#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed h SER 2 N 0.00 0.00 -2.37 1.61 0.02 -2.14 -3.43 113.55 107.24 2eed h SER 2 Ca 0.00 -0.55 -0.55 0.00 -0.84 0.00 0.00 61.79 59.85 2eed h SER 2 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2eed h SER 2 CO 0.00 0.89 1.34 -0.44 -1.14 0.00 0.00 176.83 177.49 2eed s SER 3 N -6.06 5.59 -0.20 3.07 0.01 -1.26 -4.93 113.70 109.92 2eed s SER 3 Ca -0.14 1.13 -0.04 0.00 1.31 0.00 0.00 55.95 58.21 2eed s SER 3 Cb -0.00 -2.52 0.10 0.00 0.21 0.00 0.00 66.02 63.80 2eed s SER 3 CO 0.43 -1.98 0.33 -0.83 0.41 0.00 0.00 173.24 171.60 2eed s GLY 4 N 7.25 -0.25 0.02 3.44 0.00 -1.26 -5.15 107.32 111.36 2eed s GLY 4 Ca 0.81 0.92 -0.03 0.00 0.00 0.00 0.00 44.72 46.42 2eed s GLY 4 CO 0.30 2.34 0.03 -0.56 0.00 0.00 0.00 173.10 175.22 2eed s SER 5 N 2.49 0.19 0.10 1.64 0.01 -1.26 -5.17 113.70 111.70 2eed s SER 5 Ca 0.06 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 2eed s SER 5 Cb -0.14 0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.31 2eed s SER 5 CO -0.13 -0.36 0.99 -0.55 0.41 0.00 0.00 173.24 173.61 2eed s SER 6 N -1.58 -0.19 -0.46 2.44 0.15 -1.26 -5.11 113.70 107.69 2eed s SER 6 Ca -0.13 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.27 2eed s SER 6 Cb -0.08 0.43 0.30 0.00 -1.71 0.00 0.00 66.02 64.96 2eed s SER 6 CO -0.01 -0.78 1.06 0.61 1.20 0.00 0.00 173.24 175.32 2eed n GLY 7 N -0.44 0.37 3.48 9.45 0.00 -1.26 -5.13 105.19 111.67 2eed n GLY 7 Ca -0.07 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2eed n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed s SER 8 N -1.36 -0.73 -0.30 1.61 0.01 -1.26 -5.14 113.70 106.53 2eed s SER 8 Ca 0.25 1.23 -0.12 0.00 1.31 0.00 0.00 55.95 58.62 2eed s SER 8 Cb 0.27 1.14 0.18 0.00 0.21 0.00 0.00 66.02 67.82 2eed s SER 8 CO -0.11 -0.22 0.98 -0.94 0.41 0.00 0.00 173.24 173.36 2eed s SER 9 N 1.24 -0.60 -0.07 2.44 1.04 -1.26 -3.83 113.70 112.67 2eed s SER 9 Ca -0.07 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.84 2eed s SER 9 Cb -0.06 1.54 -0.03 0.00 0.10 0.00 0.00 66.02 67.57 2eed s SER 9 CO -0.13 -0.11 -0.09 -1.81 0.98 0.00 0.00 173.24 172.08 2eed s ASP 10 N 2.81 4.45 -0.15 7.02 1.01 0.09 -4.98 116.67 126.91 2eed s ASP 10 Ca 0.02 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.16 2eed s ASP 10 Cb -0.10 -1.12 -0.24 0.00 1.01 0.00 0.00 42.92 42.47 2eed s ASP 10 CO -0.14 0.34 0.23 0.00 0.21 0.00 0.00 175.17 175.82 2eed n ALA 11 N 2.36 1.06 -0.09 5.23 0.00 -1.26 -4.12 120.51 123.68 2eed n ALA 11 Ca -0.18 -0.73 0.26 0.00 0.00 0.00 0.00 53.44 52.79 2eed n ALA 11 Cb 0.53 -0.54 0.72 0.00 0.00 0.00 0.00 19.45 20.15 2eed n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2eed h SER 12 N 0.05 0.00 0.97 0.00 0.02 -1.94 0.64 113.55 113.29 2eed h SER 12 Ca -0.46 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.31 2eed h SER 12 Cb 2.