#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 6.39 0.00 1.61 0.15 -1.26 -4.78 113.70 115.81 2eed s SER 2 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2eed s SER 2 Cb 0.00 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2eed s SER 2 CO 0.00 -1.23 0.00 -1.54 1.20 0.00 0.00 173.24 171.67 2eed n SER 3 N 7.55 2.18 0.00 5.45 3.41 -1.26 -5.16 113.62 125.79 2eed n SER 3 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2eed n SER 3 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2eed n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eed n GLY 4 N 3.17 -0.92 3.41 5.00 0.00 -1.26 -5.17 105.19 109.43 2eed n GLY 4 Ca 0.00 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 2eed n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eed s SER 5 N -4.00 2.11 -0.23 1.61 1.04 -1.26 -5.15 113.70 107.82 2eed s SER 5 Ca 0.00 -1.59 -0.04 0.00 0.48 0.00 0.00 55.95 54.81 2eed s SER 5 Cb 0.00 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.62 2eed s SER 5 CO 0.00 -0.88 0.36 -0.55 0.98 0.00 0.00 173.24 173.16 2eed s SER 6 N -3.47 0.28 0.00 7.02 0.15 -1.26 -5.11 113.70 111.31 2eed s SER 6 Ca 0.32 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2eed s SER 6 Cb 0.04 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 2eed s SER 6 CO 0.17 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2eed n GLY 7 N 5.36 1.62 3.67 9.45 0.00 -1.26 -5.02 105.19 119.01 2eed n GLY 7 Ca -0.05 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 2eed n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eed n SER 8 N -0.08 1.24 -4.76 1.61 2.88 -1.26 -4.90 113.62 108.35 2eed n SER 8 Ca 0.00 0.73 -0.41 0.00 -1.33 0.00 0.00 58.87 57.86 2eed n SER 8 Cb 0.00 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 61.96 2eed n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2eed s SER 9 N -1.58 6.64 0.05 -3.46 0.01 -1.26 -4.96 113.70 109.15 2eed s SER 9 Ca 0.78 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.77 2eed s SER 9 Cb -0.36 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.20 2eed s SER 9 CO 0.46 -0.68 0.17 -0.62 0.41 0.00 0.00 173.24 172.98 2eed s ASP 10 N 0.05 6.12 -0.15 2.44 -1.08 -1.20 -4.96 116.67 117.90 2eed s ASP 10 Ca 0.55 0.20 -0.02 0.00 -0.52 0.00 0.00 52.55 52.77 2eed s ASP 10 Cb -0.42 -1.83 -0.24 0.00 -1.46 0.00 0.00 42.92 38.97 2eed s ASP 10 CO 0.49 0.19 0.26 0.00 0.52 0.00 0.00 175.17 176.62 2eed n ALA 11 N 0.46 1.10 0.17 3.66 0.00 -1.26 -4.04 120.51 120.60 2eed n ALA 11 Ca -0.07 -0.76 0.10 0.00 0.00 0.00 0.00 53.44 52.71 2eed n ALA 11 Cb 0.51 -0.55 0.52 0.00 0.00 0.00 0.00 19.45 19.93 2eed n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2eed h SER 12 N 0.05 0.00 0.38 0.00 0.87 -1.94 0.14 113.55 113.05 2eed h SER 12 Ca -0.45 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.80 2eed h SER 12 Cb 2.