#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 4.53 0.54 1.61 0.15 -1.26 -5.10 113.70 114.16 2eed s SER 2 Ca 0.00 -2.54 -0.19 0.00 0.70 0.00 0.00 55.95 53.92 2eed s SER 2 Cb 0.00 -1.61 -0.06 0.00 -1.71 0.00 0.00 66.02 62.64 2eed s SER 2 CO 0.00 -0.31 1.12 -0.94 1.20 0.00 0.00 173.24 174.31 2eed s SER 3 N 0.37 5.77 0.20 5.45 1.04 -1.26 -5.05 113.70 120.23 2eed s SER 3 Ca 0.14 2.16 -0.22 0.00 0.48 0.00 0.00 55.95 58.50 2eed s SER 3 Cb -0.22 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.37 2eed s SER 3 CO -0.05 -1.18 0.64 -0.83 0.98 0.00 0.00 173.24 172.80 2eed s GLY 4 N -1.79 -0.42 -0.09 7.32 0.00 -1.26 -5.12 107.32 105.95 2eed s GLY 4 Ca 0.72 0.19 -0.34 0.00 0.00 0.00 0.00 44.72 45.29 2eed s GLY 4 CO 0.26 0.06 0.98 1.44 0.00 0.00 0.00 173.10 175.85 2eed n SER 5 N -0.41 0.22 -3.74 1.64 7.64 -1.26 -4.94 113.62 112.77 2eed n SER 5 Ca -0.12 0.96 -0.16 0.00 1.01 0.00 0.00 58.87 60.56 2eed n SER 5 Cb 0.63 -0.75 -0.16 0.00 -1.01 0.00 0.00 64.21 62.91 2eed n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eed s SER 6 N 0.57 0.31 0.00 6.43 0.15 -1.26 -5.06 113.70 114.84 2eed s SER 6 Ca 0.78 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2eed s SER 6 Cb -1.09 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2eed s SER 6 CO 0.52 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2eed n GLY 7 N 4.50 3.10 3.56 9.45 0.00 -1.26 -4.93 105.19 119.61 2eed n GLY 7 Ca -0.21 -0.05 -0.61 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 1.48 -4.49 1.61 2.88 -1.26 -3.95 113.62 109.89 2eed n SER 8 Ca 0.00 0.91 -0.43 0.00 -1.33 0.00 0.00 58.87 58.02 2eed n SER 8 Cb 0.00 -1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 2eed n SER 8 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eed s SER 9 N 4.57 6.26 -0.15 -3.46 1.04 -1.26 -4.31 113.70 116.39 2eed s SER 9 Ca 1.08 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 2eed s SER 9 Cb -1.31 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 62.35 2eed s SER 9 CO 0.69 -1.28 0.03 -0.62 0.98 0.00 0.00 173.24 173.03 2eed s ASP 10 N 3.15 5.37 0.22 7.02 2.15 -1.25 -4.99 116.67 128.35 2eed s ASP 10 Ca 0.26 0.07 0.11 0.00 0.43 0.00 0.00 52.55 53.42 2eed s ASP 10 Cb -0.15 -1.79 0.08 0.00 -0.30 0.00 0.00 42.92 40.75 2eed s ASP 10 CO 0.15 0.24 1.44 0.00 -0.17 0.00 0.00 175.17 176.83 2eed h ALA 11 N 6.17 0.63 -0.49 3.66 0.00 -1.93 -3.22 119.26 124.07 2eed h ALA 11 Ca -0.40 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 53.90 2eed h ALA 11 Cb 1.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2eed h ALA 11 CO 0.64 0.91 0.33 1.03 0.00 0.00 0.00 179.25 182.15 2eed h SER 12 N 0.00 0.40 1.56 0.00 0.87 -1.94 -0.23 113.55 114.21 2eed h SER 12 Ca -0.01 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 2eed h SER 12 Cb 1.44 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 2eed h SER 12 CO 0.09 0.27 -0.39 0.11 -0.53 0.00 0.00 176.83 176.39 2eed h LYS 13 N 0.46 0.00 -6.62 2.24 1.79 -1.87 -3.44 116.57 