#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s LEU 10 N 0.00 4.36 -0.39 -1.84 1.43 -1.26 -4.56 118.68 116.42 2avy s LEU 10 Ca 0.00 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.04 2avy s LEU 10 Cb 0.00 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.51 2avy s LEU 10 CO 0.00 0.08 0.20 -1.58 0.23 0.00 0.00 176.35 175.28 2avy s GLN 11 N 0.05 2.37 0.53 1.70 0.74 0.30 -4.90 119.66 120.44 2avy s GLN 11 Ca 0.28 -1.55 -0.14 0.00 0.05 0.00 0.00 55.36 54.01 2avy s GLN 11 Cb -0.17 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.27 2avy s GLN 11 CO 0.14 -0.94 0.96 -1.21 -0.55 0.00 0.00 175.29 173.69 2avy s GLU 12 N 1.30 3.81 -0.17 1.67 2.02 -1.26 -2.46 118.70 123.61 2avy s GLU 12 Ca 0.03 0.79 -0.06 0.00 0.02 0.00 0.00 54.97 55.75 2avy s GLU 12 Cb -0.22 -2.17 0.08 0.00 0.10 0.00 0.00 34.13 31.91 2avy s GLU 12 CO -0.01 -0.31 0.35 0.21 0.02 0.00 0.00 175.26 175.52 2avy s LYS 13 N -4.38 0.25 -0.66 1.61 2.20 0.86 -4.96 119.74 114.67 2avy s LYS 13 Ca 0.56 0.89 -0.27 0.00 -0.36 0.00 0.00 55.97 56.79 2avy s LYS 13 Cb -0.10 0.16 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2avy s LYS 13 CO 0.38 -0.26 1.23 -1.17 -0.36 0.00 0.00 175.35 175.17 2avy s LEU 14 N 2.42 3.34 0.01 5.43 1.98 -1.26 -1.29 118.68 129.31 2avy s LEU 14 Ca -0.01 -0.21 -0.05 0.00 -2.89 0.00 0.00 54.13 50.97 2avy s LEU 14 Cb -0.12 -2.84 -0.03 0.00 0.66 0.00 0.00 46.19 43.87 2avy s LEU 14 CO -0.11 -1.66 1.08 0.40 -1.89 0.00 0.00 176.35 174.17 2avy h ILE 15 N 6.09 0.00 -1.98 6.68 1.08 -1.43 -3.49 117.51 124.46 2avy h ILE 15 Ca -0.27 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.41 2avy h ILE 15 Cb 1.05 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.68 2avy h ILE 15 CO 1.23 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 179.31 2avy s ALA 16 N -3.46 -1.90 -0.04 1.87 0.00 -1.22 -5.00 121.76 112.01 2avy s ALA 16 Ca -0.03 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 2avy s ALA 16 Cb 0.00 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.55 2avy s ALA 16 CO 0.08 -0.87 0.06 0.54 0.00 0.00 0.00 175.76 175.57 2avy s VAL 17 N -2.90 -0.09 0.38 0.00 0.11 -1.26 -0.49 120.40 116.14 2avy s VAL 17 Ca 0.10 0.31 0.07 0.00 -2.93 0.00 0.00 61.98 59.54 2avy s VAL 17 Cb 0.00 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 2avy s VAL 17 CO -0.03 0.13 0.38 0.20 -3.33 0.00 0.00 175.10 172.45 2avy s ASN 18 N 1.61 5.33 -0.14 3.54 -0.87 -1.26 -4.83 114.94 118.33 2avy s ASN 18 Ca -0.02 -0.54 -0.09 0.00 -1.57 0.00 0.00 52.86 50.63 2avy s ASN 18 Cb -0.12 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.25 40.25 2avy s ASN 18 CO -0.03 -0.53 -0.12 -0.09 -2.57 0.00 0.00 177.10 173.76 2avy h ARG 19 N 1.04 0.00 -2.16 -0.60 2.43 -1.93 0.11 114.38 113.28 2avy h ARG 19 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2avy h ARG 19 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2avy h ARG 19 CO 0.55 0.09 -0.55 0.28 -1.51 0.00 0.00 179.97 178.83 2avy n VAL 20 N -4.62 -2.42 -3.99 0.20 0.31 -1.26 -1.86 118.33 104.69 2avy n VAL 20 Ca -0.08 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 2avy n VAL 20 Cb 0.27 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 2avy n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2avy n SER 21 N -1.66 1.00 -3.15 4.52 7.64 -1.26 -2.23 113.62 118.48 2avy n SER 21 Ca 0.00 -0.99 0.05 0.00 1.01 0.00 0.00 58.87 58.94 2avy n SER 21 Cb 0.17 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 2avy n SER 21 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2avy s LYS 22 N -1.97 0.19 0.11 1.43 2.20 0.22 -4.88 119.74 117.03 2avy s LYS 22 Ca 0.00 0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 2avy s LYS 22 Cb 0.00 0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 2avy s LYS 22 CO 0.00 -0.24 0.91 0.99 -0.36 0.00 0.00 175.35 176.65 2avy s THR 23 N 2.95 4.50 0.31 3.43 2.01 -1.26 -0.82 115.64 126.76 2avy s THR 23 Ca 0.06 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.06 2avy s THR 23 Cb -0.08 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2avy s THR 23 CO -0.14 0.36 0.33 1.33 -0.69 0.00 0.00 174.62 175.81 2avy n VAL 24 N 2.60 0.00 0.00 3.82 0.24 -0.11 -4.97 118.33 119.91 2avy n VAL 24 Ca 0.01 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 2avy n VAL 24 Cb 0.49 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2avy n VAL 24 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2avy n LYS 25 N -0.56 0.00 -0.06 7.34 0.00 -1.26 -2.65 118.16 120.97 2avy n LYS 25 Ca 0.05 0.64 -0.04 0.00 0.00 0.00 0.00 58.31 58.96 2avy n LYS 25 Cb 0.55 -1.10 -0.03 0.00 0.00 0.00 0.00 35.03 34.45 2avy n LYS 25 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2avy h GLY 26 N 0.00 -1.82 0.00 3.14 0.00 -2.02 -3.47 103.07 98.91 2avy h GLY 26 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 47.33 48.20 2avy h GLY 26 CO 0.00 -0.61 0.00 0.61 0.00 0.00 0.00 176.54 176.54 2avy n GLY 27 N -1.10 0.88 3.52 4.60 0.00 -1.08 -5.16 105.19 106.85 2avy n GLY 27 Ca -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 2avy n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2avy s ARG 28 N 1.49 0.54 0.31 1.61 3.52 -1.26 -0.94 