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.93 2eed h SER 12 CO 0.05 0.00 -1.79 0.11 -0.53 0.00 0.00 176.83 174.67 2eed h LYS 13 N 0.00 0.09 -6.88 2.24 1.79 -1.94 -3.45 116.57 108.43 2eed h LYS 13 Ca 0.00 -0.16 -0.54 0.00 -2.18 0.00 0.00 60.65 57.77 2eed h LYS 13 Cb 0.28 0.06 0.11 0.00 -1.58 0.00 0.00 32.23 31.09 2eed h LYS 13 CO 0.00 0.75 0.75 0.28 -1.08 0.00 0.00 179.45 180.15 2eed n VAL 14 N -3.20 1.82 -4.52 0.50 0.31 0.51 -4.68 118.33 109.07 2eed n VAL 14 Ca -0.21 -0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 63.42 2eed n VAL 14 Cb 1.05 -1.91 -0.14 0.00 -0.91 0.00 0.00 33.84 31.93 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 -0.92 1.50 -0.01 2.52 -4.23 -0.84 -4.60 115.64 109.06 2eed s THR 15 Ca 0.55 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2eed s THR 15 Cb -0.50 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 2eed s THR 15 CO 0.61 0.12 -0.12 -0.94 -0.54 0.00 0.00 174.62 173.74 2eed s SER 16 N -1.24 1.45 0.11 3.99 1.04 -1.26 -0.22 113.70 117.56 2eed s SER 16 Ca 0.06 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.28 2eed s SER 16 Cb -0.09 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 2eed s SER 16 CO 0.02 0.14 -0.07 -1.59 0.98 0.00 0.00 173.24 172.72 2eed s LYS 17 N -0.24 0.87 0.00 4.02 0.00 -0.30 -5.01 119.74 119.08 2eed s LYS 17 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 55.97 54.66 2eed s LYS 17 Cb -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 37.83 37.48 2eed s LYS 17 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.35 175.76 2eed n GLY 18 N -0.04 4.02 0.09 0.59 0.00 -1.26 -1.80 105.19 106.79 2eed n GLY 18 Ca -0.12 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 0.10 -1.42 4.61 0.00 -1.88 -3.15 119.26 117.52 2eed h ALA 19 Ca 0.00 -0.28 0.48 0.00 0.00 0.00 0.00 54.91 55.11 2eed h ALA 19 Cb 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.63 2eed h ALA 19 CO 0.00 -0.09 0.93 0.78 0.00 0.00 0.00 179.25 180.87 2eed h GLY 20 N -0.26 1.26 1.32 0.00 0.00 -1.66 1.59 103.07 105.32 2eed h GLY 20 Ca 0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2eed h GLY 20 CO 0.02 -0.43 -0.48 1.41 0.00 0.00 0.00 176.54 177.05 2eed h LEU 21 N 0.02 0.79 0.00 3.11 3.38 -1.84 -3.34 115.31 117.43 2eed h LEU 21 Ca 0.88 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2eed h LEU 21 Cb 2.87 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 43.40 2eed h LEU 21 CO -0.42 1.14 -0.09 -1.28 0.09 0.00 0.00 178.44 177.88 2eed h SER 22 N 0.57 0.00 -4.71 -0.43 0.87 0.20 -3.39 113.55 106.65 2eed h SER 22 Ca 0.03 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.12 2eed h SER 22 Cb 1.05 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.80 2eed h SER 22 CO 0.10 0.73 -0.20 -1.59 -0.53 0.00 0.00 176.83 175.34 2eed s LYS 23 N -1.86 0.68 0.13 2.24 -2.85 0.14 -3.36 119.74 114.85 2eed s LYS 23 Ca -0.09 0.06 0.09 0.00 -1.00 0.00 0.00 55.97 55.03 2eed s LYS 23 Cb -0.01 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2eed s LYS 23 CO 0.27 -0.17 -0.21 0.00 0.10 0.00 0.00 175.35 175.34 2eed s ALA 24 N -0.92 1.96 -0.10 0.59 0.00 -1.18 -3.50 121.76 118.61 2eed s ALA 24 Ca -0.10 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2eed s ALA 24 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2eed s ALA 24 CO 0.04 0.34 -0.18 -0.06 0.00 0.00 0.00 175.76 175.90 2eed s PHE 25 N -1.47 2.68 0.21 0.00 0.08 -1.26 -4.00 117.98 114.23 2eed s PHE 25 Ca 0.11 -0.72 -0.31 0.00 0.12 0.00 0.00 56.93 56.13 2eed s PHE 25 Cb -0.08 -1.76 -0.15 0.00 -0.57 0.00 0.00 43.02 40.46 2eed s PHE 25 CO 0.05 -0.23 1.13 0.28 -0.10 0.00 0.00 175.22 176.35 2eed n VAL 26 N 3.33 1.24 