#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eed s SER 2 N 0.00 6.83 -1.65 1.61 0.15 -1.26 -3.82 113.70 115.56 2eed s SER 2 Ca 0.00 1.69 -0.11 0.00 0.70 0.00 0.00 55.95 58.23 2eed s SER 2 Cb 0.00 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.88 2eed s SER 2 CO 0.00 -0.44 0.45 -1.20 1.20 0.00 0.00 173.24 173.25 2eed n SER 3 N -0.83 -1.17 -3.90 5.45 7.64 -1.26 -4.93 113.62 114.63 2eed n SER 3 Ca 0.07 -1.15 -0.17 0.00 1.01 0.00 0.00 58.87 58.64 2eed n SER 3 Cb 0.54 -2.20 -0.15 0.00 -1.01 0.00 0.00 64.21 61.38 2eed n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eed s GLY 4 N -3.80 0.29 0.05 0.23 0.00 -1.25 -5.15 107.32 97.70 2eed s GLY 4 Ca 0.42 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.09 2eed s GLY 4 CO 0.97 0.21 0.14 -1.35 0.00 0.00 0.00 173.10 173.07 2eed s SER 5 N 0.49 5.98 0.69 1.64 1.04 -1.26 -4.83 113.70 117.45 2eed s SER 5 Ca -0.05 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 2eed s SER 5 Cb -0.09 -1.75 0.04 0.00 0.10 0.00 0.00 66.02 64.32 2eed s SER 5 CO -0.00 0.19 1.03 -0.94 0.98 0.00 0.00 173.24 174.50 2eed s SER 6 N -2.30 5.14 -0.01 7.02 1.04 -1.26 -5.02 113.70 118.32 2eed s SER 6 Ca 0.31 0.77 -0.25 0.00 0.48 0.00 0.00 55.95 57.25 2eed s SER 6 Cb -0.13 -1.52 -0.18 0.00 0.10 0.00 0.00 66.02 64.29 2eed s SER 6 CO 0.23 -1.44 1.27 1.23 0.98 0.00 0.00 173.24 175.52 2eed h GLY 7 N -0.58 -0.13 -7.05 7.32 0.00 -1.99 -3.47 103.07 97.17 2eed h GLY 7 Ca -0.45 0.05 -0.61 0.00 0.00 0.00 0.00 47.33 46.32 2eed h GLY 7 CO 0.62 -0.05 -0.94 1.44 0.00 0.00 0.00 176.54 177.62 2eed n SER 8 N -4.95 0.49 -3.98 0.19 7.64 -1.26 -4.49 113.62 107.27 2eed n SER 8 Ca -0.09 -1.25 -0.25 0.00 1.01 0.00 0.00 58.87 58.30 2eed n SER 8 Cb 0.23 -1.55 -0.17 0.00 -1.01 0.00 0.00 64.21 61.71 2eed n SER 8 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eed s SER 9 N -4.17 1.76 0.10 6.43 0.01 -1.26 -4.53 113.70 112.05 2eed s SER 9 Ca 0.13 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.18 2eed s SER 9 Cb -0.08 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 2eed s SER 9 CO 0.98 -0.02 -0.08 -1.81 0.41 0.00 0.00 173.24 172.73 2eed s ASP 10 N 0.97 4.54 -0.21 2.44 1.01 -0.07 -4.96 116.67 120.40 2eed s ASP 10 Ca -0.09 -0.34 -0.07 0.00 0.71 0.00 0.00 52.55 52.76 2eed s ASP 10 Cb -0.15 -0.92 -0.20 0.00 1.01 0.00 0.00 42.92 42.66 2eed s ASP 10 CO 0.00 0.17 0.03 0.00 0.21 0.00 0.00 175.17 175.58 2eed n ALA 11 N 0.64 1.11 -0.17 5.23 0.00 -1.26 -4.15 120.51 121.91 2eed n ALA 11 Ca -0.13 -0.83 0.29 0.00 0.00 0.00 0.00 53.44 52.77 2eed n ALA 11 Cb 0.52 -0.34 0.71 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.27 0.00 0.85 0.00 0.02 -1.94 0.89 113.55 113.10 2eed h SER 12 Ca -0.51 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.24 2eed h SER 12 Cb 1.