118.95 124.22 2avy s ARG 28 Ca 0.00 1.22 0.06 0.00 -0.13 0.00 0.00 55.73 56.88 2avy s ARG 28 Cb 0.00 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.80 2avy s ARG 28 CO 0.00 -0.19 0.39 0.96 -0.81 0.00 0.00 175.30 175.65 2avy s ILE 29 N 2.27 4.26 0.12 4.11 -4.36 0.00 -4.91 121.20 122.69 2avy s ILE 29 Ca -0.07 -1.10 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 2avy s ILE 29 Cb -0.09 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 2avy s ILE 29 CO -0.17 -0.21 -0.12 -0.36 0.24 0.00 0.00 174.94 174.32 2avy s PHE 30 N -2.15 1.24 -0.34 1.37 0.40 -1.26 -0.61 117.98 116.62 2avy s PHE 30 Ca 0.41 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2avy s PHE 30 Cb -0.09 -0.65 0.18 0.00 0.51 0.00 0.00 43.02 42.98 2avy s PHE 30 CO 0.29 0.08 0.56 0.45 0.70 0.00 0.00 175.22 177.30 2avy s SER 31 N -2.58 -1.05 0.76 1.36 0.15 -0.95 -4.76 113.70 106.64 2avy s SER 31 Ca 0.09 -0.37 -0.16 0.00 0.70 0.00 0.00 55.95 56.21 2avy s SER 31 Cb -0.03 1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 65.98 2avy s SER 31 CO 0.01 -0.26 0.38 0.49 1.20 0.00 0.00 173.24 175.06 2avy n PHE 32 N 4.98 -1.31 0.00 3.44 3.72 -0.78 -4.46 117.46 123.05 2avy n PHE 32 Ca 0.07 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 2avy n PHE 32 Cb 0.54 -1.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 2avy n PHE 32 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2avy n THR 33 N -2.50 0.00 0.00 4.37 -2.24 0.39 -2.43 114.28 111.88 2avy n THR 33 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2avy n THR 33 Cb 0.51 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2avy n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2avy n ALA 34 N -2.58 -0.71 -2.59 6.98 0.00 -1.26 -4.25 120.51 116.10 2avy n ALA 34 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2avy n ALA 34 Cb 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 19.45 19.06 2avy n ALA 34 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2avy s LEU 35 N -0.90 2.01 -0.01 0.00 0.20 0.36 -3.54 118.68 116.81 2avy s LEU 35 Ca 0.00 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.46 2avy s LEU 35 Cb 0.00 -1.03 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 2avy s LEU 35 CO 0.00 0.22 -0.03 0.42 -0.29 0.00 0.00 176.35 176.67 2avy s THR 36 N -0.30 0.25 -0.07 3.68 -4.23 -0.10 -0.98 115.64 113.89 2avy s THR 36 Ca 0.04 -0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 2avy s THR 36 Cb -0.09 -0.24 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 2avy s THR 36 CO 0.00 0.09 -0.11 0.68 -0.54 0.00 0.00 174.62 174.74 2avy s VAL 37 N 0.13 3.30 0.07 2.29 -7.23 -0.41 0.18 120.40 118.73 2avy s VAL 37 Ca -0.01 -0.62 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2avy s VAL 37 Cb -0.04 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2avy s VAL 37 CO -0.00 0.58 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.57 2avy s VAL 38 N -0.55 0.83 0.00 1.32 1.01 -1.21 -0.10 120.40 121.70 2avy s VAL 38 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2avy s VAL 38 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2avy s VAL 38 CO 0.02 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.30 2avy n GLY 39 N 1.04 -0.94 3.35 4.51 0.00 -1.03 -2.28 105.19 109.84 2avy n GLY 39 Ca -0.20 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 2avy n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2avy s ASP 40 N 0.00 2.94 0.00 1.61 3.84 0.78 -0.54 116.67 125.31 2avy s ASP 40 Ca 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 52.55 51.76 2avy s ASP 40 Cb 0.00 -0.19 0.00 0.00 -1.38 0.00 0.00 42.92 41.35 2avy s ASP 40 CO 0.00 0.07 0.54 0.61 -0.00 0.00 0.00 175.17 176.40 2avy n GLY 41 N 0.65 1.01 0.87 2.12 0.00 -1.23 -3.06 105.19 105.55 2avy n GLY 41 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 2avy n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2avy n ASN 42 N 1.69 1.15 0.00 1.61 2.85 -1.24 -4.59 115.26 116.73 2avy n ASN 42 Ca 0.00 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 2avy n ASN 42 Cb 0.15 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.79 2avy n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2avy n GLY 43 N 3.13 0.00 2.91 8.20 0.00 -0.44 -4.73 105.19 114.26 2avy n GLY 43 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2avy n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avy s ARG 44 N 0.00 0.61 0.20 1.61 3.00 -1.24 0.10 118.95 123.23 2avy s ARG 44 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 55.73 55.60 2avy s ARG 44 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 34.95 34.32 2avy s ARG 44 CO 0.00 -0.00 0.26 1.33 0.00 0.00 0.00 175.30 176.89 2avy n VAL 45 N 3.60 0.00 0.00 3.52 0.24 -1.00 -2.43 118.33 122.25 2avy n VAL 45 Ca -0.21 -1.04 0.00 0.00 -2.04 0.00 0.00 64.34 61.06 2avy n VAL 45 Cb 0.54 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2avy n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2avy n GLY 46 N -0.33 1.55 3.60 7.63 0.00 -0.97 0.57 105.19 117.24 2avy n GLY 46 Ca 0.01 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2avy n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2avy s PHE 47 N 