0.00 -0.44 0.31 -1.26 -1.66 118.33 119.86 2eed n VAL 26 Ca -0.18 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2eed n VAL 26 Cb 0.53 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 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 1.79 1.61 3.77 2.92 0.00 -0.94 -4.96 105.19 109.39 2eed n GLY 27 Ca 0.13 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2eed n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eed s GLN 28 N 0.00 4.15 -0.67 1.61 -0.21 -0.66 -4.86 119.66 119.03 2eed s GLN 28 Ca 0.00 2.51 -0.22 0.00 0.02 0.00 0.00 55.36 57.67 2eed s GLN 28 Cb 0.00 -3.00 0.07 0.00 1.00 0.00 0.00 33.01 31.09 2eed s GLN 28 CO 0.00 -0.49 0.97 0.21 -2.12 0.00 0.00 175.29 173.85 2eed s LYS 29 N -1.75 3.12 0.04 2.91 2.20 -1.26 -4.54 119.74 120.46 2eed s LYS 29 Ca 0.54 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2eed s LYS 29 Cb -0.46 -4.25 -0.04 0.00 -1.51 0.00 0.00 37.83 31.57 2eed s LYS 29 CO 0.59 -1.82 1.05 -1.12 -0.36 0.00 0.00 175.35 173.69 2eed s SER 30 N 3.69 7.29 0.19 1.43 0.01 -1.01 -4.87 113.70 120.43 2eed s SER 30 Ca 0.22 1.80 0.11 0.00 1.31 0.00 0.00 55.95 59.39 2eed s SER 30 Cb -0.17 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2eed s SER 30 CO 0.10 -0.30 -0.23 -0.94 0.41 0.00 0.00 173.24 172.28 2eed s SER 31 N 0.85 3.30 -0.24 2.44 1.04 -1.26 -1.84 113.70 118.00 2eed s SER 31 Ca 0.53 -0.87 -0.18 0.00 0.48 0.00 0.00 55.95 55.91 2eed s SER 31 Cb -0.24 -0.24 0.07 0.00 0.10 0.00 0.00 66.02 65.71 2eed s SER 31 CO 0.29 0.09 0.61 0.72 0.98 0.00 0.00 173.24 175.94 2eed s PHE 32 N -1.75 -0.80 0.09 5.02 -0.71 -0.93 -3.85 117.98 115.05 2eed s PHE 32 Ca 0.20 1.77 0.02 0.00 -1.04 0.00 0.00 56.93 57.88 2eed s PHE 32 Cb -0.07 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 2eed s PHE 32 CO 0.09 -0.40 0.16 -1.17 -1.34 0.00 0.00 175.22 172.57 2eed s LEU 33 N 0.90 4.08 -0.17 -1.99 2.96 -0.75 -1.91 118.68 121.81 2eed s LEU 33 Ca -0.05 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2eed s LEU 33 Cb -0.05 -2.71 0.05 0.00 0.50 0.00 0.00 46.19 43.98 2eed s LEU 33 CO -0.08 0.14 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 2eed s VAL 34 N -1.52 0.90 -0.35 1.68 1.01 -1.00 -1.15 120.40 119.96 2eed s VAL 34 Ca 0.32 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2eed s VAL 34 Cb -0.12 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2eed s VAL 34 CO 0.25 0.02 0.88 -0.62 0.00 0.00 0.00 175.10 175.63 2eed s ASP 35 N 1.71 6.66 -0.12 3.32 2.15 0.70 -2.87 116.67 128.23 2eed s ASP 35 Ca -0.00 0.57 0.15 0.00 0.43 0.00 0.00 52.55 53.69 2eed s ASP 35 Cb -0.16 -2.44 0.41 0.00 -0.30 0.00 0.00 42.92 40.42 2eed s ASP 35 CO -0.07 -0.79 1.31 0.00 -0.17 0.00 0.00 175.17 175.45 2eed h SER 37 N 1.45 -0.90 0.25 0.00 0.87 -1.89 -1.95 113.55 111.38 2eed h SER 37 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2eed h SER 37 Cb 1.15 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2eed h SER 37 CO 0.12 -0.52 0.00 0.07 -0.53 0.00 0.00 176.83 175.98 2eed h LYS 38 N -0.81 0.00 0.00 2.24 2.10 -1.90 -3.21 116.57 114.98 2eed h LYS 38 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2eed h LYS 38 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2eed h LYS 38 CO 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.49 