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.34 2eed h SER 12 CO -0.09 0.00 -0.93 0.11 -1.14 0.00 0.00 176.83 174.78 2eed h LYS 13 N 0.00 0.04 -6.56 3.45 1.79 -1.88 -3.44 116.57 109.97 2eed h LYS 13 Ca 0.43 -0.06 -0.53 0.00 -2.18 0.00 0.00 60.65 58.31 2eed h LYS 13 Cb 1.93 0.02 0.05 0.00 -1.58 0.00 0.00 32.23 32.65 2eed h LYS 13 CO -0.00 0.93 1.06 0.28 -1.08 0.00 0.00 179.45 180.64 2eed n VAL 14 N -3.49 0.22 -4.22 0.50 0.31 0.31 -4.74 118.33 107.22 2eed n VAL 14 Ca -0.01 -0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.98 2eed n VAL 14 Cb 0.87 -2.04 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 2eed n VAL 14 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2eed s THR 15 N 2.12 3.41 -0.00 2.52 -4.23 -0.97 -4.57 115.64 113.91 2eed s THR 15 Ca 0.80 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2eed s THR 15 Cb -0.50 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 2eed s THR 15 CO 0.36 0.10 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.53 2eed s SER 16 N -2.26 0.70 0.08 3.99 1.04 -1.26 -0.36 113.70 115.62 2eed s SER 16 Ca 0.22 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.57 2eed s SER 16 Cb -0.11 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2eed s SER 16 CO 0.14 0.07 -0.10 -1.59 0.98 0.00 0.00 173.24 172.75 2eed s LYS 17 N -0.15 0.74 0.00 4.02 -2.85 0.11 -4.99 119.74 116.61 2eed s LYS 17 Ca 0.02 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 2eed s LYS 17 Cb -0.02 -0.46 0.00 0.00 -2.06 0.00 0.00 37.83 35.29 2eed s LYS 17 CO -0.00 0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2eed n GLY 18 N 0.90 1.01 0.13 0.59 0.00 -1.26 -0.76 105.19 105.79 2eed n GLY 18 Ca -0.19 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.57 2eed n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eed n ALA 19 N -1.01 1.09 -0.58 4.61 0.00 -1.24 -4.26 120.51 119.13 2eed n ALA 19 Ca 0.00 -0.81 0.47 0.00 0.00 0.00 0.00 53.44 53.10 2eed n ALA 19 Cb 0.00 -0.37 0.77 0.00 0.00 0.00 0.00 19.45 19.85 2eed n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2eed h GLY 20 N 0.77 0.00 1.55 0.00 0.00 -1.60 1.65 103.07 105.44 2eed h GLY 20 Ca -0.50 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.58 2eed h GLY 20 CO -0.09 0.00 -1.07 1.41 0.00 0.00 0.00 176.54 176.80 2eed h LEU 21 N 0.00 0.52 0.00 3.11 3.38 -1.85 -3.37 115.31 117.11 2eed h LEU 21 Ca 0.81 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 2eed h LEU 21 Cb 3.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 43.97 2eed h LEU 21 CO -0.01 1.30 -0.27 -1.28 0.09 0.00 0.00 178.44 178.26 2eed h SER 22 N 0.18 0.00 -5.02 -0.43 0.87 0.20 -3.39 113.55 105.96 2eed h SER 22 Ca -0.11 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 59.91 2eed h SER 22 Cb 1.73 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.54 2eed h SER 22 CO 0.18 0.90 0.04 -1.59 -0.53 0.00 0.00 176.83 175.83 2eed s LYS 23 N -2.04 1.07 0.41 2.24 -2.85 0.11 -3.78 119.74 114.89 2eed s LYS 23 Ca -0.14 -0.33 0.04 0.00 -1.00 0.00 0.00 55.97 54.54 2eed s LYS 23 Cb 0.00 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2eed s LYS 23 CO 0.40 -0.40 0.04 0.00 0.10 0.00 0.00 175.35 175.50 2eed s ALA 24 N -2.79 3.13 0.00 0.59 0.00 -1.23 -3.51 121.76 117.95 2eed s ALA 24 Ca -0.03 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2eed s ALA 24 Cb -0.00 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 2eed s ALA 24 CO -0.04 -0.19 -0.02 -0.06 0.00 0.00 0.00 175.76 175.45 2eed s PHE 25 N -3.01 0.18 0.31 0.00 0.40 -1.26 -4.09 117.98 110.50 2eed s PHE 25 Ca 0.26 -0.07 -0.29 0.00 -0.60 0.00 0.00 56.93 56.23 2eed s PHE 25 Cb 0.06 -0.12 -0.11 0.00 0.51 