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.52 2eed h SER 12 CO 0.05 0.00 -0.86 0.11 -1.14 0.00 0.00 176.83 174.99 2eed h LYS 13 N 0.00 0.00 -6.47 3.45 1.79 -1.89 -3.44 116.57 110.00 2eed h LYS 13 Ca 0.36 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.30 2eed h LYS 13 Cb 1.59 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 32.27 2eed h LYS 13 CO -0.00 0.86 1.12 0.08 -1.08 0.00 0.00 179.45 180.42 2eed s VAL 14 N -2.93 2.71 0.06 0.50 1.01 0.22 -4.79 120.40 117.18 2eed s VAL 14 Ca 0.01 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.19 2eed s VAL 14 Cb 0.10 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2eed s VAL 14 CO 0.80 -0.00 -0.18 0.42 0.00 0.00 0.00 175.10 176.13 2eed s THR 15 N 3.04 2.78 -0.02 3.92 -4.23 -1.10 -4.53 115.64 115.49 2eed s THR 15 Ca 0.81 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 2eed s THR 15 Cb -0.44 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2eed s THR 15 CO 0.36 0.29 -0.16 -0.94 -0.54 0.00 0.00 174.62 173.63 2eed s SER 16 N -1.59 1.89 0.09 3.99 1.04 -1.26 -0.15 113.70 117.72 2eed s SER 16 Ca 0.15 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.35 2eed s SER 16 Cb -0.10 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.65 2eed s SER 16 CO 0.06 0.17 -0.16 -1.59 0.98 0.00 0.00 173.24 172.70 2eed s LYS 17 N -0.20 0.96 0.00 4.02 -2.85 0.50 -4.96 119.74 117.21 2eed s LYS 17 Ca 0.02 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 2eed s LYS 17 Cb -0.08 -1.04 0.00 0.00 -2.06 0.00 0.00 37.83 34.65 2eed s LYS 17 CO 0.00 0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.09 2eed n GLY 18 N 1.07 2.94 0.09 0.59 0.00 -1.26 -0.05 105.19 108.56 2eed n GLY 18 Ca -0.19 -1.84 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed h ALA 19 N 0.00 0.00 -1.46 4.61 0.00 -1.86 -3.33 119.26 117.23 2eed h ALA 19 Ca 0.00 -0.65 0.49 0.00 0.00 0.00 0.00 54.91 54.75 2eed h ALA 19 Cb 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.77 2eed h ALA 19 CO 0.00 0.22 0.95 0.78 0.00 0.00 0.00 179.25 181.20 2eed h GLY 20 N -0.74 1.21 1.24 0.00 0.00 -1.56 1.59 103.07 104.81 2eed h GLY 20 Ca -0.09 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 2eed h GLY 20 CO 0.03 -0.42 -0.37 1.41 0.00 0.00 0.00 176.54 177.20 2eed h LEU 21 N 0.01 0.88 0.00 3.11 3.38 -1.82 -3.34 115.31 117.54 2eed h LEU 21 Ca 0.89 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 58.44 2eed h LEU 21 Cb 2.95 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 43.44 2eed h LEU 21 CO -0.41 1.15 -0.21 -1.28 0.09 0.00 0.00 178.44 177.78 2eed h SER 22 N 0.69 0.00 -5.06 -0.43 0.87 0.19 -3.42 113.55 106.39 2eed h SER 22 Ca 0.06 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 2eed h SER 22 Cb 0.93 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.77 2eed h SER 22 CO 0.09 0.80 0.04 -1.59 -0.53 0.00 0.00 176.83 175.63 2eed s LYS 23 N -1.94 1.24 0.36 2.24 -2.85 0.15 -3.84 119.74 115.09 2eed s LYS 23 Ca -0.11 -0.70 0.04 0.00 -1.00 0.00 0.00 55.97 54.20 2eed s LYS 23 Cb 0.00 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 2eed s LYS 23 CO 0.31 -0.52 0.14 0.00 0.10 0.00 0.00 175.35 175.38 2eed s ALA 24 N -3.81 2.48 -0.00 0.59 0.00 -1.21 -3.19 121.76 116.61 2eed s ALA 24 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2eed s ALA 24 Cb 0.00 0.91 0.00 0.00 0.00 0.00 0.00 23.12 24.04 2eed s ALA 24 CO -0.09 -0.41 -0.01 -0.06 0.00 0.00 0.00 175.76 175.19 2eed s PHE 25 N -3.36 0.11 0.22 0.00 0.40 -1.26 -4.14 117.98 109.95 2eed s PHE 25 Ca 0.30 -0.01 -0.32 0.00 -0.60 0.00 0.00 56.93 56.31 2eed s PHE 25 Cb 0.04 -0.10 -0.13 0.00 0.51 0.00 0.00 43.02 43.34 2eed s PHE 25 CO 0.16 -0.02 1.50 0.28 0.70 0.00 0.00 175.22 177.84 2eed n VAL 26 N 3.21 0.65 0.00 -0.44 0.31 -1.26 -2.04 118.33 118.75 2eed n VAL 26 Ca -0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2eed n VAL 26 Cb 0.58 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2eed n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2eed n GLY 27 N 2.59 1.26 3.35 2.92 0.00 -0.37 -4.96 105.19 109.97 2eed n GLY 27 Ca 0.13 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2eed n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eed n GLN 28 N 0.00 -2.90 -3.99 1.61 6.02 -0.87 -4.86 117.38 112.39 2eed n GLN 28 Ca 0.00 -0.83 -0.34 0.00 -0.01 0.00 0.00 57.00 55.82 2eed n GLN 28 Cb 0.00 -1.98 -0.14 0.00 1.02 0.00 0.00 30.24 29.14 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2eed s LYS 29 N -4.27 2.48 -0.09 -1.09 2.20 -1.26 -4.39 119.74 113.32 2eed s LYS 29 Ca 0.64 -1.21 -0.17 0.00 -0.36 0.00 0.00 55.97 54.88 2eed s LYS 29 Cb -0.19 -3.00 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 2eed s LYS 29 CO 0.62 -0.53 0.43 -1.12 -0.36 0.00 0.00 175.35 174.39 2eed s SER 30 N 1.21 6.69 0.14 1.43 0.01 -1.11 -4.97 113.70 117.09 2eed s SER 30 Ca -0.05 0.82 0.06 0.00 1.31 0.00 0.00 55.95 58.09 2eed s SER 30 Cb -0.19 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2eed s SER 30 CO -0.04 0.11 -0.13 -0.94 0.41 0.00 0.00 173.24 172.65 2eed s SER 31 N 0.09 2.01 -0.20 2.44 1.04 -1.26 -1.80 113.70 116.01 2eed s SER 31 Ca 0.24 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.62 2eed s SER 31 Cb -0.15 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 65.96 2eed s SER 31 CO 0.10 -0.20 0.52 0.72 0.98 0.00 0.00 173.24 175.36 2eed s PHE 32 N -2.57 -0.65 -0.12 5.02 -0.71 -0.74 -3.39 117.98 114.81 2eed s PHE 32 Ca 0.13 1.48 -0.05 0.00 -1.04 0.00 0.00 56.93 57.45 2eed s PHE 32 Cb -0.02 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 2eed s PHE 32 CO 0.03 -0.33 0.08 -1.17 -1.34 0.00 0.00 175.22 172.49 2eed s LEU 33 N 0.74 4.05 -0.28 -1.99 1.98 0.92 -2.87 118.68 121.23 2eed s LEU 33 Ca -0.04 0.31 -0.02 0.00 -2.89 0.00 0.00 54.13 51.50 2eed s LEU 33 Cb -0.05 -1.97 0.04 0.00 0.66 0.00 0.00 46.19 44.87 2eed s LEU 33 CO -0.05 0.37 -0.03 -0.69 -1.89 0.00 0.00 176.35 174.06 2eed s VAL 34 N -0.80 2.92 -0.49 1.68 1.01 -1.14 -0.37 120.40 123.21 2eed s VAL 34 Ca 0.13 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 2eed s VAL 34 Cb -0.12 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.69 2eed s VAL 34 CO 0.03 0.01 0.83 -0.62 0.00 0.00 0.00 175.10 175.35 2eed s ASP 35 N 1.28 6.38 -0.39 3.32 2.15 0.79 -2.92 116.67 127.28 2eed s ASP 35 Ca -0.03 -0.24 0.05 0.00 0.43 0.00 0.00 52.55 52.75 2eed s ASP 35 Cb -0.19 -2.40 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 2eed s ASP 35 CO -0.02 -1.02 1.42 0.00 -0.17 0.00 0.00 175.17 175.37 2eed h SER 37 N 2.09 -0.63 -0.98 0.00 0.87 -1.87 -3.29 113.55 109.75 2eed h SER 37 Ca 0.43 0.02 -0.55 0.00 -1.23 0.00 0.00 61.79 60.45 2eed h SER 37 Cb 1.35 0.16 -0.30 0.00 -0.44 0.00 0.00 62.40 63.17 2eed h SER 37 CO 0.96 -0.27 0.71 0.29 -0.53 0.00 0.00 176.83 177.99 2eed n LYS 38 N -4.97 2.35 -0.11 2.24 4.76 -1.26 -4.42 118.16 116.75 2eed n LYS 38 Ca -0.09 -3.02 -0.19 0.00 -2.87 0.00 0.00 58.31 52.13 2eed n LYS 38 Cb 0.29 -2.18 -0.06 0.00 -1.84 0.00 0.00 35.03 31.23 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eed n ALA 39 N -1.04 1.19 0.00 7.82 0.00 -1.24 -4.86 120.51 122.39 2eed n ALA 39 Ca 0.59 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2eed