2eed n ALA 39 N -1.88 -0.29 0.00 0.07 0.00 -0.75 -4.89 120.51 112.77 2eed n ALA 39 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2eed n ALA 39 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.39 -0.57 2.50 0.00 0.00 -1.08 -3.21 105.19 102.44 2eed n GLY 40 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 2.58 -4.77 1.61 3.41 -1.26 -4.84 113.62 110.36 2eed n SER 41 Ca 0.00 -3.29 -0.34 0.00 -0.26 0.00 0.00 58.87 54.99 2eed n SER 41 Cb 0.00 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 2eed n SER 41 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2eed s ASN 42 N -2.63 4.14 0.13 4.04 -0.87 -1.26 -4.88 114.94 113.60 2eed s ASN 42 Ca 0.43 -1.71 -0.01 0.00 -1.57 0.00 0.00 52.86 50.00 2eed s ASN 42 Cb 0.26 0.68 -0.04 0.00 -0.02 0.00 0.00 41.25 42.13 2eed s ASN 42 CO -0.09 -0.93 0.30 0.00 -2.57 0.00 0.00 177.10 173.81 2eed s MET 43 N -3.90 3.49 -0.19 -0.60 0.23 -1.26 -4.96 119.30 112.12 2eed s MET 43 Ca 0.01 -0.38 -0.00 0.00 -1.03 0.00 0.00 55.69 54.29 2eed s MET 43 Cb 0.00 -2.94 0.01 0.00 -1.53 0.00 0.00 34.83 30.37 2eed s MET 43 CO 0.01 0.52 -0.15 -1.17 -2.03 0.00 0.00 175.02 172.19 2eed s LEU 44 N -2.87 2.37 0.33 0.18 2.96 -1.26 -2.03 118.68 118.36 2eed s LEU 44 Ca 0.37 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2eed s LEU 44 Cb -0.12 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.95 2eed s LEU 44 CO 0.28 0.01 0.05 -1.48 -1.32 0.00 0.00 176.35 173.89 2eed s LEU 45 N 1.26 2.20 0.03 -0.68 -0.00 -1.21 -5.06 118.68 115.22 2eed s LEU 45 Ca 0.03 -1.37 0.04 0.00 -0.00 0.00 0.00 54.13 52.83 2eed s LEU 45 Cb -0.14 -0.40 -0.02 0.00 -0.00 0.00 0.00 46.19 45.64 2eed s LEU 45 CO -0.08 -0.60 -0.13 -0.63 -0.00 0.00 0.00 176.35 174.91 2eed s ILE 46 N -3.28 0.99 -0.44 1.48 -1.09 -1.26 -3.01 121.20 114.59 2eed s ILE 46 Ca 0.36 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 57.99 2eed s ILE 46 Cb 0.09 -0.90 0.39 0.00 -1.58 0.00 0.00 42.46 40.46 2eed s ILE 46 CO 0.15 0.02 0.95 0.61 -1.23 0.00 0.00 174.94 175.44 2eed n GLY 47 N 2.06 4.41 3.43 6.18 0.00 0.36 -5.00 105.19 116.63 2eed n GLY 47 Ca -0.17 -2.22 -0.47 0.00 0.00 0.00 0.00 46.02 43.15 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 0.03 -2.90 1.61 0.24 -1.26 -4.29 118.33 111.61 2eed n VAL 48 Ca 0.27 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.34 62.00 2eed n VAL 48 Cb 0.62 -1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 31.81 2eed n VAL 48 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2eed s HIS 49 N 8.32 3.87 -0.82 6.34 2.46 -1.24 -4.92 115.29 129.31 2eed s HIS 49 Ca 1.20 1.71 0.02 0.00 0.47 0.00 0.00 55.06 58.45 2eed s HIS 49 Cb -1.06 -2.83 0.30 0.00 -0.13 0.00 0.00 32.58 28.86 2eed s HIS 49 CO 0.50 0.44 1.21 0.41 -2.47 0.00 0.00 174.74 174.83 2eed n GLY 50 N 1.32 5.40 0.21 1.59 0.00 -1.26 -4.57 105.19 107.88 2eed n GLY 50 Ca -0.03 -2.71 0.07 0.00 0.00 0.00 0.00 46.02 43.35 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 4.19 0.00 0.00 1.61 0.13 -1.94 -3.38 132.00 132.61 2eed h PRO 51 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2eed h PRO 51 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2eed h PRO 51 CO 1.03 0.30 -0.78 0.25 -0.23 0.00 0.00 178.00 178.57 2eed n THR 52 N -3.61 0.00 -3.65 1.56 -2.24 -1.26 -5.08 114.28 99.99 2eed n THR 52 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2eed n THR 52 Cb 0.42 -0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.83 -0.03 0.68 4.28 2.01 -1.26 -5.16 115.64 114.33 2eed s THR 53 Ca 0.00 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 2eed s THR 53 Cb 0.00 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.59 2eed s THR 53 CO 0.00 0.01 1.11 -2.16 -0.69 0.00 0.00 174.62 172.88 2eed s PRO 54 N 1.62 2.68 0.30 4.92 0.04 -1.26 -4.69 135.00 138.61 2eed s PRO 54 Ca -0.10 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 2eed s PRO 54 Cb -0.06 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2eed s PRO 54 CO -0.19 -1.34 0.62 0.00 0.04 0.00 0.00 177.00 176.14 2eed h GLU 56 N 2.00 0.92 -2.25 0.00 4.39 -1.34 -3.48 114.58 114.82 2eed h GLU 56 Ca -0.47 -0.14 0.26 0.00 0.34 0.00 0.00 59.36 59.34 2eed h GLU 56 Cb 1.18 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 2eed h GLU 56 CO 0.67 0.74 0.74 -1.83 -1.16 0.00 0.00 179.01 178.16 2eed s GLU 57 N -5.68 0.83 -0.25 2.33 -1.05 -1.26 -5.00 118.70 108.61 2eed s GLU 57 Ca -0.13 -0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 54.15 2eed s GLU 57 Cb 0.13 0.24 0.12 0.00 -0.44 0.00 0.00 34.13 34.18 2eed s GLU 57 CO 0.79 -0.39 0.30 0.08 0.95 0.00 0.00 175.26 177.00 2eed s VAL 58 N -2.18 -0.45 -0.36 1.83 1.01 -1.26 -3.64 120.40 115.36 2eed s VAL 58 Ca 0.24 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 2eed s VAL 58 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2eed s VAL 58 CO 0.02 -0.29 0.56 -0.55 0.00 0.00 0.00 175.10 174.84 2eed s SER 59 N 2.41 6.35 -0.19 3.32 0.15 0.12 -4.94 113.70 120.92 2eed s SER 59 Ca 0.09 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2eed s SER 59 Cb -0.15 -2.29 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 2eed s SER 59 CO -0.22 -0.55 -0.16 -0.04 1.20 0.00 0.00 173.24 173.47 2eed s MET 60 N 2.52 3.04 0.11 5.44 -1.94 -1.26 -0.78 119.30 126.43 2eed s MET 60 Ca 0.21 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 2eed s MET 60 Cb -0.15 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 2eed s MET 60 CO 0.14 -0.23 -0.09 0.15 -0.01 0.00 0.00 175.02 174.98 2eed s LYS 61 N 1.32 0.89 -0.89 2.03 3.01 0.17 -4.99 119.74 121.28 2eed s LYS 61 Ca 0.05 -1.25 -0.05 0.00 -1.01 0.00 0.00 55.97 53.70 2eed s LYS 61 Cb -0.14 -0.50 0.22 0.00 -1.01 0.00 0.00 37.83 36.41 2eed s LYS 61 CO -0.11 0.06 0.80 -1.58 0.51 0.00 0.00 175.35 175.04 2eed s HIS 62 N -2.84 3.89 0.66 3.18 5.65 -1.26 -0.33 115.29 124.23 2eed s HIS 62 Ca 0.09 -2.79 0.29 0.00 0.25 0.00 0.00 55.06 52.90 2eed s HIS 62 Cb -0.00 -3.44 1.55 0.00 -1.18 0.00 0.00 32.58 29.50 2eed s HIS 62 CO -0.01 -0.83 1.88 -0.39 -0.65 0.00 0.00 174.74 174.74 2eed h VAL 63 N 4.25 0.03 0.00 0.89 -1.51 -1.90 -3.47 116.25 114.53 2eed h VAL 63 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 2eed h VAL 63 Cb 0.88 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2eed h VAL 63 CO 0.86 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.81 2eed n GLY 64 N -1.26 -1.44 2.69 5.19 0.00 -1.20 -4.97 105.19 104.20 2eed n GLY 64 Ca -0.01 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.66 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 -4.59 -1.51 1.61 4.13 -1.26 0.01 115.26 113.65 2eed n ASN 65 Ca 0.00 -0.02 -0.15 0.00 1.68 0.00 0.00 54.58 56.09 2eed n ASN 65 Cb 0.00 -3.83 -0.03 0.00 -1.54 0.00 0.00 39.78 34.38 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eed n GLN 66 N -3.20 -1.14 -4.74 3.52 3.00 -1.26 -4.86 117.38 108.70 2eed n GLN 66 Ca -0.14 0.82 -0.33 0.00 -0.01 0.00 0.00 57.00 57.34 2eed n GLN 66 Cb 0.62 -5.08 -0.14 0.00 0.00 0.00 0.00 30.24 25.64 2eed n GLN 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2eed s GLN 67 N -4.25 3.23 -0.24 -1.09 -0.21 0.10 -2.37 119.66 114.84 2eed s GLN 67 Ca 0.00 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.73 2eed s GLN 67 Cb 0.00 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.43 2eed s GLN 67 CO 0.00 0.32 -0.12 0.71 -2.12 0.00 0.00 175.29 174.08 2eed s TYR 68 N 0.09 3.09 -0.18 0.91 2.02 -1.14 -2.81 117.35 119.34 2eed s TYR 68 Ca -0.05 -1.94 -0.22 0.00 -0.37 0.00 0.00 57.07 54.49 2eed s TYR 68 Cb -0.14 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 2eed s TYR 68 CO 0.04 -0.82 0.69 1.21 -1.57 0.00 0.00 175.55 175.10 2eed s ASN 69 N 1.21 6.78 -0.21 2.29 3.04 0.55 -2.38 114.94 126.23 2eed s ASN 69 Ca -0.03 0.96 -0.01 0.00 0.04 0.00 0.00 52.86 53.82 2eed s ASN 69 Cb -0.17 -2.38 0.06 0.00 -1.54 0.00 0.00 41.25 37.21 2eed s ASN 69 CO -0.07 -0.29 -0.02 -0.69 -3.04 0.00 0.00 177.10 172.99 2eed s VAL 70 N 1.87 1.07 0.07 -5.21 1.01 -0.80 -0.65 120.40 117.76 2eed s VAL 70 Ca 0.32 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2eed s VAL 70 Cb -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2eed s VAL 70 CO 0.11 -0.12 -0.20 -0.89 0.00 0.00 0.00 175.10 174.00 2eed s THR 71 N 1.61 2.64 0.29 3.92 2.01 0.04 -2.19 115.64 123.97 2eed s THR 71 Ca -0.03 -1.37 -0.02 0.00 0.31 0.00 0.00 61.69 60.59 2eed s THR 71 Cb -0.18 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2eed s THR 71 CO -0.07 0.25 0.36 -0.72 -0.69 0.00 0.00 174.62 173.75 2eed s TYR 72 N -0.98 1.13 -0.03 4.92 -0.85 -0.76 0.11 117.35 120.89 2eed s TYR 72 Ca 0.15 -1.30 -0.01 0.00 -0.52 0.00 0.00 57.07 55.38 2eed s TYR 72 Cb -0.10 -0.28 0.02 0.00 0.38 0.00 0.00 41.96 41.97 2eed s TYR 72 CO 0.06 -0.95 0.06 0.08 -1.52 0.00 0.00 175.55 173.28 2eed s VAL 73 N -3.53 -0.03 -0.22 -3.49 1.01 -1.24 -2.41 120.40 110.49 2eed s VAL 73 Ca 0.33 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2eed s VAL 73 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.30 2eed s VAL 73 CO 0.18 0.05 -0.10 0.68 0.00 0.00 0.00 175.10 175.91 2eed s VAL 74 N 0.63 2.81 -0.06 2.92 -7.23 -1.26 -0.76 120.40 117.46 2eed s VAL 74 Ca -0.05 -0.80 0.24 0.00 -1.81 0.00 0.00 61.98 59.57 2eed s VAL 74 Cb -0.07 -2.30 0.26 0.00 0.56 0.00 0.00 36.38 34.83 2eed s VAL 74 CO -0.02 0.39 1.74 0.50 -0.31 0.00 0.00 175.10 177.40 2eed h LYS 75 N 8.03 0.00 -5.55 4.82 1.63 -1.95 -2.50 116.57 121.05 2eed h LYS 75 Ca -0.40 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.77 2eed h LYS 75 Cb 1.14 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.65 2eed h LYS 75 CO 0.60 0.17 -0.51 -2.00 -3.45 0.00 0.00 179.45 174.26 2eed s GLU 76 N -3.43 2.13 0.46 1.90 2.12 -1.26 -4.78 118.70 115.84 2eed s GLU 76 Ca 0.03 -2.17 0.03 0.00 0.36 0.00 0.00 54.97 53.22 2eed