0.00 0.00 43.02 43.37 2eed s PHE 25 CO 0.13 -0.02 1.52 0.08 0.70 0.00 0.00 175.22 177.64 2eed s VAL 26 N -0.15 2.22 0.00 -0.44 1.01 -1.26 -2.84 120.40 118.93 2eed s VAL 26 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2eed s VAL 26 Cb -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2eed s VAL 26 CO -0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2eed n GLY 27 N 1.68 1.25 2.43 4.51 0.00 -0.09 -4.94 105.19 110.03 2eed n GLY 27 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.54 -3.96 1.61 6.02 -1.13 -4.86 117.38 112.52 2eed n GLN 28 Ca 0.00 -0.83 -0.31 0.00 -0.01 0.00 0.00 57.00 55.85 2eed n GLN 28 Cb 0.00 -1.31 -0.15 0.00 1.02 0.00 0.00 30.24 29.80 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 -3.78 1.62 -0.21 -1.09 2.20 -1.26 -4.46 119.74 112.75 2eed s LYS 29 Ca 0.38 -1.26 -0.25 0.00 -0.36 0.00 0.00 55.97 54.49 2eed s LYS 29 Cb -0.07 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 2eed s LYS 29 CO 0.32 -0.71 0.83 -1.12 -0.36 0.00 0.00 175.35 174.31 2eed s SER 30 N 1.25 6.88 0.12 1.43 0.01 -0.98 -4.94 113.70 117.48 2eed s SER 30 Ca -0.01 1.09 0.09 0.00 1.31 0.00 0.00 55.95 58.44 2eed s SER 30 Cb -0.19 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2eed s SER 30 CO -0.08 -0.46 -0.23 -0.94 0.41 0.00 0.00 173.24 171.94 2eed s SER 31 N 1.25 2.90 -0.18 2.44 1.04 -1.26 -1.36 113.70 118.54 2eed s SER 31 Ca 0.36 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 2eed s SER 31 Cb -0.16 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.84 2eed s SER 31 CO 0.10 0.10 0.45 0.72 0.98 0.00 0.00 173.24 175.58 2eed s PHE 32 N -1.22 -0.57 -0.02 5.02 -0.71 -0.82 -3.50 117.98 116.18 2eed s PHE 32 Ca 0.11 1.29 -0.02 0.00 -1.04 0.00 0.00 56.93 57.26 2eed s PHE 32 Cb -0.10 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2eed s PHE 32 CO 0.05 -0.29 0.14 -1.17 -1.34 0.00 0.00 175.22 172.61 2eed s LEU 33 N 0.76 4.21 -0.20 -1.99 1.98 0.06 -2.57 118.68 120.92 2eed s LEU 33 Ca -0.04 0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.49 2eed s LEU 33 Cb -0.05 -2.46 0.05 0.00 0.66 0.00 0.00 46.19 44.39 2eed s LEU 33 CO -0.06 0.28 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.93 2eed s VAL 34 N -1.26 1.40 0.03 1.68 1.01 -0.97 -0.71 120.40 121.58 2eed s VAL 34 Ca 0.25 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 2eed s VAL 34 Cb -0.12 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 2eed s VAL 34 CO 0.16 0.04 0.70 -1.81 0.00 0.00 0.00 175.10 174.19 2eed s ASP 35 N 1.48 7.13 -0.12 3.32 1.11 0.52 -2.02 116.67 128.08 2eed s ASP 35 Ca -0.02 1.35 0.20 0.00 0.18 0.00 0.00 52.55 54.25 2eed s ASP 35 Cb -0.17 -2.43 0.44 0.00 1.07 0.00 0.00 42.92 41.83 2eed s ASP 35 CO -0.07 0.06 1.18 0.00 1.18 0.00 0.00 175.17 177.51 2eed h SER 37 N 1.31 -0.68 -0.70 0.00 0.02 -1.88 -3.06 113.55 108.56 2eed h SER 37 Ca -0.10 0.03 -0.40 0.00 -0.84 0.00 0.00 61.79 60.49 2eed h SER 37 Cb 1.52 0.19 -0.23 0.00 0.14 0.00 0.00 62.40 64.02 2eed h SER 37 CO 0.13 -0.45 0.27 0.29 -1.14 0.00 0.00 176.83 175.94 2eed n LYS 38 N -5.41 2.20 -0.06 3.45 5.02 -1.26 -4.62 118.16 117.48 2eed n LYS 38 Ca -0.12 -3.20 -0.06 0.00 -2.02 0.00 0.00 58.31 52.92 2eed n LYS 38 Cb 0.31 -2.04 -0.02 0.00 -0.02 