n ALA 39 Cb 1.37 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.93 2eed n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eed n GLY 40 N 1.47 1.16 2.24 0.00 0.00 -1.26 -0.73 105.19 108.07 2eed n GLY 40 Ca -0.35 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2eed n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eed n SER 41 N 0.00 7.34 -3.88 1.61 7.64 -1.25 -4.90 113.62 120.18 2eed n SER 41 Ca 0.00 -3.58 -0.13 0.00 1.01 0.00 0.00 58.87 56.17 2eed n SER 41 Cb 0.00 -1.01 0.05 0.00 -1.01 0.00 0.00 64.21 62.24 2eed n SER 41 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2eed n ASN 42 N -0.51 1.29 -4.87 6.43 2.85 -1.26 -5.09 115.26 114.09 2eed n ASN 42 Ca 0.53 -1.96 -0.31 0.00 -0.11 0.00 0.00 54.58 52.73 2eed n ASN 42 Cb 0.61 -0.31 -0.05 0.00 1.24 0.00 0.00 39.78 41.28 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eed s MET 43 N -3.81 3.28 -0.24 1.20 0.23 -1.26 -4.98 119.30 113.72 2eed s MET 43 Ca 0.41 -0.49 -0.06 0.00 -1.03 0.00 0.00 55.69 54.52 2eed s MET 43 Cb -0.03 -2.96 -0.02 0.00 -1.53 0.00 0.00 34.83 30.29 2eed s MET 43 CO 0.26 0.61 0.03 -1.17 -2.03 0.00 0.00 175.02 172.72 2eed s LEU 44 N -2.36 3.30 0.31 0.18 2.96 -1.26 -2.78 118.68 119.03 2eed s LEU 44 Ca 0.32 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2eed s LEU 44 Cb -0.13 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 2eed s LEU 44 CO 0.25 -0.05 -0.02 -1.48 -1.32 0.00 0.00 176.35 173.73 2eed s LEU 45 N 1.56 2.45 0.12 -0.68 -0.00 -1.23 -5.08 118.68 115.82 2eed s LEU 45 Ca 0.06 -1.27 0.07 0.00 -0.00 0.00 0.00 54.13 52.99 2eed s LEU 45 Cb -0.15 -0.61 -0.04 0.00 -0.00 0.00 0.00 46.19 45.39 2eed s LEU 45 CO 0.01 -0.43 -0.17 -0.63 -0.00 0.00 0.00 176.35 175.13 2eed s ILE 46 N -3.04 1.50 -0.35 1.48 -1.09 -1.26 -3.29 121.20 115.14 2eed s ILE 46 Ca 0.32 -1.65 0.14 0.00 -2.23 0.00 0.00 60.65 57.24 2eed s ILE 46 Cb 0.06 -1.53 0.39 0.00 -1.58 0.00 0.00 42.46 39.80 2eed s ILE 46 CO 0.14 -0.27 0.82 0.61 -1.23 0.00 0.00 174.94 175.01 2eed n GLY 47 N 0.75 2.79 3.56 6.18 0.00 -0.81 -5.00 105.19 112.66 2eed n GLY 47 Ca -0.17 -1.52 -0.53 0.00 0.00 0.00 0.00 46.02 43.80 2eed n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2eed n VAL 48 N 0.15 0.27 -3.20 1.61 0.24 -1.26 -4.46 118.33 111.68 2eed n VAL 48 Ca 0.19 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.34 62.06 2eed n VAL 48 Cb 0.72 -0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 32.42 2eed n VAL 48 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2eed s HIS 49 N 0.17 3.63 -0.38 6.34 3.76 -1.25 -5.00 115.29 122.56 2eed s HIS 49 Ca 0.83 1.27 0.11 0.00 -0.15 0.00 0.00 55.06 57.11 2eed s HIS 49 Cb -1.00 -2.53 0.33 0.00 1.11 0.00 0.00 32.58 30.49 2eed s HIS 49 CO 0.51 0.37 0.73 0.41 -0.85 0.00 0.00 174.74 175.91 2eed n GLY 50 N 0.75 3.18 0.18 -2.22 0.00 -1.26 -4.70 105.19 101.11 2eed n GLY 50 Ca -0.03 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.52 2eed n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed h PRO 51 N 3.18 0.00 0.00 1.61 0.13 -2.00 -3.41 132.00 131.50 2eed h PRO 51 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2eed h PRO 51 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2eed h PRO 51 CO 0.46 0.44 -0.31 -2.37 -0.23 0.00 0.00 178.00 175.98 2eed n THR 52 N -3.86 0.42 -3.68 1.56 5.66 -1.26 -5.04 114.28 108.08 2eed n THR 52 Ca -0.01 0.14 -0.29 0.00 -3.05 0.00 0.00 64.05 60.84 2eed n THR 52 Cb 0.48 -1.18 -0.16 0.00 -1.55 0.00 0.00 70.33 67.93 2eed n THR 52 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2eed s THR 53 N -2.00 0.46 1.25 1.09 -4.23 -1.26 -5.14 115.64 105.80 2eed s THR 53 Ca 0.00 -0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 59.43 2eed s THR 53 Cb 0.00 -1.21 0.31 0.00 1.34 0.00 0.00 72.50 72.94 2eed s THR 53 CO 0.00 -0.51 1.11 -2.16 -0.54 0.00 0.00 174.62 172.53 2eed s PRO 54 N 1.85 -1.60 0.28 3.99 0.04 -1.26 -4.81 135.00 133.49 2eed s PRO 54 Ca 0.05 -0.20 -0.05 0.00 0.04 0.00 0.00 61.00 60.85 2eed s PRO 54 Cb -0.17 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 2eed s PRO 54 CO -0.21 -3.93 0.54 0.00 0.04 0.00 0.00 177.00 173.44 2eed h GLU 56 N 1.77 0.88 -1.76 0.00 4.39 -1.63 -3.47 114.58 114.75 2eed h GLU 56 Ca -0.48 -0.14 0.27 0.00 0.34 0.00 0.00 59.36 59.35 2eed h GLU 56 Cb 1.19 -0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.57 2eed h GLU 56 CO 0.66 0.72 0.71 -1.83 -1.16 0.00 0.00 179.01 178.11 2eed s GLU 57 N -5.67 0.65 -0.23 2.33 -1.05 -1.26 -5.02 118.70 108.45 2eed s GLU 57 Ca -0.13 -0.35 -0.04 0.00 -0.15 0.00 0.00 54.97 54.31 2eed s GLU 57 Cb 0.13 0.23 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 2eed s GLU 57 CO 0.79 -0.30 0.09 0.08 0.95 0.00 0.00 175.26 176.87 2eed s VAL 58 N -2.72 0.20 -0.45 1.83 1.01 -1.26 -3.68 120.40 115.33 2eed s VAL 58 Ca 0.13 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 2eed s VAL 58 Cb 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2eed s VAL 58 CO -0.02 -0.47 0.56 -0.55 0.00 0.00 0.00 175.10 174.62 2eed s SER 59 N 1.99 6.25 -0.19 3.32 0.15 -0.27 -4.94 113.70 120.01 2eed s SER 59 Ca 0.05 -0.61 -0.02 0.00 0.70 0.00 0.00 55.95 56.07 2eed s SER 59 Cb -0.16 -2.28 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2eed s SER 59 CO -0.20 -0.74 -0.10 -0.04 1.20 0.00 0.00 173.24 173.36 2eed s MET 60 N 2.52 3.29 0.02 5.44 -1.94 -1.26 -1.52 119.30 125.86 2eed s MET 60 Ca 0.17 -0.69 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 2eed s MET 60 Cb -0.16 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 2eed s MET 60 CO 0.15 -0.10 -0.11 0.15 -0.01 0.00 0.00 175.02 175.10 2eed s LYS 61 N 1.16 0.78 -1.10 2.03 3.01 0.72 -4.98 119.74 121.36 2eed s LYS 61 Ca 0.01 -0.58 -0.12 0.00 -1.01 0.00 0.00 55.97 54.28 2eed s LYS 61 Cb -0.14 -0.73 0.23 0.00 -1.01 0.00 0.00 37.83 36.17 2eed s LYS 61 CO -0.03 0.18 1.18 -1.58 0.51 0.00 0.00 175.35 175.61 2eed s HIS 62 N -0.68 3.90 0.03 3.18 5.65 -1.26 0.31 115.29 126.42 2eed s HIS 62 Ca 0.00 -2.36 0.16 0.00 0.25 0.00 0.00 55.06 53.12 2eed s HIS 62 Cb -0.06 -4.02 0.88 0.00 -1.18 0.00 0.00 32.58 28.20 2eed s HIS 62 CO 0.00 -1.13 1.42 -0.39 -0.65 0.00 0.00 174.74 174.00 2eed h VAL 63 N 4.24 0.00 0.00 0.89 -1.51 -1.85 -3.47 116.25 114.55 2eed h VAL 63 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 2eed h VAL 63 Cb 0.90 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2eed h VAL 63 CO 1.06 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.01 2eed n GLY 64 N -1.27 -2.20 2.86 5.19 0.00 -1.18 -4.95 105.19 103.63 2eed n GLY 64 Ca -0.01 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 2eed n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2eed n ASN 