s GLU 76 Cb 0.08 -1.71 -0.03 0.00 0.26 0.00 0.00 34.13 32.73 2eed s GLU 76 CO 0.64 -0.25 0.03 -0.98 -0.54 0.00 0.00 175.26 174.17 2eed s ARG 77 N -3.88 2.06 0.00 4.30 1.70 -1.26 -4.66 118.95 117.21 2eed s ARG 77 Ca 0.24 -2.27 0.00 0.00 -0.47 0.00 0.00 55.73 53.23 2eed s ARG 77 Cb 0.04 -1.32 0.00 0.00 -0.57 0.00 0.00 34.95 33.10 2eed s ARG 77 CO 0.13 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 2eed n GLY 78 N -1.10 0.32 3.67 3.88 0.00 -1.12 -4.97 105.19 105.87 2eed n GLY 78 Ca -0.13 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 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 -4.00 6.79 0.22 1.61 1.11 -1.26 -2.67 116.67 118.47 2eed s ASP 79 Ca 0.00 2.09 0.09 0.00 0.18 0.00 0.00 52.55 54.91 2eed s ASP 79 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 2eed s ASP 79 CO 0.00 -0.81 -0.06 -0.31 1.18 0.00 0.00 175.17 175.17 2eed s TYR 80 N 3.22 2.64 -0.21 4.23 1.51 0.12 -4.77 117.35 124.10 2eed s TYR 80 Ca 0.66 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 2eed s TYR 80 Cb -0.30 -1.23 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2eed s TYR 80 CO 0.25 0.57 -0.04 0.08 -1.11 0.00 0.00 175.55 175.31 2eed s VAL 81 N -2.01 1.22 -0.23 0.71 1.01 -1.26 -2.32 120.40 117.51 2eed s VAL 81 Ca 0.28 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 2eed s VAL 81 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2eed s VAL 81 CO 0.17 -0.06 0.35 -0.22 0.00 0.00 0.00 175.10 175.34 2eed s LEU 82 N 1.55 4.10 -0.31 3.92 2.96 -1.12 -3.60 118.68 126.19 2eed s LEU 82 Ca -0.03 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2eed s LEU 82 Cb -0.18 -2.42 0.05 0.00 0.50 0.00 0.00 46.19 44.15 2eed s LEU 82 CO -0.07 -0.10 0.01 0.00 -1.32 0.00 0.00 176.35 174.87 2eed s ALA 83 N 1.57 2.83 -0.13 5.97 0.00 -1.26 -1.66 121.76 129.08 2eed s ALA 83 Ca 0.16 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2eed s ALA 83 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2eed s ALA 83 CO 0.08 -1.31 -0.16 0.08 0.00 0.00 0.00 175.76 174.45 2eed s VAL 84 N 1.23 2.71 0.19 0.00 1.01 -1.26 -0.48 120.40 123.80 2eed s VAL 84 Ca -0.04 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2eed s VAL 84 Cb -0.20 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2eed s VAL 84 CO -0.02 0.53 -0.10 -0.54 0.00 0.00 0.00 175.10 174.97 2eed s LYS 85 N 0.45 2.01 -0.44 2.72 1.02 -1.17 -2.86 119.74 121.47 2eed s LYS 85 Ca -0.12 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.57 2eed s LYS 85 Cb -0.16 -2.11 0.15 0.00 -0.52 0.00 0.00 37.83 35.18 2eed s LYS 85 CO 0.05 0.42 0.28 -0.46 -0.92 0.00 0.00 175.35 174.72 2eed s TRP 86 N -1.79 1.71 -0.67 3.18 -0.11 -0.40 -3.31 118.94 117.55 2eed s TRP 86 Ca 0.25 -2.33 -0.05 0.00 1.22 0.00 0.00 56.10 55.19 2eed s TRP 86 Cb -0.08 -1.58 0.01 0.00 -1.50 0.00 0.00 33.47 30.31 2eed s TRP 86 CO 0.15 -0.78 0.67 0.41 -4.62 0.00 0.00 176.95 172.78 2eed n GLY 87 N 3.35 -1.21 3.51 5.86 0.00 -0.86 -3.49 105.19 112.36 2eed n GLY 87 Ca 0.15 0.68 -0.21 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.51 -7.36 -3.83 1.61 1.02 -1.26 -4.98 120.64 104.33 2eed n GLU 88 Ca -0.02 0.83 -0.09 0.00 -0.02 0.00 0.00 57.16 57.87 2eed n GLU 88 Cb 0.52 -5.86 0.01 0.00 -0.02 0.00 0.00 31.44 26.09 