0.00 0.00 35.03 33.26 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eed n ALA 39 N -1.09 0.57 0.00 7.82 0.00 -1.16 -4.79 120.51 121.87 2eed n ALA 39 Ca 0.48 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2eed n ALA 39 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.71 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 1.49 1.93 1.84 0.00 0.00 -1.25 -0.89 105.19 108.31 2eed n GLY 40 Ca -0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 2eed n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eed n SER 41 N 0.00 5.95 -3.43 1.61 3.41 -1.26 -4.91 113.62 114.99 2eed n SER 41 Ca 0.00 -3.02 -0.14 0.00 -0.26 0.00 0.00 58.87 55.45 2eed n SER 41 Cb 0.00 -0.99 0.08 0.00 -0.26 0.00 0.00 64.21 63.04 2eed n SER 41 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2eed n ASN 42 N 0.23 0.67 -4.78 4.04 4.13 -1.26 -5.08 115.26 113.22 2eed n ASN 42 Ca 0.30 -1.60 -0.32 0.00 1.68 0.00 0.00 54.58 54.64 2eed n ASN 42 Cb 0.66 -0.41 -0.07 0.00 -1.54 0.00 0.00 39.78 38.42 2eed n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eed s MET 43 N -4.09 2.99 -0.27 3.52 0.23 -1.26 -4.98 119.30 115.43 2eed s MET 43 Ca 0.39 -0.58 -0.07 0.00 -1.03 0.00 0.00 55.69 54.41 2eed s MET 43 Cb -0.02 -2.80 -0.00 0.00 -1.53 0.00 0.00 34.83 30.48 2eed s MET 43 CO 0.26 0.61 0.06 -1.17 -2.03 0.00 0.00 175.02 172.76 2eed s LEU 44 N -2.05 3.63 0.35 0.18 2.96 -1.26 -2.50 118.68 120.00 2eed s LEU 44 Ca 0.26 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2eed s LEU 44 Cb -0.12 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.63 2eed s LEU 44 CO 0.18 -0.13 0.01 -1.48 -1.32 0.00 0.00 176.35 173.60 2eed s LEU 45 N 1.53 2.53 0.06 -0.68 -0.00 -1.23 -5.08 118.68 115.81 2eed s LEU 45 Ca 0.04 -1.33 0.06 0.00 -0.00 0.00 0.00 54.13 52.90 2eed s LEU 45 Cb -0.16 -0.66 -0.03 0.00 -0.00 0.00 0.00 46.19 45.34 2eed s LEU 45 CO 0.02 -0.47 -0.15 -0.63 -0.00 0.00 0.00 176.35 175.11 2eed s ILE 46 N -2.98 1.22 -0.40 1.48 -1.09 -1.26 -3.36 121.20 114.81 2eed s ILE 46 Ca 0.34 -1.22 0.11 0.00 -2.23 0.00 0.00 60.65 57.65 2eed s ILE 46 Cb 0.08 -1.13 0.41 0.00 -1.58 0.00 0.00 42.46 40.24 2eed s ILE 46 CO 0.16 -0.10 0.96 0.61 -1.23 0.00 0.00 174.94 175.34 2eed n GLY 47 N 1.50 3.75 3.57 6.18 0.00 -0.58 -5.00 105.19 114.61 2eed n GLY 47 Ca -0.20 -2.00 -0.55 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.16 0.02 -1.14 1.61 0.24 -1.26 -4.48 118.33 113.16 2eed n VAL 48 Ca 0.24 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.19 2eed n VAL 48 Cb 0.69 -0.57 0.12 0.00 -1.47 0.00 0.00 33.84 32.61 2eed n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2eed n HIS 49 N 2.42 1.15 -2.85 6.34 1.44 -1.26 -4.96 115.22 117.50 2eed n HIS 49 Ca 0.20 0.40 -0.11 0.00 -2.01 0.00 0.00 57.72 56.20 2eed n HIS 49 Cb 0.14 -2.10 0.06 0.00 0.12 0.00 0.00 29.99 28.21 2eed n HIS 49 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2eed n GLY 50 N 0.64 1.56 0.06 -1.39 0.00 -1.26 -4.47 105.19 100.34 2eed n GLY 50 Ca 0.13 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 2.90 0.03 0.00 1.61 0.13 -2.00 -3.45 132.00 131.21 2eed h PRO 51 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2eed h PRO 51 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2eed