy s PHE 38 N -1.64 0.24 0.39 1.61 -0.12 0.90 -3.71 117.98 115.65 2avy s PHE 38 Ca 0.00 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.31 2avy s PHE 38 Cb 0.00 0.00 -0.05 0.00 -0.63 0.00 0.00 43.02 42.34 2avy s PHE 38 CO 0.00 -0.68 0.05 0.12 -0.05 0.00 0.00 175.22 174.66 2avy s PHE 39 N -3.92 2.06 -0.30 3.49 5.36 0.43 0.12 117.98 125.23 2avy s PHE 39 Ca 0.12 -0.94 -0.16 0.00 -0.96 0.00 0.00 56.93 54.98 2avy s PHE 39 Cb 0.03 -1.44 0.17 0.00 -0.34 0.00 0.00 43.02 41.44 2avy s PHE 39 CO -0.04 0.10 1.09 1.21 -1.46 0.00 0.00 175.22 176.12 2avy s ASN 40 N -3.63 -0.38 -0.55 6.13 2.47 -0.81 -3.88 114.94 114.29 2avy s ASN 40 Ca 0.29 0.54 -0.17 0.00 0.42 0.00 0.00 52.86 53.94 2avy s ASN 40 Cb 0.07 1.36 0.12 0.00 -1.45 0.00 0.00 41.25 41.35 2avy s ASN 40 CO 0.14 -0.08 0.56 -2.84 -3.72 0.00 0.00 177.10 171.16 2avy s PRO 41 N 1.99 3.01 0.00 0.43 0.02 -1.26 -4.81 135.00 134.37 2avy s PRO 41 Ca -0.04 -1.58 0.00 0.00 0.02 0.00 0.00 61.00 59.40 2avy s PRO 41 Cb -0.04 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2avy s PRO 41 CO -0.16 -1.39 0.00 -0.89 -0.33 0.00 0.00 177.00 174.24 2avy n ILE 42 N 5.34 0.00 -3.59 2.83 2.08 -1.26 -4.95 119.36 119.81 2avy n ILE 42 Ca -0.13 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.20 2avy n ILE 42 Cb 0.41 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.29 2avy n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2avy s ALA 43 N -2.00 -2.37 -0.97 -1.39 0.00 -1.26 -5.03 121.76 108.73 2avy s ALA 43 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 2avy s ALA 43 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2avy s ALA 43 CO 0.00 -0.90 0.85 0.43 0.00 0.00 0.00 175.76 176.13 2avy n SER 44 N -0.35 -4.86 -4.00 0.00 7.64 -1.26 -3.65 113.62 107.14 2avy n SER 44 Ca -0.05 -0.40 -0.38 0.00 1.01 0.00 0.00 58.87 59.05 2avy n SER 44 Cb 0.62 -3.80 0.02 0.00 -1.01 0.00 0.00 64.21 60.03 2avy n SER 44 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2avy n GLU 45 N -3.72 -0.41 -0.59 1.43 2.13 -1.26 -4.68 120.64 113.54 2avy n GLU 45 Ca -0.02 -0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.71 2avy n GLU 45 Cb 0.55 -1.79 -0.09 0.00 0.27 0.00 0.00 31.44 30.38 2avy n GLU 45 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2avy n LYS 46 N -4.18 1.22 0.00 5.31 0.00 -1.24 -4.88 118.16 114.40 2avy n LYS 46 Ca -0.10 -0.64 0.00 0.00 -0.00 0.00 0.00 58.31 57.56 2avy n LYS 46 Cb 0.46 -1.84 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 2avy n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2avy n GLU 47 N 2.83 0.00 -1.62 -1.58 -0.58 -1.26 -4.72 120.64 113.70 2avy n GLU 47 Ca 0.26 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.62 2avy n GLU 47 Cb 0.50 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.41 2avy n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2avy n GLU 48 N 0.00 1.10 0.00 3.49 4.07 -1.26 -4.89 120.64 123.14 2avy n GLU 48 Ca 0.00 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 2avy n GLU 48 Cb 0.00 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 2avy n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2avy