0.00 0.95 -0.01 1.61 -0.71 -1.26 -3.31 117.98 115.25 2avy s PHE 47 Ca 0.00 0.67 -0.11 0.00 -1.04 0.00 0.00 56.93 56.45 2avy s PHE 47 Cb 0.00 -3.36 0.01 0.00 -1.21 0.00 0.00 43.02 38.47 2avy s PHE 47 CO 0.00 -3.66 0.22 0.20 -1.34 0.00 0.00 175.22 170.64 2avy s GLY 48 N -3.67 -0.06 -0.18 1.99 0.00 0.47 -4.19 107.32 101.68 2avy s GLY 48 Ca 0.69 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 2avy s GLY 48 CO 0.57 -0.02 0.24 -0.47 0.00 0.00 0.00 173.10 173.41 2avy s TYR 49 N -1.22 -0.34 0.04 1.90 6.14 -1.26 -0.92 117.35 121.69 2avy s TYR 49 Ca -0.13 0.43 0.02 0.00 0.64 0.00 0.00 57.07 58.03 2avy s TYR 49 Cb -0.06 -0.27 -0.02 0.00 0.42 0.00 0.00 41.96 42.03 2avy s TYR 49 CO 0.03 -0.54 -0.07 0.20 0.64 0.00 0.00 175.55 175.80 2avy s GLY 50 N 2.36 0.47 0.48 8.97 0.00 -1.23 -4.65 107.32 113.71 2avy s GLY 50 Ca 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 44.72 44.14 2avy s GLY 50 CO -0.11 -0.76 0.46 0.54 0.00 0.00 0.00 173.10 173.23 2avy s LYS 51 N -1.47 2.43 0.00 2.90 1.02 -1.26 -4.15 119.74 119.21 2avy s LYS 51 Ca -0.10 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.22 2avy s LYS 51 Cb -0.09 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2avy s LYS 51 CO 0.00 -0.43 0.00 0.00 -0.92 0.00 0.00 175.35 174.01 2avy n ALA 52 N -1.74 0.00 1.67 5.17 0.00 -1.02 -4.39 120.51 120.21 2avy n ALA 52 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2avy n ALA 52 Cb 0.62 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.84 2avy n ALA 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2avy n ARG 53 N -0.20 0.89 -4.70 0.00 0.63 -1.26 -2.54 116.66 109.48 2avy n ARG 53 Ca 0.00 -0.18 -0.24 0.00 -0.92 0.00 0.00 57.85 56.51 2avy n ARG 53 Cb 0.00 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.27 2avy n ARG 53 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2avy s GLU 54 N -2.23 1.31 0.19 -0.14 2.02 -1.26 -4.85 118.70 113.74 2avy s GLU 54 Ca 0.38 -0.69 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 2avy s GLU 54 Cb 0.21 -1.30 0.21 0.00 0.10 0.00 0.00 34.13 33.35 2avy s GLU 54 CO 0.41 0.35 1.73 0.28 0.02 0.00 0.00 175.26 178.04 2avy h VAL 55 N 4.62 0.75 0.01 2.63 2.07 -1.95 -1.85 116.25 122.52 2avy h VAL 55 Ca -0.38 -0.10 -0.25 0.00 0.82 0.00 0.00 66.70 66.79 2avy h VAL 55 Cb 1.16 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2avy h VAL 55 CO 0.47 0.05 -1.01 1.55 0.02 0.00 0.00 177.57 178.65 2avy h PRO 56 N 0.30 0.56 -1.00 1.57 0.13 -1.98 -3.27 132.00 128.31 2avy h PRO 56 Ca 0.26 -0.62 0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2avy h PRO 56 Cb 0.34 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 31.58 2avy h PRO 56 CO -0.31 1.23 0.65 0.00 -0.23 0.00 0.00 178.00 179.34 2avy h ALA 57 N 0.55 1.42 0.30 -0.56 0.00 -1.89 -2.31 119.26 116.76 2avy h ALA 57 Ca -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2avy h ALA 57 Cb 1.66 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2avy h ALA 57 CO 0.19 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.68 2avy h ALA 58 N 1.46 -1.04 -0.77 0.00 0.00 -1.40 -2.44 119.26 115.09 2avy h ALA 58 Ca 0.44 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.47 2avy h ALA 58 Cb 0.19 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2avy h ALA 58 CO -0.18 -1.02 0.75 0.97 0.00 0.00 0.00 179.25 179.77 2avy h ILE 59 N -0.46 0.28 -0.40 0.00 2.10 -1.59 0.14 117.51 117.58 2avy h ILE 59 Ca -0.04 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.88 2avy h ILE 59 Cb 0.37 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 36.50 2avy h ILE 59 CO 0.04 0.00 0.18 1.56 -1.08 0.00 0.00 178.15 178.85 2avy h GLN 60 N 0.00 0.58 0.22 2.19 4.20 -0.92 -1.98 115.11 119.40 2avy h GLN 60 Ca 0.36 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 2avy h GLN 60 Cb 1.86 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.54 2avy h GLN 60 CO -0.00 0.52 -0.10 0.87 -0.67 0.00 0.00 178.83 179.44 2avy h LYS 61 N 0.50 -0.28 -1.00 1.46 1.57 -0.62 -2.94 116.57 115.26 2avy h LYS 61 Ca 0.14 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.15 2avy h LYS 61 Cb 0.14 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.40 2avy h LYS 61 CO -0.02 0.07 0.60 0.00 -0.57 0.00 0.00 179.45 179.54 2avy h ALA 62 N -0.06 1.71 0.43 3.86 0.00 -1.50 0.31 119.26 124.02 2avy h ALA 62 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2avy h ALA 62 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2avy h ALA 62 CO 0.05 -0.14 -0.21 1.98 0.00 0.00 0.00 179.25 180.93 2avy h MET 63 N 0.69 -0.56 -0.14 0.00 4.05 -1.36 0.20 114.93 117.80 2avy h MET 63 Ca 0.61 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 60.11 2avy h MET 63 Cb 1.03 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.89 2avy h MET 63 CO -0.42 -0.28 -0.44 1.49 0.23 0.00 0.00 176.91 177.49 2avy h GLU 64 N -0.78 -0.49 -0.09 0.39 4.57 -1.14 0.40 114.58 117.44 2avy h GLU 64 Ca -0.06 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2avy h GLU 64 Cb 0.54 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2avy h GLU 64 CO 0.10 -0.32 0.14 0.87 -1.18 0.00 0.00 179.01 178.62 2avy h LYS 65 N -0.50 0.00 0.04 1.92 1.79 -0.92 -2.38 116.57 116.50 