h PRO 51 CO 0.23 0.51 -0.11 0.25 -0.23 0.00 0.00 178.00 178.65 2eed n THR 52 N -4.83 0.39 -3.76 1.56 -2.24 -1.26 -5.02 114.28 99.11 2eed n THR 52 Ca -0.08 0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 2eed n THR 52 Cb 0.26 -0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 2eed n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2eed s THR 53 N -2.00 1.56 0.00 4.28 2.01 -1.26 -5.12 115.64 115.11 2eed s THR 53 Ca 0.00 -2.53 0.00 0.00 0.31 0.00 0.00 61.69 59.47 2eed s THR 53 Cb 0.00 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2eed s THR 53 CO 0.00 -0.84 0.00 -0.81 -0.69 0.00 0.00 174.62 172.28 2eed n PRO 54 N 3.65 -0.43 -2.41 4.92 -0.04 -1.26 -4.96 135.00 134.47 2eed n PRO 54 Ca 0.07 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 2eed n PRO 54 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 2eed n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eed h GLU 56 N 0.98 1.06 -1.84 0.00 4.39 -1.55 -3.47 114.58 114.15 2eed h GLU 56 Ca -0.47 -0.23 0.25 0.00 0.34 0.00 0.00 59.36 59.24 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 0.61 0.93 0.67 -1.83 -1.16 0.00 0.00 179.01 178.23 2eed s GLU 57 N -5.31 0.71 -0.21 2.33 -1.05 -1.26 -5.01 118.70 108.90 2eed s GLU 57 Ca -0.11 -0.37 -0.04 0.00 -0.15 0.00 0.00 54.97 54.29 2eed s GLU 57 Cb 0.15 0.26 0.07 0.00 -0.44 0.00 0.00 34.13 34.17 2eed s GLU 57 CO 0.83 -0.32 0.08 0.08 0.95 0.00 0.00 175.26 176.88 2eed s VAL 58 N -2.80 0.14 -0.57 1.83 1.01 -1.26 -3.52 120.40 115.24 2eed s VAL 58 Ca 0.12 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 2eed s VAL 58 Cb 0.01 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.61 2eed s VAL 58 CO -0.02 -0.37 0.84 -0.55 0.00 0.00 0.00 175.10 175.00 2eed s SER 59 N 2.02 6.25 -0.19 3.32 0.15 0.55 -4.93 113.70 120.87 2eed s SER 59 Ca 0.03 -0.78 -0.04 0.00 0.70 0.00 0.00 55.95 55.86 2eed s SER 59 Cb -0.16 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2eed s SER 59 CO -0.15 -1.19 -0.02 -0.04 1.20 0.00 0.00 173.24 173.04 2eed s MET 60 N 3.51 3.58 -0.10 5.44 -1.94 -1.26 -1.73 119.30 126.80 2eed s MET 60 Ca 0.22 -0.54 -0.07 0.00 -1.71 0.00 0.00 55.69 53.59 2eed s MET 60 Cb -0.17 -3.02 0.03 0.00 2.01 0.00 0.00 34.83 33.69 2eed s MET 60 CO 0.14 0.03 0.24 0.15 -0.01 0.00 0.00 175.02 175.57 2eed s LYS 61 N 0.92 0.25 -1.23 2.03 -0.14 -0.16 -5.02 119.74 116.39 2eed s LYS 61 Ca 0.01 0.43 -0.13 0.00 -1.36 0.00 0.00 55.97 54.91 2eed s LYS 61 Cb -0.14 0.02 0.17 0.00 -1.68 0.00 0.00 37.83 36.19 2eed s LYS 61 CO 0.02 -0.09 1.53 1.58 -0.76 0.00 0.00 175.35 177.62 2eed n HIS 62 N 3.53 4.62 0.08 3.18 -0.00 -1.26 -0.49 115.22 124.88 2eed n HIS 62 Ca -0.18 -3.24 0.17 0.00 -0.00 0.00 0.00 57.72 54.46 2eed n HIS 62 Cb 0.56 -2.17 0.45 0.00 -0.00 0.00 0.00 29.99 28.83 2eed n HIS 62 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 2eed h VAL 63 N 4.52 0.08 0.00 3.57 -1.51 -1.88 -3.46 116.25 117.56 2eed h VAL 63 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 2eed h VAL 63 Cb 0.83 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2eed h VAL 63 CO 1.32 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.27 2eed n GLY 64 N -1.54 -1.17 2.62 5.19 0.00 -1.15 -4.97 105.19 104.17 2eed n