65 N 0.00 -4.25 -1.66 1.61 3.02 -1.26 0.31 115.26 113.03 2eed n ASN 65 Ca 0.00 -0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.29 2eed n ASN 65 Cb 0.00 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2eed n GLN 66 N -3.33 -1.24 -4.43 3.52 1.13 -1.26 -4.78 117.38 106.98 2eed n GLN 66 Ca -0.10 0.88 -0.34 0.00 -1.94 0.00 0.00 57.00 55.51 2eed n GLN 66 Cb 0.59 -5.22 -0.14 0.00 0.11 0.00 0.00 30.24 25.58 2eed n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2eed s GLN 67 N -4.34 3.36 -0.28 -1.09 -0.21 0.15 -1.55 119.66 115.70 2eed s GLN 67 Ca 0.00 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 54.67 2eed s GLN 67 Cb 0.00 -2.75 0.03 0.00 1.00 0.00 0.00 33.01 31.28 2eed s GLN 67 CO 0.00 0.05 -0.00 0.71 -2.12 0.00 0.00 175.29 173.92 2eed s TYR 68 N 0.79 3.14 -0.33 0.91 2.02 -1.15 -2.41 117.35 120.32 2eed s TYR 68 Ca -0.04 -1.47 -0.23 0.00 -0.37 0.00 0.00 57.07 54.97 2eed s TYR 68 Cb -0.15 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.28 2eed s TYR 68 CO 0.01 -0.71 0.75 1.21 -1.57 0.00 0.00 175.55 175.24 2eed s ASN 69 N 1.36 6.58 -0.09 2.29 3.04 0.15 -2.90 114.94 125.36 2eed s ASN 69 Ca -0.00 0.47 0.02 0.00 0.04 0.00 0.00 52.86 53.39 2eed s ASN 69 Cb -0.18 -2.38 0.01 0.00 -1.54 0.00 0.00 41.25 37.16 2eed s ASN 69 CO -0.02 -0.63 -0.14 -0.69 -3.04 0.00 0.00 177.10 172.58 2eed s VAL 70 N 2.93 1.36 0.02 -5.21 1.01 -1.14 -0.20 120.40 119.18 2eed s VAL 70 Ca 0.30 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2eed s VAL 70 Cb -0.14 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 2eed s VAL 70 CO 0.14 0.41 -0.08 -0.89 0.00 0.00 0.00 175.10 174.68 2eed s THR 71 N 0.85 0.63 0.31 3.92 2.01 -0.57 -1.80 115.64 120.99 2eed s THR 71 Ca -0.10 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.27 2eed s THR 71 Cb -0.15 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2eed s THR 71 CO 0.01 -0.05 0.18 -0.72 -0.69 0.00 0.00 174.62 173.34 2eed s TYR 72 N -0.68 1.62 -0.03 4.92 -0.85 -0.75 -1.11 117.35 120.48 2eed s TYR 72 Ca -0.02 -1.42 -0.01 0.00 -0.52 0.00 0.00 57.07 55.11 2eed s TYR 72 Cb -0.06 -0.84 0.03 0.00 0.38 0.00 0.00 41.96 41.47 2eed s TYR 72 CO 0.00 -0.58 0.04 0.08 -1.52 0.00 0.00 175.55 173.58 2eed s VAL 73 N -3.57 -0.07 -0.15 -3.49 1.01 -1.24 -2.77 120.40 110.11 2eed s VAL 73 Ca 0.36 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 2eed s VAL 73 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 2eed s VAL 73 CO 0.19 0.12 0.01 0.68 0.00 0.00 0.00 175.10 176.09 2eed s VAL 74 N 1.40 4.29 -0.24 2.92 -7.23 -1.26 -1.40 120.40 118.89 2eed s VAL 74 Ca -0.05 -0.22 0.14 0.00 -1.81 0.00 0.00 61.98 60.04 2eed s VAL 74 Cb -0.13 -2.89 0.77 0.00 0.56 0.00 0.00 36.38 34.70 2eed s VAL 74 CO -0.03 0.51 1.71 0.29 -0.31 0.00 0.00 175.10 177.26 2eed n LYS 75 N 3.25 4.51 -3.67 4.82 4.76 -1.26 -1.24 118.16 129.33 2eed n LYS 75 Ca -0.17 -3.12 -0.10 0.00 -2.87 0.00 0.00 58.31 52.05 2eed n LYS 75 Cb 0.53 -2.20 -0.04 0.00 -1.84 0.00 0.00 35.03 31.48 2eed n LYS 75 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2eed s GLU 76 N -2.81 1.32 0.55 1.97 2.12 -1.26 -4.92 118.70 115.67 2eed s GLU 76 Ca 0.53 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 55.14 2eed s GLU 76 Cb 0.41 0.53 0.04 0.00 0.26 0.00 0.00 34.13 35.37 2eed s GLU 76 CO 0.15 -0.56 0.42 -0.98 -0.54 0.00 0.00 175.26 