2avy h LYS 65 Ca 0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2avy h LYS 65 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2avy h LYS 65 CO -0.41 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 177.94 2avy h ALA 66 N 1.80 -0.05 -0.93 3.86 0.00 0.29 -3.28 119.26 120.96 2avy h ALA 66 Ca 0.04 -0.33 0.20 0.00 0.00 0.00 0.00 54.91 54.82 2avy h ALA 66 Cb 0.33 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2avy h ALA 66 CO -0.00 -0.15 0.60 0.00 0.00 0.00 0.00 179.25 179.70 2avy h ARG 67 N -0.80 0.50 -6.90 0.00 3.08 -0.48 -3.41 114.38 106.37 2avy h ARG 67 Ca -0.01 -0.03 -0.46 0.00 0.07 0.00 0.00 59.98 59.56 2avy h ARG 67 Cb 0.68 -0.11 0.05 0.00 0.08 0.00 0.00 29.97 30.66 2avy h ARG 67 CO 0.01 0.33 0.02 1.03 -1.07 0.00 0.00 179.97 180.29 2avy s ARG 68 N -5.54 2.79 -1.31 0.04 1.81 -1.14 -4.40 118.95 111.19 2avy s ARG 68 Ca -0.09 -0.43 -0.03 0.00 -1.72 0.00 0.00 55.73 53.46 2avy s ARG 68 Cb 0.23 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 32.32 2avy s ARG 68 CO 0.79 -0.60 0.91 0.09 -0.68 0.00 0.00 175.30 175.81 2avy n ASN 69 N -2.36 -2.77 -2.59 0.23 5.03 -1.26 -4.89 115.26 106.64 2avy n ASN 69 Ca 0.05 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.79 2avy n ASN 69 Cb 0.58 -4.54 0.00 0.00 -1.02 0.00 0.00 39.78 34.81 2avy n ASN 69 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2avy n MET 70 N -4.40 3.04 -3.69 3.52 2.81 -1.26 -4.75 117.12 112.39 2avy n MET 70 Ca -0.20 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.62 2avy n MET 70 Cb 0.64 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.13 2avy n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2avy s ILE 71 N 0.40 0.00 -0.22 2.02 2.07 0.19 -4.84 121.20 120.83 2avy s ILE 71 Ca 0.00 -0.54 -0.03 0.00 -1.41 0.00 0.00 60.65 58.67 2avy s ILE 71 Cb 0.00 -1.66 0.07 0.00 0.13 0.00 0.00 42.46 41.00 2avy s ILE 71 CO 0.00 0.00 0.06 0.21 -1.91 0.00 0.00 174.94 173.30 2avy s ASN 72 N -2.83 3.06 0.39 4.50 3.04 -1.26 -2.37 114.94 119.46 2avy s ASN 72 Ca 0.09 -0.96 -0.18 0.00 0.04 0.00 0.00 52.86 51.84 2avy s ASN 72 Cb -0.03 -0.56 -0.10 0.00 -1.54 0.00 0.00 41.25 39.03 2avy s ASN 72 CO -0.01 -0.34 0.86 -0.69 -3.04 0.00 0.00 177.10 173.88 2avy s VAL 73 N 1.89 4.51 -0.55 -5.21 1.01 0.29 -4.95 120.40 117.38 2avy s VAL 73 Ca 0.02 1.27 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 2avy s VAL 73 Cb -0.17 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2avy s VAL 73 CO -0.14 -0.27 2.87 0.00 0.00 0.00 0.00 175.10 177.56 2avy n ALA 74 N -0.54 6.54 -0.99 5.51 0.00 -1.26 -4.78 120.51 124.99 2avy n ALA 74 Ca 0.06 -3.02 -0.33 0.00 0.00 0.00 0.00 53.44 50.15 2avy n ALA 74 Cb 0.54 -2.32 0.14 0.00 0.00 0.00 0.00 19.45 17.81 2avy n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2avy s LEU 75 N -1.71 3.05 0.00 0.00 1.43 -1.26 -4.50 118.68 115.69 2avy s LEU 75 Ca 0.60 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 56.01 2avy s LEU 75 Cb 0.33 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.97 2avy s LEU 75 CO -0.16 -2.80 0.00 -3.20 0.23 0.00 0.00 176.35 170.42 2avy n ASN 76 N -3.58 0.00 -3.69 2.29 5.15 -0.59 -4.93 115.26 109.91 2avy n ASN 76 Ca 0.13 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.70 2avy n ASN 76 Cb 0.51 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.77 2avy n ASN 76 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2avy n ASN 77 N 0.00 7.09 -0.18 1.20 2.85 -1.26 -4.60 115.26 120.36 2avy n ASN 77 Ca 0.00 -3.41 -0.02 0.00 -0.11 0.00 0.00 54.58 51.04 2avy n ASN 77 Cb 0.00 -1.28 -0.01 0.00 1.24 0.00 0.00 39.78 39.73 2avy n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2avy n GLY 78 N 1.08 0.53 0.00 8.20 0.00 -1.26 -4.93 105.19 108.81 2avy n GLY 78 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2avy n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2avy n THR 79 N -2.71 0.00 -3.23 2.61 5.66 -1.26 0.14 114.28 115.48 2avy n THR 79 Ca -0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.69 2avy n THR 79 Cb 0.19 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.94 2avy n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2avy s LEU 80 N 0.00 4.01 0.10 1.09 1.43 -1.26 -1.54 118.68 122.51 2avy s LEU 80 Ca 0.00 0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 53.75 2avy s LEU 80 Cb 0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 2avy s LEU 80 CO 0.00 -0.24 1.41 0.06 0.23 0.00 0.00 176.35 177.81 2avy h GLN 81 N 1.56 0.74 -3.57 1.70 -0.00 -1.90 -3.44 115.11 110.20 2avy h GLN 81 Ca -0.48 -0.42 -0.06 0.00 -0.00 0.00 0.00 58.65 57.70 2avy h GLN 81 Cb 1.19 0.03 -0.12 0.00 -0.00 0.00 0.00 27.48 28.58 2avy h GLN 81 CO 0.65 1.04 -0.15 -3.38 -0.00 0.00 0.00 178.83 176.99 2avy s HIS 82 N -4.28 0.07 -0.91 0.06 -3.43 -1.26 -4.99 115.29 100.55 2avy s HIS 82 Ca -0.12 -0.43 -0.25 0.00 -0.80 0.00 0.00 55.06 53.46 2avy s HIS 82 Cb 0.09 0.17 -0.10 0.00 -1.43 0.00 0.00 32.58 31.30 2avy s HIS 82 CO 0.84 -0.77 2.13 -1.25 -2.00 0.00 0.00 174.74 173.69 2avy s PRO 83 N -3.89 2.06 1.12 -0.38 0.04 -1.26 -4.60 135.00 128.08 2avy s PRO 83 Ca 0.10 -0.13 -0.17 0.00 0.04 0.00 0.00 61.00 60.84 2avy s PRO 83 Cb 0.02 -4.98 0.25 0.00 