GLY 64 Ca 0.10 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 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 -4.34 -1.48 1.61 3.02 -1.26 0.16 115.26 112.97 2eed n ASN 65 Ca 0.00 0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.46 2eed n ASN 65 Cb 0.00 -3.64 -0.01 0.00 -0.61 0.00 0.00 39.78 35.52 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 -3.07 -1.07 -5.19 3.52 1.13 -1.26 -4.81 117.38 106.63 2eed n GLN 66 Ca -0.14 0.71 -0.32 0.00 -1.94 0.00 0.00 57.00 55.31 2eed n GLN 66 Cb 0.61 -4.94 -0.17 0.00 0.11 0.00 0.00 30.24 25.85 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 -4.44 2.94 -0.24 -1.09 -0.21 0.12 -0.57 119.66 116.18 2eed s GLN 67 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.51 2eed s GLN 67 Cb 0.00 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.75 2eed s GLN 67 CO 0.00 0.24 -0.10 0.71 -2.12 0.00 0.00 175.29 174.02 2eed s TYR 68 N 0.19 3.05 -0.23 0.91 1.51 -0.86 -2.74 117.35 119.19 2eed s TYR 68 Ca -0.14 -1.77 -0.20 0.00 -1.01 0.00 0.00 57.07 53.95 2eed s TYR 68 Cb -0.17 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2eed s TYR 68 CO 0.07 -0.79 0.60 1.21 -1.11 0.00 0.00 175.55 175.54 2eed s ASN 69 N 1.26 6.60 -0.11 2.29 3.04 0.36 -2.28 114.94 126.09 2eed s ASN 69 Ca -0.01 0.73 -0.01 0.00 0.04 0.00 0.00 52.86 53.61 2eed s ASN 69 Cb -0.17 -2.33 0.03 0.00 -1.54 0.00 0.00 41.25 37.25 2eed s ASN 69 CO -0.07 -0.30 -0.02 -0.69 -3.04 0.00 0.00 177.10 172.98 2eed s VAL 70 N 2.16 0.66 0.08 -5.21 1.01 -1.06 -0.99 120.40 117.05 2eed s VAL 70 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2eed s VAL 70 Cb -0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2eed s VAL 70 CO 0.09 0.21 -0.19 -0.89 0.00 0.00 0.00 175.10 174.32 2eed s THR 71 N 1.84 1.55 0.28 3.92 2.01 -0.71 -1.94 115.64 122.59 2eed s THR 71 Ca 0.04 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 60.70 2eed s THR 71 Cb -0.13 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 2eed s THR 71 CO -0.07 -0.01 0.23 -0.72 -0.69 0.00 0.00 174.62 173.36 2eed s TYR 72 N -1.05 1.45 -0.03 4.92 -0.85 -0.46 -0.33 117.35 121.00 2eed s TYR 72 Ca 0.05 -1.51 0.00 0.00 -0.52 0.00 0.00 57.07 55.09 2eed s TYR 72 Cb -0.09 -0.60 0.03 0.00 0.38 0.00 0.00 41.96 41.67 2eed s TYR 72 CO 0.03 -0.79 0.00 0.08 -1.52 0.00 0.00 175.55 173.35 2eed s VAL 73 N -3.73 0.17 -0.06 -3.49 1.01 -1.23 -2.32 120.40 110.76 2eed s VAL 73 Ca 0.39 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2eed s VAL 73 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2eed s VAL 73 CO 0.21 0.15 -0.14 0.68 0.00 0.00 0.00 175.10 176.00 2eed s VAL 74 N 1.12 3.11 -0.70 2.92 -7.23 -1.26 -1.19 120.40 117.17 2eed s VAL 74 Ca -0.08 -0.70 0.12 0.00 -1.81 0.00 0.00 61.98 59.51 2eed s VAL 74 Cb -0.13 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 2eed s VAL 74 CO -0.02 0.58 0.56 0.29 -0.31 0.00 0.00 175.10 176.20 2eed n LYS 75 N 2.43 2.81 -4.37 4.82 4.76 -1.26 -0.91 118.16 126.44 2eed n LYS 75 Ca -0.17 -0.17 -0.22 0.00 -2.87 0.00 0.00 58.31 54.87 2eed n LYS 75 Cb 0.52 -1.08 -0.11 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.98 1.37 0.54 1.97 2.12 -1.26 -4.84 118.70 116.63 2eed s GLU 76 Ca 0.06 -1.51 0.09 0.00 0.36 0.00 