109.14 2eed h LYS 13 Ca 0.21 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.12 2eed h LYS 13 Cb 0.25 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.96 2eed h LYS 13 CO -0.05 0.39 0.83 0.28 -1.08 0.00 0.00 179.45 179.81 2eed n VAL 14 N -3.21 0.40 -4.34 0.50 0.31 -0.10 -4.58 118.33 107.31 2eed n VAL 14 Ca 0.02 -0.10 -0.28 0.00 -0.01 0.00 0.00 64.34 63.97 2eed n VAL 14 Cb 0.68 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.77 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 0.60 2.69 -0.09 2.52 -4.23 -0.36 -4.69 115.64 112.08 2eed s THR 15 Ca 0.73 -1.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 2eed s THR 15 Cb -0.59 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2eed s THR 15 CO 0.41 0.03 0.21 -0.94 -0.54 0.00 0.00 174.62 173.78 2eed s SER 16 N -2.33 -0.21 0.15 3.99 1.04 -1.26 0.04 113.70 115.11 2eed s SER 16 Ca 0.19 0.44 0.07 0.00 0.48 0.00 0.00 55.95 57.13 2eed s SER 16 Cb -0.10 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2eed s SER 16 CO 0.10 -0.13 -0.15 -1.59 0.98 0.00 0.00 173.24 172.45 2eed s LYS 17 N 0.87 1.16 0.00 4.02 0.00 -0.71 -4.99 119.74 120.09 2eed s LYS 17 Ca -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 55.97 54.53 2eed s LYS 17 Cb -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 37.83 36.71 2eed s LYS 17 CO -0.05 0.19 0.00 0.41 0.00 0.00 0.00 175.35 175.90 2eed n GLY 18 N 0.22 4.26 0.27 0.59 0.00 -1.26 -1.94 105.19 107.34 2eed n GLY 18 Ca -0.13 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 1.02 -1.45 4.61 0.00 -1.88 -0.37 119.26 121.19 2eed h ALA 19 Ca 0.00 0.13 0.47 0.00 0.00 0.00 0.00 54.91 55.51 2eed h ALA 19 Cb 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.81 2eed h ALA 19 CO 0.00 -0.26 0.96 0.78 0.00 0.00 0.00 179.25 180.73 2eed h GLY 20 N 0.37 1.05 1.40 0.00 0.00 -1.70 1.50 103.07 105.69 2eed h GLY 20 Ca 0.41 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 2eed h GLY 20 CO -0.44 -0.34 -0.53 1.41 0.00 0.00 0.00 176.54 176.65 2eed h LEU 21 N 0.05 0.70 0.00 3.11 3.38 -1.36 -3.35 115.31 117.83 2eed h LEU 21 Ca 0.85 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.44 2eed h LEU 21 Cb 2.85 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 43.40 2eed h LEU 21 CO -0.35 1.09 -0.22 -1.28 0.09 0.00 0.00 178.44 177.77 2eed h SER 22 N 0.49 0.00 -5.43 -0.43 0.87 0.18 -3.43 113.55 105.80 2eed h SER 22 Ca 0.02 -0.26 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 2eed h SER 22 Cb 1.08 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.91 2eed h SER 22 CO 0.10 0.75 -0.46 -1.59 -0.53 0.00 0.00 176.83 175.10 2eed s LYS 23 N -1.91 1.22 0.05 2.24 -2.85 0.15 -3.91 119.74 114.73 2eed s LYS 23 Ca -0.10 -1.43 -0.02 0.00 -1.00 0.00 0.00 55.97 53.42 2eed s LYS 23 Cb 0.00 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2eed s LYS 23 CO 0.24 -0.43 0.00 0.00 0.10 0.00 0.00 175.35 175.27 2eed s ALA 24 N -4.08 0.32 -0.03 0.59 0.00 -1.24 -3.07 121.76 114.26 2eed s ALA 24 Ca 