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 -5.89 2.14 -0.19 3.49 2.02 -1.23 -5.11 118.70 113.94 2eed s GLU 89 Ca 0.33 -1.38 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 2eed s GLU 89 Cb -0.14 0.61 0.05 0.00 0.10 0.00 0.00 34.13 34.75 2eed s GLU 89 CO 0.73 -0.99 -0.02 -1.01 0.02 0.00 0.00 175.26 173.98 2eed s HIS 90 N -2.63 1.58 0.50 1.61 3.76 -1.26 -1.27 115.29 117.58 2eed s HIS 90 Ca 0.15 -1.13 -0.19 0.00 -0.15 0.00 0.00 55.06 53.75 2eed s HIS 90 Cb -0.05 -1.25 -0.13 0.00 1.11 0.00 0.00 32.58 32.26 2eed s HIS 90 CO 0.11 -0.64 0.13 0.44 -0.85 0.00 0.00 174.74 173.93 2eed n ILE 91 N 4.90 0.81 -2.04 0.60 -5.35 -1.14 -4.75 119.36 112.40 2eed n ILE 91 Ca -0.11 -0.50 -0.32 0.00 -0.27 0.00 0.00 62.75 61.55 2eed n ILE 91 Cb 0.47 -0.22 -0.04 0.00 -1.74 0.00 0.00 39.64 38.10 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 -1.33 2.59 0.00 6.28 0.04 -1.26 -2.63 135.00 138.69 2eed s PRO 92 Ca 0.61 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2eed s PRO 92 Cb -0.51 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2eed s PRO 92 CO 0.62 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.98 2eed n GLY 93 N 6.34 0.47 3.93 0.56 0.00 -1.26 -5.03 105.19 110.20 2eed n GLY 93 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 6.38 0.24 1.61 0.15 -1.08 -3.44 113.70 117.57 2eed s SER 94 Ca 0.00 0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.68 2eed s SER 94 Cb 0.00 -1.98 -0.09 0.00 -1.71 0.00 0.00 66.02 62.24 2eed s SER 94 CO 0.00 0.05 1.28 -2.16 1.20 0.00 0.00 173.24 173.61 2eed s PRO 95 N -3.01 4.42 0.56 5.44 0.04 -1.26 -4.93 135.00 136.25 2eed s PRO 95 Ca 0.37 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 2eed s PRO 95 Cb -0.12 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2eed s PRO 95 CO 0.28 -0.17 0.94 -0.06 0.04 0.00 0.00 177.00 178.03 2eed s PHE 96 N -0.38 3.59 -0.44 0.56 0.40 -0.66 -4.88 117.98 116.16 2eed s PHE 96 Ca 0.53 1.14 -0.08 0.00 -0.60 0.00 0.00 56.93 57.92 2eed s PHE 96 Cb -0.37 -2.58 0.11 0.00 0.51 0.00 0.00 43.02 40.69 2eed s PHE 96 CO 0.42 -0.51 0.29 -1.58 0.70 0.00 0.00 175.22 174.55 2eed s HIS 97 N -2.96 3.43 -0.29 0.36 5.65 -1.26 -2.81 115.29 117.41 2eed s HIS 97 Ca 0.53 -1.88 -0.11 0.00 0.25 0.00 0.00 55.06 53.84 2eed s HIS 97 Cb -0.11 -3.30 -0.04 0.00 -1.18 0.00 0.00 32.58 27.95 2eed s HIS 97 CO 0.48 -0.95 0.19 0.08 -0.65 0.00 0.00 174.74 173.89 2eed s VAL 98 N 1.34 5.22 -0.18 0.89 1.01 -0.98 -4.79 120.40 122.90 2eed s VAL 98 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2eed s VAL 98 Cb -0.25 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2eed s VAL 98 CO -0.01 0.21 0.01 -0.89 0.00 0.00 0.00 175.10 174.42 2eed s THR 99 N 1.74 4.19 -0.17 3.92 2.01 -1.22 0.12 115.64 126.24 2eed s THR 99 Ca 0.07 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2eed s THR 99 Cb -0.16 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 2eed s THR 99 CO 0.10 0.46 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.71 2eed s VAL 100 N 0.62 3.25 -2.00 3.82 1.01 -1.09 -3.11 120.40 122.90 2eed s VAL 100 Ca 0.00 -0.57 0.16 0.00 0.00 0.00 0.00 61.98 61.57 2eed s VAL 100 Cb -0.14 -2.42 0.45 0.00 0.00 0.00 0.00 36.38 34.27 2eed s VAL 100 CO 0.02 0.48 1.35 -0.81 0.00 0.00 0.00 175.10 176.14