n GLY 49 N 1.22 1.00 3.04 8.31 0.00 -1.26 -5.11 105.19 112.39 2avy n GLY 49 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2avy n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avy s THR 50 N 0.00 -0.00 -0.04 2.61 2.01 -1.26 -1.93 115.64 117.03 2avy s THR 50 Ca 0.00 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 2avy s THR 50 Cb 0.00 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.29 2avy s THR 50 CO 0.00 0.00 0.37 -0.13 -0.69 0.00 0.00 174.62 174.18 2avy s ARG 51 N 0.17 0.69 0.00 4.92 0.52 0.32 -4.92 118.95 120.65 2avy s ARG 51 Ca -0.01 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 2avy s ARG 51 Cb -0.02 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.77 2avy s ARG 51 CO -0.00 -0.19 0.00 1.28 0.02 0.00 0.00 175.30 176.41 2avy n LEU 52 N 1.45 0.00 -3.79 2.53 7.99 -1.26 -0.07 117.00 123.85 2avy n LEU 52 Ca -0.20 -0.11 -0.24 0.00 -0.01 0.00 0.00 56.01 55.45 2avy n LEU 52 Cb 0.56 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.89 2avy n LEU 52 CO 0.21 0.00 -0.13 0.47 -1.51 0.00 0.00 177.39 176.43 2avy n ASP 53 N -0.22 -1.65 -0.15 -1.43 9.92 -1.26 -4.18 116.55 117.57 2avy n ASP 53 Ca 0.00 -0.93 0.03 0.00 -0.53 0.00 0.00 54.79 53.36 2avy n ASP 53 Cb 0.00 -3.57 0.06 0.00 -0.64 0.00 0.00 41.12 36.98 2avy n ASP 53 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2avy n LEU 54 N -4.28 -0.14 -0.01 0.64 7.94 -1.26 -0.73 117.00 119.16 2avy n LEU 54 Ca -0.26 0.70 -0.11 0.00 -1.11 0.00 0.00 56.01 55.23 2avy n LEU 54 Cb 0.67 -0.22 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 2avy n LEU 54 CO 0.71 -0.68 0.63 0.44 -1.11 0.00 0.00 177.39 177.38 2avy h ASP 55 N 0.00 -1.06 0.39 1.96 5.19 -2.02 -1.81 116.42 119.06 2avy h ASP 55 Ca 0.20 0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.70 2avy h ASP 55 Cb 0.32 0.45 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 2avy h ASP 55 CO -0.42 -0.37 -0.31 -0.09 -3.12 0.00 0.00 179.24 174.93 2avy h ARG 56 N -0.41 0.00 -0.62 3.56 2.43 -1.25 -2.93 114.38 115.17 2avy h ARG 56 Ca 0.10 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2avy h ARG 56 Cb 0.56 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2avy h ARG 56 CO -0.37 0.31 0.37 0.82 -1.51 0.00 0.00 179.97 179.59 2avy h ILE 57 N 0.00 1.06 -0.59 1.20 1.08 -1.06 -3.02 117.51 116.17 2avy h ILE 57 Ca -0.00 -0.25 0.12 0.00 -0.39 0.00 0.00 64.86 64.34 2avy h ILE 57 Cb 0.59 0.27 -0.11 0.00 -3.07 0.00 0.00 36.82 34.49 2avy h ILE 57 CO 0.04 0.13 -0.12 0.00 -0.69 0.00 0.00 178.15 177.52 2avy h ALA 58 N 1.28 0.43 -0.01 1.87 0.00 -1.26 -1.64 119.26 119.93 2avy h ALA 58 Ca 0.25 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.40 2avy h ALA 58 Cb 0.04 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2avy h ALA 58 CO -0.11 -0.42 -0.40 1.25 0.00 0.00 0.00 179.25 179.57 2avy h HIS 59 N 0.02 -1.17 0.42 0.00 -0.00 -1.67 0.31 115.15 113.07 2avy h HIS 59 Ca 0.29 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.68 2avy h HIS 59 Cb 0.45 0.51 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 2avy h HIS 59 