0.29 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2eed s ALA 24 Cb 0.05 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 2eed s ALA 24 CO 0.07 -0.35 -0.21 -0.06 0.00 0.00 0.00 175.76 175.22 2eed s PHE 25 N -3.40 1.94 0.34 0.00 0.40 -1.26 -4.08 117.98 111.92 2eed s PHE 25 Ca 0.02 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 2eed s PHE 25 Cb 0.04 -1.26 -0.12 0.00 0.51 0.00 0.00 43.02 42.19 2eed s PHE 25 CO -0.08 -0.08 1.50 0.28 0.70 0.00 0.00 175.22 177.54 2eed n VAL 26 N 2.70 1.60 0.00 -0.44 0.31 -1.26 -2.66 118.33 118.58 2eed n VAL 26 Ca -0.16 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2eed n VAL 26 Cb 0.53 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 1.19 1.14 3.10 2.92 0.00 -0.75 -4.93 105.19 107.86 2eed n GLY 27 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 -4.03 1.61 1.13 -1.09 -4.86 117.38 107.61 2eed n GLN 28 Ca 0.00 -0.74 -0.32 0.00 -1.94 0.00 0.00 57.00 54.00 2eed n GLN 28 Cb 0.00 -1.59 -0.15 0.00 0.11 0.00 0.00 30.24 28.61 2eed n GLN 28 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2eed s LYS 29 N -3.71 2.03 -0.20 -1.09 2.20 -1.26 -4.49 119.74 113.22 2eed s LYS 29 Ca 0.45 -1.30 -0.16 0.00 -0.36 0.00 0.00 55.97 54.61 2eed s LYS 29 Cb -0.08 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2eed s LYS 29 CO 0.44 -0.61 0.38 -1.12 -0.36 0.00 0.00 175.35 174.09 2eed s SER 30 N 1.16 6.43 0.10 1.43 0.01 -1.12 -4.97 113.70 116.74 2eed s SER 30 Ca -0.07 0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.78 2eed s SER 30 Cb -0.20 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 2eed s SER 30 CO -0.06 -0.05 -0.20 -0.94 0.41 0.00 0.00 173.24 172.40 2eed s SER 31 N 0.99 2.38 -0.18 2.44 1.04 -1.26 -1.62 113.70 117.50 2eed s SER 31 Ca 0.19 -0.67 -0.17 0.00 0.48 0.00 0.00 55.95 55.78 2eed s SER 31 Cb -0.15 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 65.90 2eed s SER 31 CO 0.08 0.04 0.47 0.72 0.98 0.00 0.00 173.24 175.53 2eed s PHE 32 N -1.18 -0.52 0.14 5.02 -0.71 0.13 -4.15 117.98 116.71 2eed s PHE 32 Ca 0.05 1.27 0.04 0.00 -1.04 0.00 0.00 56.93 57.25 2eed s PHE 32 Cb -0.10 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 2eed s PHE 32 CO 0.04 -0.25 0.11 -1.17 -1.34 0.00 0.00 175.22 172.61 2eed s LEU 33 N 0.24 3.79 -0.22 -1.99 2.96 -0.82 -1.32 118.68 121.32 2eed s LEU 33 Ca -0.00 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2eed s LEU 33 Cb -0.03 -2.42 0.06 0.00 0.50 0.00 0.00 46.19 44.29 2eed s LEU 33 CO 0.01 0.10 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 2eed s VAL 34 N -1.63 1.38 -0.17 1.68 1.01 -0.54 -1.73 120.40 120.39 2eed s VAL 34 Ca 0.30 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2eed s VAL 34 Cb -0.11 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2eed s VAL 34 CO 0.23 -0.06 0.62 -1.81 0.00 0.00 0.00 175.10 174.08 2eed s ASP 35 N 1.48 6.73 -0.04 3.32 1.01 0.11 -2.42 116.67 126.85 2eed s ASP 35 Ca -0.04 0.88 0.08 0.00 0.71 0.00 0.00 52.55 54.18 2eed s ASP 