0.04 0.00 0.00 34.50 29.83 2avy s PRO 83 CO -0.04 -4.05 1.15 0.54 0.04 0.00 0.00 177.00 174.63 2avy s VAL 84 N 12.59 1.75 -0.24 -0.36 0.11 -1.06 -4.88 120.40 128.31 2avy s VAL 84 Ca 0.79 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.76 2avy s VAL 84 Cb -0.08 -2.60 0.10 0.00 -1.53 0.00 0.00 36.38 32.27 2avy s VAL 84 CO 0.06 0.00 0.51 -0.75 -3.33 0.00 0.00 175.10 171.59 2avy s LYS 85 N -5.43 0.42 0.12 1.54 2.20 -1.26 -2.85 119.74 114.48 2avy s LYS 85 Ca 0.70 1.19 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 2avy s LYS 85 Cb -0.10 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2avy s LYS 85 CO 0.55 -0.23 -0.10 0.20 -0.36 0.00 0.00 175.35 175.42 2avy s GLY 86 N 2.68 0.94 0.02 5.54 0.00 -0.84 -4.82 107.32 110.85 2avy s GLY 86 Ca -0.04 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.18 2avy s GLY 86 CO -0.15 -1.45 0.32 -1.34 0.00 0.00 0.00 173.10 170.48 2avy s VAL 87 N -3.02 0.07 -0.28 1.40 -7.23 -1.25 -1.66 120.40 108.44 2avy s VAL 87 Ca 0.12 -0.59 -0.17 0.00 -1.81 0.00 0.00 61.98 59.52 2avy s VAL 87 Cb 0.01 -0.83 0.08 0.00 0.56 0.00 0.00 36.38 36.19 2avy s VAL 87 CO -0.00 -0.32 0.69 -2.28 -0.31 0.00 0.00 175.10 172.88 2avy s HIS 88 N -2.12 -1.02 0.00 2.82 2.46 -0.59 -4.88 115.29 111.96 2avy s HIS 88 Ca -0.08 2.10 0.00 0.00 0.47 0.00 0.00 55.06 57.55 2avy s HIS 88 Cb -0.02 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.00 2avy s HIS 88 CO -0.01 -0.50 0.00 2.41 -2.47 0.00 0.00 174.74 174.17 2avy n THR 89 N 4.04 0.00 -0.43 0.89 -1.04 -1.26 -1.27 114.28 115.21 2avy n THR 89 Ca -0.19 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.88 2avy n THR 89 Cb 0.58 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 69.27 2avy n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2avy n GLY 90 N 0.00 3.18 3.60 3.41 0.00 -1.26 -4.96 105.19 109.16 2avy n GLY 90 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2avy n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2avy s SER 91 N -1.30 5.95 -0.34 1.61 0.15 -0.40 0.20 113.70 119.57 2avy s SER 91 Ca 0.28 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 2avy s SER 91 Cb 0.19 -2.09 0.06 0.00 -1.71 0.00 0.00 66.02 62.46 2avy s SER 91 CO 0.13 -0.01 0.10 -0.13 1.20 0.00 0.00 173.24 174.53 2avy s ARG 92 N 1.48 2.46 -0.06 5.44 1.81 -1.26 -1.54 118.95 127.28 2avy s ARG 92 Ca 0.07 -1.33 0.05 0.00 -1.72 0.00 0.00 55.73 52.80 2avy s ARG 92 Cb -0.15 -3.41 -0.02 0.00 -0.45 0.00 0.00 34.95 30.92 2avy s ARG 92 CO 0.08 -0.74 -0.22 0.08 -0.68 0.00 0.00 175.30 173.82 2avy s VAL 93 N 1.31 2.37 -0.14 3.52 1.01 -0.66 0.28 120.40 128.10 2avy s VAL 93 Ca -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2avy s VAL 93 Cb -0.20 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2avy s VAL 93 CO 0.00 0.57 -0.07 0.12 0.00 0.00 0.00 175.10 175.73 2avy s PHE 94 N -0.31 1.58 0.03 5.22 2.19 -1.20 -1.99 117.98 123.50 2avy s PHE 94 Ca 0.01 -0.88 0.03 0.00 0.33 0.00 0.00 56.93 56.42 2avy s PHE 94 Cb -0.13 -1.27 -0.04 0.00 -1.31 0.00 0.00 43.02 40.28 2avy s PHE 94 CO 0.02 -0.56 -0.01 -1.64 1.83 0.00 0.00 175.22 174.87 2avy s MET 95 N 1.68 2.67 -0.03 10.12 -1.94 -1.13 -3.27 119.30 127.40 2avy s MET 95 Ca 0.03 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 2avy s MET 95 Cb -0.14 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.13 2avy s MET 95 CO -0.08 0.59 0.05 -1.14 -0.01 0.00 0.00 175.02 174.44 2avy s GLN 96 N -1.78 0.00 0.43 2.03 0.74 -1.25 -2.57 119.66 117.27 2avy s GLN 96 Ca 0.21 0.19 -0.23 0.00 0.05 0.00 0.00 55.36 55.58 2avy s GLN 96 Cb -0.11 -0.18 -0.08 0.00 1.10 0.00 0.00 33.01 33.74 2avy s GLN 96 CO 0.12 -0.13 1.08 -1.25 -0.55 0.00 0.00 175.29 174.57 2avy s PRO 97 N 0.86 3.97 0.04 1.67 0.04 -1.26 -2.71 135.00 137.62 2avy s PRO 97 Ca -0.07 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.56 2avy s PRO 97 Cb -0.10 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 2avy s PRO 97 CO -0.03 -0.32 -0.08 0.00 0.04 0.00 0.00 177.00 176.61 2avy s ALA 98 N -1.67 0.60 1.00 8.56 0.00 -1.15 -4.94 121.76 124.16 2avy s ALA 98 Ca 0.61 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 2avy s ALA 98 Cb -0.23 0.03 0.18 0.00 0.00 0.00 0.00 23.12 23.10 2avy s ALA 98 CO 0.28 -0.01 1.03 0.43 0.00 0.00 0.00 175.76 177.49 2avy n SER 99 N 1.52 -0.52 -4.71 0.00 7.64 -1.26 -4.71 113.62 111.57 2avy n SER 99 Ca -0.22 0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2avy n SER 99 Cb 0.55 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 2avy n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2avy n GLU 100 N -4.24 2.37 0.00 1.43 1.02 -1.26 -3.49 120.64 116.47 2avy n GLU 100 Ca 0.09 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 2avy n GLU 100 Cb 0.53 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 2avy n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2avy n GLY 101 N 1.91 3.44 3.63 0.62 0.00 -1.26 -5.09 105.19 108.43 2avy n GLY 101 Ca 0.09 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2avy n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avy s THR 102 N -0.09 4.94 0.53 2.61 2.01 -1.23 -5.06 115.64 119.36 2avy s THR 102 Ca 0.00 1.24 -0.09 0.00 0.31 0.00 0.00 