173.75 2eed s ARG 77 N -3.84 2.26 0.00 4.30 3.03 -1.26 -4.60 118.95 118.83 2eed s ARG 77 Ca 0.07 -2.01 0.00 0.00 2.03 0.00 0.00 55.73 55.82 2eed s ARG 77 Cb -0.01 -2.12 0.00 0.00 -1.03 0.00 0.00 34.95 31.79 2eed s ARG 77 CO -0.06 -0.63 0.00 0.41 -1.13 0.00 0.00 175.30 173.89 2eed n GLY 78 N -1.79 0.30 3.49 3.88 0.00 -1.12 -4.96 105.19 104.98 2eed n GLY 78 Ca -0.01 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2eed n GLY 78 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2eed s ASP 79 N -4.00 5.96 0.30 1.61 -4.77 -1.26 -0.84 116.67 113.67 2eed s ASP 79 Ca 0.00 -0.60 0.06 0.00 -3.30 0.00 0.00 52.55 48.71 2eed s ASP 79 Cb 0.00 -2.11 -0.02 0.00 -1.09 0.00 0.00 42.92 39.70 2eed s ASP 79 CO 0.00 -0.29 0.43 -0.31 0.70 0.00 0.00 175.17 175.70 2eed s TYR 80 N 1.68 3.23 -0.17 2.11 1.51 0.84 -4.98 117.35 121.57 2eed s TYR 80 Ca 0.05 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2eed s TYR 80 Cb -0.18 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2eed s TYR 80 CO 0.09 0.15 0.04 0.08 -1.11 0.00 0.00 175.55 174.80 2eed s VAL 81 N -2.11 0.40 -0.15 0.71 1.01 -1.26 -2.27 120.40 116.73 2eed s VAL 81 Ca 0.41 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2eed s VAL 81 Cb -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2eed s VAL 81 CO 0.30 -0.13 0.34 -0.22 0.00 0.00 0.00 175.10 175.39 2eed s LEU 82 N 1.93 4.26 -0.26 3.92 2.96 -0.99 -3.79 118.68 126.71 2eed s LEU 82 Ca 0.01 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2eed s LEU 82 Cb -0.16 -2.45 0.05 0.00 0.50 0.00 0.00 46.19 44.13 2eed s LEU 82 CO -0.08 0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 174.95 2eed s ALA 83 N 0.45 2.61 -0.21 5.97 0.00 -1.26 -1.69 121.76 127.62 2eed s ALA 83 Ca 0.19 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2eed s ALA 83 Cb -0.14 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.38 2eed s ALA 83 CO 0.06 -1.09 -0.15 0.08 0.00 0.00 0.00 175.76 174.66 2eed s VAL 84 N 1.17 2.33 0.13 0.00 1.01 -1.26 -1.92 120.40 121.86 2eed s VAL 84 Ca -0.06 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 60.94 2eed s VAL 84 Cb -0.19 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2eed s VAL 84 CO -0.05 0.38 0.05 -0.54 0.00 0.00 0.00 175.10 174.94 2eed s LYS 85 N 1.28 2.68 -0.38 2.72 1.02 -1.21 -2.37 119.74 123.48 2eed s LYS 85 Ca 0.02 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2eed s LYS 85 Cb -0.15 -2.56 0.12 0.00 -0.52 0.00 0.00 37.83 34.72 2eed s LYS 85 CO -0.09 0.51 0.17 -0.46 -0.92 0.00 0.00 175.35 174.56 2eed s TRP 86 N -1.55 1.83 -0.73 3.18 -0.11 -0.32 -3.51 118.94 117.73 2eed s TRP 86 Ca 0.28 -2.10 -0.04 0.00 1.22 0.00 0.00 56.10 55.46 2eed s TRP 86 Cb -0.11 -1.78 0.01 0.00 -1.50 0.00 0.00 33.47 30.09 2eed s TRP 86 CO 0.21 -0.83 0.65 0.41 -4.62 0.00 0.00 176.95 172.77 2eed n GLY 87 N 4.13 -1.18 3.49 5.86 0.00 -1.12 -3.20 105.19 113.17 2eed n GLY 87 Ca 0.04 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 2eed n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eed n GLU 88 N -1.85 -6.39 -3.82 1.61 1.02 -1.26 -4.99 120.64 104.96 2eed n GLU 88 Ca -0.11 0.81 -0.06 0.00 -0.02 0.00 0.00 57.16 57.77 2eed n GLU 88 Cb 0.58 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 2eed n GLU 88 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2eed s GLU 89 N -5.51 1.73 -0.20 