35 Cb -0.18 -2.35 0.20 0.00 1.01 0.00 0.00 42.92 41.61 2eed s ASP 35 CO -0.07 -0.21 1.15 0.00 0.21 0.00 0.00 175.17 176.25 2eed h SER 37 N 0.82 0.00 0.20 0.00 4.64 -1.87 0.20 113.55 117.54 2eed h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2eed h SER 37 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2eed h SER 37 CO 0.03 0.00 -0.53 0.29 -0.87 0.00 0.00 176.83 175.74 2eed n LYS 38 N -3.99 0.51 -0.01 4.77 5.02 -1.26 -4.49 118.16 118.70 2eed n LYS 38 Ca -0.00 -0.36 -0.00 0.00 -2.02 0.00 0.00 58.31 55.92 2eed n LYS 38 Cb 0.21 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eed h ALA 39 N 3.39 0.00 0.00 7.82 0.00 -0.86 -3.45 119.26 126.16 2eed h ALA 39 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2eed h ALA 39 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2eed h ALA 39 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2eed n GLY 40 N 1.85 -1.20 3.15 0.00 0.00 -0.99 -3.76 105.19 104.25 2eed n GLY 40 Ca -0.01 0.41 0.05 0.00 0.00 0.00 0.00 46.02 46.48 2eed n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eed s SER 41 N -4.00 -0.56 0.28 1.61 0.01 -1.25 -4.91 113.70 104.88 2eed s SER 41 Ca 0.00 0.33 -0.19 0.00 1.31 0.00 0.00 55.95 57.40 2eed s SER 41 Cb 0.00 1.46 0.06 0.00 0.21 0.00 0.00 66.02 67.75 2eed s SER 41 CO 0.00 -0.10 0.91 0.21 0.41 0.00 0.00 173.24 174.66 2eed s ASN 42 N 2.94 -0.01 -0.00 2.44 3.84 -1.26 -4.69 114.94 118.20 2eed s ASN 42 Ca 0.03 -0.89 -0.05 0.00 0.21 0.00 0.00 52.86 52.16 2eed s ASN 42 Cb -0.10 0.68 -0.04 0.00 -0.55 0.00 0.00 41.25 41.23 2eed s ASN 42 CO -0.13 -1.34 0.23 0.00 -2.79 0.00 0.00 177.10 173.07 2eed s MET 43 N -2.35 3.52 -0.24 0.43 0.23 -1.26 -4.97 119.30 114.65 2eed s MET 43 Ca 0.18 -0.18 -0.06 0.00 -1.03 0.00 0.00 55.69 54.60 2eed s MET 43 Cb -0.04 -3.09 -0.02 0.00 -1.53 0.00 0.00 34.83 30.15 2eed s MET 43 CO 0.08 0.66 0.04 -1.17 -2.03 0.00 0.00 175.02 172.60 2eed s LEU 44 N -1.81 3.29 0.31 0.18 2.96 -1.26 -2.68 118.68 119.66 2eed s LEU 44 Ca 0.27 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 2eed s LEU 44 Cb -0.13 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 2eed s LEU 44 CO 0.17 -0.04 -0.09 -1.48 -1.32 0.00 0.00 176.35 173.59 2eed s LEU 45 N 1.57 2.62 0.08 -0.68 -0.00 -1.22 -5.07 118.68 115.97 2eed s LEU 45 Ca 0.06 -1.18 0.06 0.00 -0.00 0.00 0.00 54.13 53.07 2eed s LEU 45 Cb -0.15 -0.85 -0.03 0.00 -0.00 0.00 0.00 46.19 45.16 2eed s LEU 45 CO 0.01 -0.25 -0.16 -0.63 -0.00 0.00 0.00 176.35 175.33 2eed s ILE 46 N -2.77 1.24 -0.41 1.48 -1.09 -1.26 -2.91 121.20 115.48 2eed s ILE 46 Ca 0.31 -1.35 0.09 0.00 -2.23 0.00 0.00 60.65 57.47 2eed s ILE 46 Cb 0.03 -1.18 0.43 0.00 -1.58 0.00 0.00 42.46 40.16 2eed s ILE 46 CO 0.14 -0.18 1.05 0.61 -1.23 0.00 0.00 174.94 175.33 2eed n GLY 47 N 1.25 4.57 3.52 6.18 0.00 -0.79 -5.01 105.19 114.91 2eed n GLY 47 Ca -0.21 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.19 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 -0.33 -0.02 -2.67 1.61 0.24 -1.26 -4.54 118.33 111.37 2eed n VAL 48 Ca 0.29 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 2eed n VAL 48 Cb 0.70 -0.93 -0.06 0.00 -1.47 0.00 0.00 33.84 32.08 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 7.79 3.37 -0.67 6.34 2.46 -1.26 -4.95 115.29 128.37 2eed s HIS 49 Ca 1.24 1.53 0.04 0.00 0.47 0.00 0.00 55.06 58.34 2eed s HIS 49 Cb -0.84 -2.81 0.31 0.00 -0.13 0.00 0.00 32.58 29.12 2eed s HIS 49 CO 0.43 -0.20 1.02 0.41 -2.47 0.00 0.00 174.74 173.92 2eed n GLY 50 N -1.01 5.44 0.25 1.59 0.00 -1.26 -4.79 105.19 105.41 2eed n GLY 50 Ca 0.07 -2.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.19 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 3.55 0.88 0.00 1.61 0.13 -1.96 -3.41 132.00 132.81 2eed h PRO 51 Ca 0.20 -0.47 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 2eed h PRO 51 Cb 0.53 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2eed h PRO 51 CO 0.89 1.11 -1.37 -2.37 -0.23 0.00 0.00 178.00 176.04 2eed n THR 52 N -4.11 0.69 -3.72 1.56 5.66 -1.26 -5.06 114.28 108.03 2eed n THR 52 Ca -0.03 -0.07 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 2eed n THR 52 Cb 0.53 -1.68 -0.12 0.00 -1.55 0.00 0.00 70.33 67.52 2eed n THR 52 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2eed s THR 53 N -2.21 -0.03 0.92 1.09 2.01 -1.26 -5.16 115.64 111.00 2eed s THR 53 Ca -0.14 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 2eed s THR 53 Cb 0.05 -0.49 0.14 0.00 0.01 0.00 0.00 72.50 72.21 2eed s THR 53 CO 0.17 0.04 1.09 -2.16 -0.69 0.00 0.00 174.62 173.08 2eed s PRO 54 N 1.10 1.04 0.14 4.92 0.04 -1.26 -4.76 135.00 136.22 2eed s PRO 54 Ca -0.08 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.73 2eed s PRO 54 Cb -0.08 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2eed s PRO 54 CO -0.09 -2.37 0.26 0.00 0.04 0.00 0.00 177.00 174.84 2eed h GLU 56 N 2.28 0.58 -2.04 0.00 4.22 -0.91 -3.48 114.58 115.22 2eed h GLU 56 Ca -0.48 -0.08 0.26 0.00 0.08 0.00 0.00 59.36 59.14 2eed h GLU 56 Cb 1.19 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 2eed h GLU 56 CO 0.69 0.50 0.73 -1.83 -2.18 0.00 0.00 179.01 176.92 2eed s GLU 57 N -5.72 0.76 -0.23 1.92 -1.05 -1.26 -4.99 118.70 108.13 2eed s GLU 57 Ca -0.13 -0.46 -0.04 0.00 -0.15 0.00 0.00 54.97 54.19 2eed s GLU 57 Cb 0.10 0.23 0.08 0.00 -0.44 0.00 0.00 34.13 34.11 2eed s GLU 57 CO 0.74 -0.35 0.12 0.08 0.95 0.00 0.00 175.26 176.80 2eed s VAL 58 N -2.40 -0.11 -0.44 1.83 1.01 -1.26 -3.72 120.40 115.31 2eed s VAL 58 Ca 0.20 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2eed s VAL 58 Cb 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.64 2eed s VAL 58 CO 0.00 -0.49 0.45 -0.55 0.00 0.00 0.00 175.10 174.52 2eed s SER 59 N 2.14 6.19 -0.19 3.32 0.15 -0.08 -4.95 113.70 120.27 2eed s SER 59 Ca 0.06 -0.78 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 2eed s SER 59 Cb -0.16 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2eed s SER 59 CO -0.23 -0.62 -0.12 -0.04 1.20 0.00 