CO -0.46 -0.42 -0.23 -1.49 -0.00 0.00 0.00 177.93 175.33 2avy h TRP 60 N -0.49 -0.59 -0.59 5.26 -0.00 -1.62 -0.88 115.95 117.04 2avy h TRP 60 Ca 0.01 -0.01 0.10 0.00 -0.00 0.00 0.00 58.89 58.99 2avy h TRP 60 Cb 0.53 0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.86 2avy h TRP 60 CO -0.48 -0.36 0.40 -0.39 -0.00 0.00 0.00 178.44 177.61 2avy h VAL 61 N -0.60 0.88 -0.00 1.49 -1.51 -1.23 0.46 116.25 115.74 2avy h VAL 61 Ca -0.05 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2avy h VAL 61 Cb 0.48 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 2avy h VAL 61 CO 0.08 0.07 -0.12 0.61 -1.23 0.00 0.00 177.57 176.97 2avy n GLY 62 N -1.53 -1.23 1.08 5.19 0.00 0.11 -3.15 105.19 105.66 2avy n GLY 62 Ca 0.10 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2avy n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2avy n GLN 63 N -1.28 2.71 0.00 1.61 3.00 0.14 -4.92 117.38 118.64 2avy n GLN 63 Ca 0.11 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 2avy n GLN 63 Cb 0.30 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2avy n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2avy n GLY 64 N 1.24 0.82 3.66 1.08 0.00 -0.92 -5.03 105.19 106.04 2avy n GLY 64 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2avy n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avy s ALA 65 N -2.00 3.58 0.16 4.61 0.00 -0.02 -4.82 121.76 123.26 2avy s ALA 65 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 2avy s ALA 65 Cb 0.00 -3.79 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 2avy s ALA 65 CO 0.00 -1.50 0.67 0.99 0.00 0.00 0.00 175.76 175.91 2avy s THR 66 N 4.31 4.61 -0.13 0.00 2.01 -0.70 -4.17 115.64 121.56 2avy s THR 66 Ca 0.79 1.29 -0.03 0.00 0.31 0.00 0.00 61.69 64.05 2avy s THR 66 Cb -0.36 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2avy s THR 66 CO 0.34 0.38 -0.01 -0.51 -0.69 0.00 0.00 174.62 174.13 2avy s ILE 67 N -1.32 4.13 0.84 1.82 2.07 -1.26 -0.62 121.20 126.87 2avy s ILE 67 Ca 0.37 -0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 59.21 2avy s ILE 67 Cb -0.19 -2.79 0.10 0.00 0.13 0.00 0.00 42.46 39.71 2avy s ILE 67 CO 0.21 0.53 1.10 -0.55 -1.91 0.00 0.00 174.94 174.32 2avy s SER 68 N -0.07 3.80 0.09 4.50 0.15 -1.26 -4.79 113.70 116.13 2avy s SER 68 Ca 0.03 1.82 -0.24 0.00 0.70 0.00 0.00 55.95 58.26 2avy s SER 68 Cb -0.13 -2.45 -0.13 0.00 -1.71 0.00 0.00 66.02 61.60 2avy s SER 68 CO 0.02 -2.48 1.71 0.44 1.20 0.00 0.00 173.24 174.13 2avy h ASP 69 N -1.44 -0.20 0.58 5.45 3.32 -1.98 0.25 116.42 122.40 2avy h ASP 69 Ca -0.45 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 2avy h ASP 69 Cb 1.25 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 2avy h ASP 69 CO 0.50 -0.12 -0.45 -0.09 -1.72 0.00 0.00 179.24 177.36 2avy h ARG 70 N -0.18 -0.95 -0.67 3.56 9.65 -1.99 -0.69 114.38 123.11 2avy h ARG 70 Ca 0.00 0.06 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 2avy h ARG 70 Cb 0.17 0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 2avy h ARG 70 CO -0.02 -0.64 0.45 -0.24 2.80 0.00 0.00 179.97 182.32 2avy h VAL 71 N -0.99 0.87 -0.52 0.20 3.04 -1.86 0.02 116.25 117.01 2avy h VAL 71 Ca -0.08 -0.15 0.01 0.00 -1.01 0.00 0.00 66.70 65.47 2avy h VAL 71 Cb 0.82 0.39 -0.03 0.00 -2.01 0.00 0.00 31.29 30.46 2avy h VAL 71 CO 0.01 0.08 0.33 0.00 -1.01 0.00 0.00 177.57 176.99 2avy h ALA 72 N 1.67 0.66 -0.58 3.17 0.00 0.16 -1.50 119.26 122.84 2avy h ALA 72 Ca 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2avy h ALA 72 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2avy h ALA 72 CO -0.10 0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.29 2avy h ALA 73 N 1.20 1.02 -0.44 0.00 0.00 0.47 0.61 119.26 122.12 2avy h ALA 73 Ca 0.20 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2avy h ALA 73 Cb -0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 2avy h ALA 73 CO -0.06 0.62 0.14 -0.07 0.00 0.00 0.00 179.25 179.88 2avy h LEU 74 N 0.89 0.13 -0.04 0.00 3.38 -0.31 0.52 115.31 119.89 2avy h LEU 74 Ca 0.18 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2avy h LEU 74 Cb 0.43 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2avy h LEU 74 CO 0.01 0.11 -0.19 0.40 0.09 0.00 0.00 178.44 178.87 2avy h ILE 75 N 0.31 1.47 0.79 1.22 2.04 -1.06 -2.75 117.51 119.53 2avy h ILE 75 Ca 0.21 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 2avy h ILE 75 Cb 0.22 2.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2avy h ILE 75 CO -0.23 0.46 -0.38 0.11 0.00 0.00 0.00 178.15 178.12 2avy h LYS 76 N -0.38 -1.02 -0.59 2.37 1.79 -0.66 -3.10 116.57 114.97 2avy h LYS 76 Ca -0.01 0.07 0.11 0.00 -2.18 0.00 0.00 60.65 58.63 2avy h LYS 76 Cb 0.85 0.23 -0.08 0.00 -1.58 0.00 0.00 32.23 31.65 2avy h LYS 76 CO 0.04 -0.67 0.15 0.93 -1.08 0.00 0.00 179.45 178.82 2avy h GLU 77 N -1.11 0.28 -7.27 3.15 5.08 -0.10 -3.40 114.58 111.21 2avy h GLU 77 Ca -0.11 -0.02 -0.50 0.00 -1.00 0.00 0.00 59.36 57.73 2avy h GLU 77 Cb 0.82 -0.06 0.08 0.00 0.50 0.00 0.00 28.75 30.09 2avy h GLU 77 CO 0.18 0.18 0.37 0.54 -1.00 0.00 0.00 179.01 179.28 2avy s VAL 78 N -6.11 3.86 -0.76 3.13 0.11 -1.03 -4.85 120.40 114.76 2avy s VAL 78 Ca -0.13 0.73 -0.25 0.00 -2.93 0.00 0.00 61.98 59.40 2avy s VAL 78 Cb 0.17 -3.35 -0.16 0.00 -1.53 0.00 0.00 36.38 31.51 2avy s VAL 78 CO 0.74 -0.67 2.45 0.59 -3.33 0.00 0.00 175.10 174.88 2avy n ASN 79 N -2.66 1.16 0.02 3.54 4.13 -1.26 -4.73 115.26 115.46 2avy n ASN 79 Ca 0.08 -0.56 -0.22 0.00 1.68 0.00 0.00 54.58 55.57 2avy n ASN 79 Cb 0.53 -1.29 -0.14 0.00 -1.54 0.00 0.00 39.78 37.34 2avy n ASN 79 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2avy h LYS 80 N 15.00 0.29 0.00 3.52 3.64 -1.78 -3.40 116.57 133.84 2avy h LYS 80 Ca -0.10 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2avy h LYS 80 Cb 1.20 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2avy h LYS 80 CO 1.25 1.24 0.00 0.00 -2.27 0.00 0.00 179.45 179.67 2avy n ALA 81 N -2.96 -0.35 1.80 5.00 0.00 -1.26 -5.13 120.51 117.61 2avy n ALA 81 Ca -0.27 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.32 2avy n ALA 81 Cb 0.99 0.00 0.78 0.00 0.00 0.00 0.00 19.45 21.22 2avy n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50