0.00 54.97 53.97 2eed s GLU 76 Cb 0.09 -1.41 0.06 0.00 0.26 0.00 0.00 34.13 33.14 2eed s GLU 76 CO 0.44 0.28 0.68 1.03 -0.54 0.00 0.00 175.26 177.14 2eed s ARG 77 N -3.06 2.36 0.00 4.30 3.00 -1.26 -4.83 118.95 119.47 2eed s ARG 77 Ca 0.20 -1.67 0.00 0.00 0.00 0.00 0.00 55.73 54.26 2eed s ARG 77 Cb -0.05 -2.54 0.00 0.00 0.00 0.00 0.00 34.95 32.36 2eed s ARG 77 CO 0.08 -0.72 0.00 0.41 0.00 0.00 0.00 175.30 175.07 2eed n GLY 78 N -2.08 0.78 3.55 -3.53 0.00 -1.26 -4.97 105.19 97.69 2eed n GLY 78 Ca 0.11 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2eed n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eed s ASP 79 N -1.07 5.77 0.29 1.61 1.01 -1.26 -3.18 116.67 119.84 2eed s ASP 79 Ca 0.00 -0.26 -0.22 0.00 0.71 0.00 0.00 52.55 52.78 2eed s ASP 79 Cb 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 2eed s ASP 79 CO 0.00 -2.09 0.83 -0.31 0.21 0.00 0.00 175.17 173.81 2eed s TYR 80 N 7.28 3.61 -0.32 4.23 1.51 0.69 -4.95 117.35 129.40 2eed s TYR 80 Ca 0.51 1.54 0.03 0.00 -1.01 0.00 0.00 57.07 58.14 2eed s TYR 80 Cb -0.09 -2.74 0.09 0.00 -0.11 0.00 0.00 41.96 39.11 2eed s TYR 80 CO 0.14 0.23 0.02 0.08 -1.11 0.00 0.00 175.55 174.90 2eed s VAL 81 N -1.66 2.07 -0.31 0.71 1.01 -1.26 -2.21 120.40 118.75 2eed s VAL 81 Ca 0.48 -2.06 -0.24 0.00 0.00 0.00 0.00 61.98 60.17 2eed s VAL 81 Cb -0.16 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2eed s VAL 81 CO 0.21 -0.48 0.83 -0.22 0.00 0.00 0.00 175.10 175.45 2eed s LEU 82 N 1.04 4.07 -0.36 3.92 2.96 -1.19 -4.07 118.68 125.05 2eed s LEU 82 Ca 0.06 0.74 -0.08 0.00 -0.22 0.00 0.00 54.13 54.64 2eed s LEU 82 Cb -0.19 -3.15 0.05 0.00 0.50 0.00 0.00 46.19 43.39 2eed s LEU 82 CO -0.09 -0.65 0.15 0.00 -1.32 0.00 0.00 176.35 174.44 2eed s ALA 83 N 3.06 3.13 -0.22 5.97 0.00 -1.26 -2.17 121.76 130.26 2eed s ALA 83 Ca 0.34 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.48 2eed s ALA 83 Cb -0.14 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.61 2eed s ALA 83 CO 0.13 -1.41 -0.13 0.08 0.00 0.00 0.00 175.76 174.42 2eed s VAL 84 N 1.43 2.38 0.16 0.00 1.01 -1.26 -1.53 120.40 122.59 2eed s VAL 84 Ca 0.00 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.89 2eed s VAL 84 Cb -0.20 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2eed s VAL 84 CO 0.03 0.29 0.23 -0.54 0.00 0.00 0.00 175.10 175.11 2eed s LYS 85 N 1.26 3.20 -0.48 2.72 1.02 -1.21 -2.73 119.74 123.51 2eed s LYS 85 Ca 0.00 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.29 2eed s LYS 85 Cb -0.16 -2.82 0.15 0.00 -0.52 0.00 0.00 37.83 34.49 2eed s LYS 85 CO -0.08 0.50 0.31 -0.46 -0.92 0.00 0.00 175.35 174.70 2eed s TRP 86 N -1.78 2.05 -0.66 3.18 -0.11 0.27 -3.54 118.94 118.36 2eed s TRP 86 Ca 0.33 -2.56 -0.06 0.00 1.22 0.00 0.00 56.10 55.03 2eed s TRP 86 Cb -0.10 -1.79 0.01 0.00 -1.50 0.00 0.00 33.47 30.08 2eed s TRP 86 CO 0.26 -0.74 0.66 0.41 -4.62 0.00 0.00 176.95 172.92 2eed n GLY 87 N 3.07 -1.20 3.53 5.86 0.00 -1.04 -3.39 105.19 112.02 2eed n GLY 87 Ca 0.16 0.72 -0.23 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.42 -7.76 -3.90 1.61 1.02 -1.26 -4.98 120.64 103.95 2eed n GLU 88 Ca -0.01 0.80 -0.10 0.00 -0.02 0.00 0.00 57.16 57.84 2eed n GLU 88 Cb 0.52 -5.78 -0.01 0.00 -0.02 