0.00 173.24 173.43 2eed s MET 60 N 2.13 3.21 0.04 5.44 -1.94 -1.26 -1.41 119.30 125.52 2eed s MET 60 Ca 0.11 -0.72 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 2eed s MET 60 Cb -0.18 -2.77 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2eed s MET 60 CO 0.13 -0.15 -0.11 0.15 -0.01 0.00 0.00 175.02 175.03 2eed s LYS 61 N 1.25 0.72 -1.17 2.03 -0.14 0.14 -4.99 119.74 117.57 2eed s LYS 61 Ca 0.03 -0.71 -0.09 0.00 -1.36 0.00 0.00 55.97 53.84 2eed s LYS 61 Cb -0.14 -0.65 0.24 0.00 -1.68 0.00 0.00 37.83 35.60 2eed s LYS 61 CO -0.06 0.15 1.44 1.58 -0.76 0.00 0.00 175.35 177.70 2eed n HIS 62 N 1.81 4.06 -0.52 3.18 -0.00 -1.26 -0.06 115.22 122.44 2eed n HIS 62 Ca -0.19 -3.24 0.42 0.00 -0.00 0.00 0.00 57.72 54.71 2eed n HIS 62 Cb 0.55 -1.78 0.71 0.00 -0.00 0.00 0.00 29.99 29.46 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 3.88 0.06 0.00 3.57 -1.51 -1.92 -3.47 116.25 116.86 2eed h VAL 63 Ca 0.26 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 2eed h VAL 63 Cb 0.76 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 2eed h VAL 63 CO 1.27 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 178.23 2eed n GLY 64 N -1.62 0.15 2.48 5.19 0.00 -1.20 -4.98 105.19 105.21 2eed n GLY 64 Ca 0.40 -2.29 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.10 -1.07 1.61 4.13 -1.26 0.36 115.26 114.94 2eed n ASN 65 Ca 0.00 0.15 -0.10 0.00 1.68 0.00 0.00 54.58 56.31 2eed n ASN 65 Cb 0.00 -3.47 -0.01 0.00 -1.54 0.00 0.00 39.78 34.76 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 -2.88 -0.77 -4.68 3.52 1.13 -1.26 -4.80 117.38 107.65 2eed n GLN 66 Ca -0.15 0.53 -0.31 0.00 -1.94 0.00 0.00 57.00 55.12 2eed n GLN 66 Cb 0.62 -4.56 -0.12 0.00 0.11 0.00 0.00 30.24 26.29 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 -4.26 2.28 -0.18 -1.09 -0.21 0.16 -1.99 119.66 114.37 2eed s GLN 67 Ca 0.00 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 54.52 2eed s GLN 67 Cb 0.00 -2.30 0.04 0.00 1.00 0.00 0.00 33.01 31.75 2eed s GLN 67 CO 0.00 0.57 -0.06 0.71 -2.12 0.00 0.00 175.29 174.39 2eed s TYR 68 N -0.89 1.88 -0.11 0.91 2.02 -1.01 -3.12 117.35 117.02 2eed s TYR 68 Ca 0.14 -1.23 -0.21 0.00 -0.37 0.00 0.00 57.07 55.40 2eed s TYR 68 Cb -0.11 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2eed s TYR 68 CO 0.05 -0.65 0.60 1.21 -1.57 0.00 0.00 175.55 175.18 2eed s ASN 69 N 1.57 6.82 -0.07 2.29 3.04 0.92 -1.47 114.94 128.04 2eed s ASN 69 Ca -0.00 0.98 -0.01 0.00 0.04 0.00 0.00 52.86 53.87 2eed s ASN 69 Cb -0.16 -2.35 0.03 0.00 -1.54 0.00 0.00 41.25 37.23 2eed s ASN 69 CO -0.08 -0.10 -0.02 -0.69 -3.04 0.00 0.00 177.10 173.18 2eed s VAL 70 N 0.91 0.47 0.02 -5.21 1.01 -0.44 -0.69 120.40 116.48 2eed s VAL 70 Ca 0.32 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2eed s VAL 70 Cb -0.16 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2eed s VAL 70 CO 0.14 0.26 -0.14 -0.89 0.00 0.00 0.00 175.10 174.46 2eed s THR 71 N 1.70 1.13 0.27 3.92 2.01 -0.50 -0.69 115.64 123.48 