61.69 63.15 2avy s THR 102 Cb 0.00 -3.99 0.13 0.00 0.01 0.00 0.00 72.50 68.65 2avy s THR 102 CO 0.00 -0.01 0.42 0.61 -0.69 0.00 0.00 174.62 174.94 2avy n GLY 103 N 4.07 -2.98 3.57 4.40 0.00 -1.26 -3.81 105.19 109.18 2avy n GLY 103 Ca 0.01 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 2avy n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2avy s ILE 104 N -1.69 3.62 -0.76 -0.61 2.07 -1.22 -3.39 121.20 119.21 2avy s ILE 104 Ca 0.28 0.51 -0.19 0.00 -1.41 0.00 0.00 60.65 59.84 2avy s ILE 104 Cb -0.03 -4.20 0.12 0.00 0.13 0.00 0.00 42.46 38.48 2avy s ILE 104 CO 0.22 -1.00 0.93 -0.63 -1.91 0.00 0.00 174.94 172.55 2avy s ILE 105 N 6.97 4.74 0.10 2.00 1.01 -0.68 -4.95 121.20 130.39 2avy s ILE 105 Ca 0.60 -1.20 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 2avy s ILE 105 Cb -0.13 -4.65 0.06 0.00 0.01 0.00 0.00 42.46 37.76 2avy s ILE 105 CO 0.25 -1.34 0.56 0.00 0.00 0.00 0.00 174.94 174.41 2avy s ALA 106 N 2.78 -1.47 0.00 9.38 0.00 -1.26 -0.43 121.76 130.77 2avy s ALA 106 Ca 0.23 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2avy s ALA 106 Cb -0.14 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2avy s ALA 106 CO -0.00 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2avy n GLY 107 N 0.03 0.15 0.00 0.00 0.00 -1.26 -4.51 105.19 99.60 2avy n GLY 107 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2avy n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avy n GLY 108 N 2.66 0.01 0.42 -0.02 0.00 -1.26 -4.33 105.19 102.67 2avy n GLY 108 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2avy n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avy h ALA 109 N -2.00 -0.51 -0.32 4.61 0.00 -1.92 -1.39 119.26 117.74 2avy h ALA 109 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2avy h ALA 109 Cb 0.00 1.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2avy h ALA 109 CO 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 179.25 178.02 2avy h MET 110 N -0.21 -0.26 -1.02 0.00 3.00 -1.88 0.14 114.93 114.71 2avy h MET 110 Ca 0.15 0.02 0.27 0.00 0.00 0.00 0.00 59.70 60.13 2avy h MET 110 Cb 0.53 0.06 -0.07 0.00 0.00 0.00 0.00 31.60 32.12 2avy h MET 110 CO -0.75 -0.17 0.68 -0.09 0.00 0.00 0.00 176.91 176.58 2avy h ARG 111 N -0.27 0.26 0.00 -0.10 2.43 -1.47 -1.90 114.38 113.33 2avy h ARG 111 Ca 0.15 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2avy h ARG 111 Cb 0.52 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2avy h ARG 111 CO -0.47 0.17 -0.05 0.00 -1.51 0.00 0.00 179.97 178.11 2avy h ALA 112 N 1.57 0.00 -1.34 2.80 0.00 -0.13 -2.86 119.26 119.30 2avy h ALA 112 Ca 0.54 -0.14 0.39 0.00 0.00 0.00 0.00 54.91 55.70 2avy h ALA 112 Cb 1.61 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 2avy h ALA 112 CO -0.18 0.05 0.95 -0.39 0.00 0.00 0.00 179.25 179.68 2avy h VAL 113 N -1.00 0.32 0.10 0.00 -1.51 -0.51 0.19 116.25 113.83 2avy h VAL 113 Ca -0.01 -0.02 -0.30 0.00 -1.23 0.00 0.00 66.70 65.15 2avy h VAL 113 Cb 0.22 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 29.64 2avy h VAL 113 CO -0.00 0.01 -1.57 -0.07 -1.23 0.00 0.00 177.57 174.70 2avy h LEU 114 N 0.04 0.32 -0.53 4.19 3.38 -1.48 -3.09 115.31 118.14 2avy h LEU 114 Ca 0.66 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2avy h LEU 114 Cb 2.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 43.16 2avy h LEU 114 CO -0.06 1.40 0.00 -0.62 0.09 0.00 0.00 178.44 179.25 2avy n GLU 115 N -3.39 0.47 0.00 1.13 1.02 0.67 -2.09 120.64 118.45 2avy n GLU 115 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2avy n GLU 115 Cb 1.04 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 2avy n GLU 115 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2avy n VAL 116 N -0.09 0.00 0.44 2.62 0.24 -1.20 -4.81 118.33 115.52 2avy n VAL 116 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2avy n VAL 116 Cb 0.06 0.32 0.25 0.00 -1.47 0.00 0.00 33.84 33.00 2avy n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2avy h ALA 117 N 0.00 0.87 0.00 2.33 0.00 -1.33 0.22 119.26 121.36 2avy h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2avy h ALA 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2avy h ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2avy n GLY 118 N 1.24 1.55 3.80 0.00 0.00 -1.19 -1.33 105.19 109.27 2avy n GLY 118 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2avy n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2avy s VAL 119 N -2.00 4.87 0.00 1.61 1.01 -1.03 -4.36 120.40 120.50 2avy s VAL 119 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2avy s VAL 119 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2avy s VAL 119 CO 0.00 0.51 0.00 1.41 0.00 0.00 0.00 175.10 177.02 2avy n HIS 120 N 2.14 0.00 -3.63 5.22 -0.00 0.36 -4.64 115.22 114.67 2avy n HIS 120 Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.35 2avy n HIS 120 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.34 2avy n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2avy s ASN 121 N -2.05 2.81 0.37 0.41 -0.87 -1.22 -3.45 114.94 110.94 2avy s ASN 121 Ca 0.00 -0.86 -0.08 0.00 -1.57 0.00 0.00 52.86 50.36 2avy s ASN 121 Cb 0.00 -0.39 0.03 0.00 -0.02 0.00 