3.49 2.02 -1.19 -5.12 118.70 113.91 2eed s GLU 89 Ca 0.03 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.99 2eed s GLU 89 Cb -0.01 0.54 0.05 0.00 0.10 0.00 0.00 34.13 34.80 2eed s GLU 89 CO 0.74 -0.80 -0.07 -1.01 0.02 0.00 0.00 175.26 174.14 2eed s HIS 90 N -3.03 2.22 0.59 1.61 3.76 -1.26 -1.17 115.29 118.01 2eed s HIS 90 Ca 0.14 -1.51 -0.18 0.00 -0.15 0.00 0.00 55.06 53.36 2eed s HIS 90 Cb -0.04 -1.54 -0.10 0.00 1.11 0.00 0.00 32.58 32.01 2eed s HIS 90 CO 0.07 -0.72 0.32 0.44 -0.85 0.00 0.00 174.74 174.00 2eed n ILE 91 N 4.73 1.55 -2.04 0.60 -5.35 -1.00 -4.77 119.36 113.08 2eed n ILE 91 Ca -0.13 -0.49 -0.31 0.00 -0.27 0.00 0.00 62.75 61.56 2eed n ILE 91 Cb 0.46 -0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 37.82 2eed n ILE 91 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2eed s PRO 92 N -1.89 2.58 0.00 6.28 0.04 -1.26 -2.63 135.00 138.11 2eed s PRO 92 Ca 0.64 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2eed s PRO 92 Cb -0.44 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.26 2eed s PRO 92 CO 0.59 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.87 2eed n GLY 93 N 6.48 0.36 3.91 0.56 0.00 -1.26 -5.01 105.19 110.22 2eed n GLY 93 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2eed n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 94 N 0.00 6.22 0.15 1.61 0.15 -1.08 -3.14 113.70 117.62 2eed s SER 94 Ca 0.00 0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.53 2eed s SER 94 Cb 0.00 -1.87 -0.08 0.00 -1.71 0.00 0.00 66.02 62.36 2eed s SER 94 CO 0.00 0.12 1.33 -2.16 1.20 0.00 0.00 173.24 173.74 2eed s PRO 95 N -2.78 4.36 0.33 5.44 0.04 -1.26 -4.93 135.00 136.21 2eed s PRO 95 Ca 0.34 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.16 2eed s PRO 95 Cb -0.12 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2eed s PRO 95 CO 0.27 -0.33 0.97 -0.06 0.04 0.00 0.00 177.00 177.89 2eed s PHE 96 N 0.61 3.61 -0.57 0.56 0.08 -0.68 -4.88 117.98 116.71 2eed s PHE 96 Ca 0.60 1.75 -0.17 0.00 0.12 0.00 0.00 56.93 59.23 2eed s PHE 96 Cb -0.36 -2.98 0.12 0.00 -0.57 0.00 0.00 43.02 39.23 2eed s PHE 96 CO 0.34 0.01 0.60 -1.58 -0.10 0.00 0.00 175.22 174.50 2eed s HIS 97 N -1.60 3.15 -0.47 0.36 5.65 -1.26 -2.33 115.29 118.78 2eed s HIS 97 Ca 0.51 -1.16 -0.17 0.00 0.25 0.00 0.00 55.06 54.49 2eed s HIS 97 Cb -0.20 -3.90 0.05 0.00 -1.18 0.00 0.00 32.58 27.35 2eed s HIS 97 CO 0.25 -1.15 0.50 0.08 -0.65 0.00 0.00 174.74 173.78 2eed s VAL 98 N 2.06 5.05 -0.17 0.89 1.01 -0.96 -4.75 120.40 123.52 2eed s VAL 98 Ca 0.07 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2eed s VAL 98 Cb -0.27 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2eed s VAL 98 CO 0.04 -0.62 0.47 -0.89 0.00 0.00 0.00 175.10 174.09 2eed s THR 99 N 2.19 5.16 -0.08 3.92 2.01 -1.25 -0.11 115.64 127.48 2eed s THR 99 Ca 0.11 0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.99 2eed s THR 99 Cb -0.20 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2eed s THR 99 CO 0.11 0.25 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 2eed s VAL 100 N 1.21 3.45 -2.00 3.82 1.01 -0.02 -3.36 120.40 124.50 2eed s VAL 100 Ca 0.23 -0.56 0.16 0.00 0.00 0.00 0.00 61.98 61.80 2eed s VAL 100 Cb -0.15 -2.41 0.45 0.00 0.00 0.00 0.00 36.38 34.27 2eed s VAL 100 CO 0.09 0.58 1.35 -0.81 0.00 0.00 0.00 175.10 176.30