0.00 0.00 31.44 26.15 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 -6.28 1.98 -0.19 3.49 2.02 -1.22 -5.14 118.70 113.36 2eed s GLU 89 Ca 0.57 -1.38 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 2eed s GLU 89 Cb -0.25 0.56 0.05 0.00 0.10 0.00 0.00 34.13 34.59 2eed s GLU 89 CO 0.71 -0.89 -0.05 -1.01 0.02 0.00 0.00 175.26 174.04 2eed s HIS 90 N -3.04 1.91 0.59 1.61 3.76 -1.26 -0.57 115.29 118.28 2eed s HIS 90 Ca 0.18 -1.32 -0.18 0.00 -0.15 0.00 0.00 55.06 53.60 2eed s HIS 90 Cb -0.04 -1.40 -0.11 0.00 1.11 0.00 0.00 32.58 32.15 2eed s HIS 90 CO 0.12 -0.68 0.24 0.44 -0.85 0.00 0.00 174.74 174.01 2eed n ILE 91 N 4.81 1.30 -2.04 0.60 -5.35 -1.11 -4.78 119.36 112.81 2eed n ILE 91 Ca -0.12 -0.49 -0.37 0.00 -0.27 0.00 0.00 62.75 61.51 2eed n ILE 91 Cb 0.46 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.79 2.61 0.00 6.28 0.04 -1.26 -2.71 135.00 138.17 2eed s PRO 92 Ca 0.63 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2eed s PRO 92 Cb -0.44 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.63 2eed s PRO 92 CO 0.60 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2eed n GLY 93 N 5.84 0.63 3.93 0.56 0.00 -1.26 -5.00 105.19 109.88 2eed n GLY 93 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 6.37 0.19 1.61 0.15 -1.10 -3.27 113.70 117.64 2eed s SER 94 Ca 0.00 0.28 -0.30 0.00 0.70 0.00 0.00 55.95 56.62 2eed s SER 94 Cb 0.00 -1.96 -0.09 0.00 -1.71 0.00 0.00 66.02 62.27 2eed s SER 94 CO 0.00 0.09 1.31 -2.16 1.20 0.00 0.00 173.24 173.68 2eed s PRO 95 N -2.87 4.39 0.50 5.44 0.04 -1.26 -4.93 135.00 136.29 2eed s PRO 95 Ca 0.36 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.25 2eed s PRO 95 Cb -0.12 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.14 2eed s PRO 95 CO 0.28 -0.26 1.02 -0.06 0.04 0.00 0.00 177.00 178.01 2eed s PHE 96 N 0.21 3.12 -0.50 0.56 0.40 -0.92 -4.89 117.98 115.96 2eed s PHE 96 Ca 0.57 1.56 -0.14 0.00 -0.60 0.00 0.00 56.93 58.32 2eed s PHE 96 Cb -0.36 -2.98 0.11 0.00 0.51 0.00 0.00 43.02 40.30 2eed s PHE 96 CO 0.37 -0.67 0.42 -1.58 0.70 0.00 0.00 175.22 174.46 2eed s HIS 97 N -2.18 3.30 -0.22 0.36 5.65 -1.26 -3.15 115.29 117.78 2eed s HIS 97 Ca 0.64 -1.36 -0.07 0.00 0.25 0.00 0.00 55.06 54.53 2eed s HIS 97 Cb -0.14 -3.51 -0.03 0.00 -1.18 0.00 0.00 32.58 27.72 2eed s HIS 97 CO 0.23 -0.95 0.05 0.08 -0.65 0.00 0.00 174.74 173.50 2eed s VAL 98 N 1.54 4.31 -0.17 0.89 1.01 -0.94 -4.65 120.40 122.39 2eed s VAL 98 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2eed s VAL 98 Cb -0.27 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2eed s VAL 98 CO 0.03 0.38 -0.03 -0.89 0.00 0.00 0.00 175.10 174.59 2eed s THR 99 N 1.21 3.84 -0.14 3.92 2.01 -1.25 -0.23 115.64 125.01 2eed s THR 99 Ca 0.04 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 2eed s THR 99 Cb -0.14 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 2eed s THR 99 CO 0.03 0.47 0.21 -0.69 -0.69 0.00 0.00 174.62 173.95 2eed s VAL 100 N 0.62 5.36 -2.00 3.82 1.01 -1.19 -3.51 120.40 124.52 2eed s VAL 100 Ca -0.02 0.38 0.16 0.00 0.00 0.00 0.00 61.98 62.49 2eed s VAL 100 Cb -0.14 -3.52 0.45 0.00 0.00 0.00 0.00 36.38 33.16 2eed s VAL 100 CO 0.02 0.50 1.35 -0.81 0.00 0.00 0.00 175.10 176.16