2eed s THR 71 Ca 0.01 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.18 2eed s THR 71 Cb -0.13 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2eed s THR 71 CO -0.04 0.11 0.22 -0.72 -0.69 0.00 0.00 174.62 173.50 2eed s TYR 72 N -0.67 1.50 -0.10 4.92 -0.85 -0.64 -0.91 117.35 120.60 2eed s TYR 72 Ca 0.03 -1.54 -0.03 0.00 -0.52 0.00 0.00 57.07 55.00 2eed s TYR 72 Cb -0.07 -0.65 0.05 0.00 0.38 0.00 0.00 41.96 41.67 2eed s TYR 72 CO 0.01 -0.77 0.12 0.08 -1.52 0.00 0.00 175.55 173.46 2eed s VAL 73 N -3.75 -0.18 -0.36 -3.49 1.01 -1.24 -2.78 120.40 109.59 2eed s VAL 73 Ca 0.40 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 2eed s VAL 73 Cb 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 2eed s VAL 73 CO 0.21 0.03 0.38 0.68 0.00 0.00 0.00 175.10 176.39 2eed s VAL 74 N 2.22 5.15 -0.91 2.92 -7.23 -1.26 -0.12 120.40 121.18 2eed s VAL 74 Ca 0.04 -0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2eed s VAL 74 Cb -0.13 -3.87 0.15 0.00 0.56 0.00 0.00 36.38 33.08 2eed s VAL 74 CO -0.06 -0.17 0.74 0.29 -0.31 0.00 0.00 175.10 175.58 2eed n LYS 75 N 5.42 1.69 -3.83 4.82 4.76 -1.26 -1.80 118.16 127.97 2eed n LYS 75 Ca -0.09 -0.57 -0.08 0.00 -2.87 0.00 0.00 58.31 54.71 2eed n LYS 75 Cb 0.49 -1.62 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 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 -1.34 1.71 0.54 1.97 2.12 -1.26 -4.89 118.70 117.55 2eed s GLU 76 Ca 0.10 -0.96 0.04 0.00 0.36 0.00 0.00 54.97 54.51 2eed s GLU 76 Cb 0.07 0.60 0.04 0.00 0.26 0.00 0.00 34.13 35.10 2eed s GLU 76 CO 0.03 -0.78 0.30 2.89 -0.54 0.00 0.00 175.26 177.16 2eed n ARG 77 N -0.44 0.70 0.00 4.30 1.85 -1.26 -4.61 116.66 117.19 2eed n ARG 77 Ca -0.05 -3.51 0.00 0.00 -1.00 0.00 0.00 57.85 53.28 2eed n ARG 77 Cb 0.60 0.54 0.00 0.00 -1.05 0.00 0.00 32.46 32.54 2eed n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eed n GLY 78 N -1.49 0.53 3.35 2.89 0.00 -1.26 -4.96 105.19 104.25 2eed n GLY 78 Ca -0.07 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.36 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 6.18 0.51 1.61 1.47 -1.26 -2.56 116.67 118.63 2eed s ASP 79 Ca 0.00 -1.56 -0.04 0.00 1.18 0.00 0.00 52.55 52.13 2eed s ASP 79 Cb 0.00 -2.23 -0.01 0.00 -0.34 0.00 0.00 42.92 40.34 2eed s ASP 79 CO 0.00 -0.87 0.81 -0.31 0.68 0.00 0.00 175.17 175.48 2eed s TYR 80 N 1.89 3.39 -0.29 2.11 1.51 -0.58 -4.84 117.35 120.55 2eed s TYR 80 Ca 0.06 0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 56.76 2eed s TYR 80 Cb -0.27 -2.46 0.09 0.00 -0.11 0.00 0.00 41.96 39.21 2eed s TYR 80 CO 0.05 -0.49 0.07 0.08 -1.11 0.00 0.00 175.55 174.16 2eed s VAL 81 N -2.80 0.92 -0.27 0.71 1.01 -1.26 -2.99 120.40 115.72 2eed s VAL 81 Ca 0.50 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 2eed s VAL 81 Cb -0.10 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2eed s VAL 81 CO 0.44 -0.56 0.70 -0.22 0.00 0.00 0.00 175.10 175.46 2eed s LEU 82 N 1.61 4.08 -0.29 3.92 2.96 -1.02 -4.20 118.68 