0.00 41.25 40.87 2avy s ASN 121 CO 0.00 -0.36 0.63 0.68 -2.57 0.00 0.00 177.10 175.48 2avy s VAL 122 N 2.03 0.00 -0.42 1.60 -7.23 -1.22 -2.93 120.40 112.24 2avy s VAL 122 Ca 0.03 -1.33 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2avy s VAL 122 Cb -0.16 -2.80 0.19 0.00 0.56 0.00 0.00 36.38 34.17 2avy s VAL 122 CO -0.15 0.00 0.78 -1.48 -0.31 0.00 0.00 175.10 173.94 2avy s LEU 123 N -3.18 -1.17 0.00 1.32 0.05 -1.10 -1.68 118.68 112.92 2avy s LEU 123 Ca 0.24 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.52 2avy s LEU 123 Cb -0.03 1.52 0.00 0.00 -2.05 0.00 0.00 46.19 45.63 2avy s LEU 123 CO 0.17 -0.10 0.00 0.00 -0.55 0.00 0.00 176.35 175.88 2avy n ALA 124 N 3.68 0.00 -3.65 1.48 0.00 0.43 -3.91 120.51 118.54 2avy n ALA 124 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 2avy n ALA 124 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 2avy n ALA 124 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2avy s LYS 125 N 0.21 0.11 -0.43 0.00 2.47 -1.20 -4.77 119.74 116.12 2avy s LYS 125 Ca 0.00 0.17 -0.19 0.00 -1.56 0.00 0.00 55.97 54.39 2avy s LYS 125 Cb 0.00 0.03 0.02 0.00 -1.46 0.00 0.00 37.83 36.43 2avy s LYS 125 CO 0.00 -0.02 0.54 0.00 0.16 0.00 0.00 175.35 176.03 2avy s ALA 126 N 0.76 3.39 -0.13 3.13 0.00 -1.26 -3.21 121.76 124.43 2avy s ALA 126 Ca -0.03 -1.39 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 2avy s ALA 126 Cb -0.03 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2avy s ALA 126 CO -0.12 -1.70 -0.01 1.88 0.00 0.00 0.00 175.76 175.81 2avy h TYR 127 N 8.81 0.00 0.00 0.00 0.99 -0.56 -3.47 116.97 122.74 2avy h TYR 127 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 2avy h TYR 127 Cb 1.10 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.83 2avy h TYR 127 CO 0.68 0.18 0.00 0.41 -0.00 0.00 0.00 178.16 179.43 2avy n GLY 128 N 1.67 -3.02 3.75 3.88 0.00 -1.24 -4.81 105.19 105.42 2avy n GLY 128 Ca -0.06 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2avy n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2avy s SER 129 N -1.94 7.32 -0.00 1.61 1.04 0.53 -4.80 113.70 117.47 2avy s SER 129 Ca 0.00 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.59 2avy s SER 129 Cb 0.00 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.54 2avy s SER 129 CO 0.00 -0.13 0.83 0.35 0.98 0.00 0.00 173.24 175.27 2avy n THR 130 N 1.73 0.08 -1.67 2.02 -2.24 -1.26 -4.46 114.28 108.48 2avy n THR 130 Ca 0.00 -0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 2avy n THR 130 Cb 0.46 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 2avy n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2avy n ASN 131 N -0.21 3.93 -0.26 3.42 5.15 -1.26 -4.88 115.26 121.14 2avy n ASN 131 Ca 0.01 0.94 -0.06 0.00 -0.60 0.00 0.00 54.58 54.88 2avy n ASN 131 Cb 0.14 -1.49 0.05 0.00 -0.53 0.00 0.00 39.78 37.96 2avy n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2avy h PRO 132 N 9.70 1.02 -0.49 1.20 0.13 -1.97 0.24 132.00 141.83 2avy h PRO 132 Ca -0.49 -0.13 0.14 0.00 -0.87 0.00 0.00 66.00 64.66 2avy h PRO 132 Cb 1.25 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2avy h PRO 132 CO 0.94 0.77 0.44 0.82 -0.23 0.00 0.00 178.00 180.75 2avy h ILE 133 N 1.00 0.49 0.00 -3.56 2.04 -1.99 -1.63 117.51 113.86 2avy h ILE 133 Ca 0.25 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.79 2avy h ILE 133 Cb 0.06 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2avy h ILE 133 CO -0.04 0.00 -2.04 0.59 0.00 0.00 0.00 178.15 176.66 2avy n ASN 134 N -3.95 1.58 0.22 1.72 3.02 -0.95 -4.37 115.26 112.53 2avy n ASN 134 Ca 0.09 0.27 0.18 0.00 -0.03 0.00 0.00 54.58 55.09 2avy n ASN 134 Cb 0.65 -0.65 0.79 0.00 -0.61 0.00 0.00 39.78 39.96 2avy n ASN 134 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2avy h VAL 135 N -0.79 0.21 -0.12 2.41 -1.51 -0.92 0.50 116.25 116.01 2avy h VAL 135 Ca -0.49 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.82 2avy h VAL 135 Cb 1.40 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2avy h VAL 135 CO -0.29 0.00 -0.63 1.62 -1.23 0.00 0.00 177.57 177.04 2avy h VAL 136 N 0.00 1.35 0.00 7.19 3.04 -1.51 -3.05 116.25 123.27 2avy h VAL 136 Ca 0.09 -1.96 -0.23 0.00 -1.01 0.00 0.00 66.70 63.60 2avy h VAL 136 Cb 0.83 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 32.01 2avy h VAL 136 CO -0.00 0.59 -1.75 -2.11 -1.01 0.00 0.00 177.57 173.29 2avy n ARG 137 N -3.90 0.64 0.28 4.17 1.85 0.12 -3.29 116.66 116.53 2avy n ARG 137 Ca -0.04 0.16 0.13 0.00 -1.00 0.00 0.00 57.85 57.10 2avy n ARG 137 Cb 0.65 -1.72 0.80 0.00 -1.05 0.00 0.00 32.46 31.14 2avy n ARG 137 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2avy h ALA 138 N 1.27 1.52 0.07 2.89 0.00 -0.29 0.64 119.26 125.36 2avy h ALA 138 Ca -0.27 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 2avy h ALA 138 Cb 1.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2avy h ALA 138 CO 0.05 0.06 -0.69 1.79 0.00 0.00 0.00 179.25 180.46 2avy h THR 139 N 0.00 1.46 -0.89 0.00 1.35 -1.64 -3.13 112.91 110.06 2avy h THR 139 Ca -0.00 -2.41 0.05 0.00 -0.55 0.00 0.00 66.41 63.51 2avy h THR 139 Cb 0.12 3.07 -0.06 0.00 -1.73 0.00 0.00 68.15 69.56 2avy h THR 139 CO 0.01 0.63 0.56 0.40 -0.25 0.00 0.00 175.52 176.87 2avy h ILE 140 N -0.65 1.08 -0.03 6.82 2.04 -1.39 0.35 117.51 125.73 2avy h ILE 140 Ca -0.15 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2avy h ILE 140 Cb 1.40 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2avy h ILE 140 CO 0.04 0.19 -0.20 0.44 0.00 0.00 0.00 178.15 178.62 2avy h ASP 141 N 1.04 0.04 0.70 1.72 3.45 -1.02 0.12 116.42 122.47 2avy h ASP 141 Ca 0.38 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.79 2avy h ASP 141 Cb 0.12 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2avy h ASP 141 CO -0.16 0.25 -0.33 1.23 -1.57 0.00 0.00 179.24 178.66 2avy h GLY 142 N 0.67 -0.97 1.86 2.75 0.00 -0.88 -2.68 103.07 103.82 2avy h GLY 142 Ca 0.01 0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 2avy h GLY 142 CO 0.03 -0.35 -0.08 1.41 0.00 0.00 0.00 176.54 177.54 2avy h LEU 143 N -1.10 0.16 -1.78 3.11 3.38 -1.27 -0.99 115.31 116.83 2avy h LEU 143 Ca -0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2avy h LEU 143 Cb 0.75 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2avy h LEU 143 CO 0.16 0.27 0.00 -0.08 0.09 0.00 0.00 178.44 178.88 2avy h GLU 144 N 0.17 0.00 0.00 1.13 4.81 -0.58 -1.50 114.58 118.60 2avy h GLU 144 Ca 0.04 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2avy h GLU 144 Cb 0.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2avy h GLU 144 CO 0.01 0.00 -1.95 0.09 -0.73 0.00 0.00 179.01 176.43 2avy n ASN 145 N -2.63 0.93 -3.40 1.04 4.13 -0.46 -4.98 115.26 109.90 2avy n ASN 145 Ca -0.01 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.84 2avy n ASN 145 Cb 0.12 1.43 -0.10 0.00 -1.54 0.00 0.00 39.78 39.69 2avy n ASN 145 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2avy n MET 146 N -2.33 0.00 -2.67 3.52 2.81 -0.57 -4.83 117.12 113.06 2avy n MET 146 Ca -0.13 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.33 2avy n MET 146 Cb 0.71 -1.17 -0.02 0.00 -0.71 0.00 0.00 33.22 32.02 2avy n MET 146 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2avy s ASN 147 N 5.65 6.79 0.54 7.83 0.02 -1.26 -4.60 114.94 129.92 2avy s ASN 147 Ca 0.99 0.78 -0.19 0.00 -1.02 0.00 0.00 52.86 53.42 2avy s ASN 147 Cb -1.09 -2.53 -0.06 0.00 0.02 0.00 0.00 41.25 37.59 2avy s ASN 147 CO 0.46 -0.98 1.08 -0.94 0.02 0.00 0.00 177.10 176.75 2avy s SER 148 N 1.93 5.88 0.00 -1.22 1.04 -1.26 -4.76 113.70 115.31 2avy s SER 148 Ca 0.44 2.01 0.05 0.00 0.48 0.00 0.00 55.95 58.93 2avy s SER 148 Cb -0.11 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.67 2avy s SER 148 CO 0.21 -1.10 1.10 -0.81 0.98 0.00 0.00 173.24 173.61 2avy n PRO 149 N -1.42 0.02 -2.69 4.02 -0.04 -1.26 -4.50 135.00 129.12 2avy n PRO 149 Ca 0.10 0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 63.72 2avy n PRO 149 Cb 0.52 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2avy n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2avy s GLU 150 N -2.85 2.56 0.00 0.54 0.41 -1.26 -4.34 118.70 113.75 2avy s GLU 150 Ca 0.03 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 2avy s GLU 150 Cb 0.03 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.86 2avy s GLU 150 CO 0.08 -0.67 0.00 -0.12 -0.49 0.00 0.00 175.26 174.06 2avy n MET 151 N -2.28 0.00 -0.22 1.61 0.00 -1.26 -4.57 117.12 110.40 2avy n MET 151 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.90 2avy n MET 151 Cb 0.60 -0.97 0.41 0.00 0.00 0.00 0.00 33.22 33.26 2avy n MET 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2avy h VAL 152 N 0.00 0.87 -0.05 1.12 2.07 -1.79 1.39 116.25 119.86 2avy h VAL 152 Ca 0.00 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2avy h VAL 152 Cb 0.00 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2avy h VAL 152 CO 0.00 0.11 -0.27 0.00 0.02 0.00 0.00 177.57 177.43 2avy h ALA 153 N 1.61 1.47 0.00 1.67 0.00 -1.81 -2.62 119.26 119.58 2avy h ALA 153 Ca 0.39 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 2avy h ALA 153 Cb 0.65 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2avy h ALA 153 CO -0.16 0.39 -1.53 0.00 0.00 0.00 0.00 179.25 177.96 2avy h ALA 154 N 1.65 0.68 0.00 0.00 0.00 -0.12 -0.82 119.26 120.65 2avy h ALA 154 Ca 0.01 -1.30 -0.00 0.00 0.00 0.00 0.00 54.91 53.62 2avy h ALA 154 Cb 0.52 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2avy h ALA 154 CO 0.04 1.46 -0.01 -0.22 0.00 0.00 0.00 179.25 180.51 2avy h LYS 155 N 0.00 0.00 -0.39 0.00 3.64 0.19 -3.16 116.57 116.85 2avy h LYS 155 Ca -0.22 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.90 2avy h LYS 155 Cb 1.92 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 33.48 2avy h LYS 155 CO 0.09 0.01 -0.71 2.89 -2.27 0.00 0.00 179.45 179.46 2avy n ARG 156 N -3.42 1.25 0.00 1.90 1.85 -1.11 -5.00 116.66 112.13 2avy n ARG 156 Ca -0.03 -2.40 0.00 0.00 -1.00 0.00 0.00 57.85 54.42 2avy n ARG 156 Cb 0.10 -0.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.97 2avy n ARG 156 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2avy n GLY 157 N -0.52 -0.10 3.88 2.89 0.00 -0.31 -4.95 105.19 106.07 2avy n GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2avy n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60