125.75 2eed s LEU 82 Ca 0.07 0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 54.65 2eed s LEU 82 Cb -0.17 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.56 2eed s LEU 82 CO -0.21 -0.46 0.06 0.00 -1.32 0.00 0.00 176.35 174.43 2eed s ALA 83 N 2.67 3.03 -0.18 5.97 0.00 -1.26 -1.72 121.76 130.27 2eed s ALA 83 Ca 0.29 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2eed s ALA 83 Cb -0.15 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.90 2eed s ALA 83 CO 0.09 -0.89 -0.19 0.08 0.00 0.00 0.00 175.76 174.86 2eed s VAL 84 N 1.49 2.05 0.15 0.00 1.01 -1.26 -1.88 120.40 121.95 2eed s VAL 84 Ca 0.03 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2eed s VAL 84 Cb -0.17 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2eed s VAL 84 CO 0.02 0.50 0.02 -0.54 0.00 0.00 0.00 175.10 175.09 2eed s LYS 85 N 1.29 2.51 -0.36 2.72 1.02 -1.15 -2.65 119.74 123.12 2eed s LYS 85 Ca 0.04 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2eed s LYS 85 Cb -0.13 -2.45 0.12 0.00 -0.52 0.00 0.00 37.83 34.84 2eed s LYS 85 CO -0.12 0.48 0.16 -0.46 -0.92 0.00 0.00 175.35 174.49 2eed s TRP 86 N -1.60 1.74 -0.80 3.18 -0.11 -0.42 -3.41 118.94 117.53 2eed s TRP 86 Ca 0.27 -1.98 -0.01 0.00 1.22 0.00 0.00 56.10 55.60 2eed s TRP 86 Cb -0.10 -1.72 -0.00 0.00 -1.50 0.00 0.00 33.47 30.15 2eed s TRP 86 CO 0.19 -0.84 0.67 0.41 -4.62 0.00 0.00 176.95 172.75 2eed n GLY 87 N 4.32 -1.26 3.39 5.86 0.00 -1.09 -3.12 105.19 113.29 2eed n GLY 87 Ca 0.03 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.26 -6.59 -3.83 1.61 1.02 -1.26 -4.99 120.64 104.33 2eed n GLU 88 Ca -0.14 0.83 -0.07 0.00 -0.02 0.00 0.00 57.16 57.76 2eed n GLU 88 Cb 0.59 -5.80 0.02 0.00 -0.02 0.00 0.00 31.44 26.23 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 -5.41 1.92 -0.21 3.49 2.02 -1.18 -5.11 118.70 114.22 2eed s GLU 89 Ca 0.05 -1.23 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 2eed s GLU 89 Cb -0.02 0.54 0.06 0.00 0.10 0.00 0.00 34.13 34.81 2eed s GLU 89 CO 0.71 -0.90 -0.02 -1.01 0.02 0.00 0.00 175.26 174.06 2eed s HIS 90 N -2.31 1.80 0.60 1.61 3.76 -1.26 -1.30 115.29 118.18 2eed s HIS 90 Ca 0.17 -1.34 -0.18 0.00 -0.15 0.00 0.00 55.06 53.57 2eed s HIS 90 Cb -0.04 -1.34 -0.10 0.00 1.11 0.00 0.00 32.58 32.21 2eed s HIS 90 CO 0.09 -0.69 0.24 0.44 -0.85 0.00 0.00 174.74 173.97 2eed n ILE 91 N 4.84 1.31 -2.05 0.60 -5.35 -1.09 -4.76 119.36 112.86 2eed n ILE 91 Ca -0.11 -0.48 -0.30 0.00 -0.27 0.00 0.00 62.75 61.59 2eed n ILE 91 Cb 0.46 -0.43 -0.04 0.00 -1.74 0.00 0.00 39.64 37.88 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 -1.84 2.58 0.00 6.28 0.04 -1.26 -2.74 135.00 138.06 2eed s PRO 92 Ca 0.63 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2eed s PRO 92 Cb -0.43 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.26 2eed s PRO 92 CO 0.60 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.88 2eed n GLY 93 N 6.48 0.35 3.92 0.56 0.00 -1.26 -5.06 105.19 110.19 2eed n GLY 93 Ca 0.34 0.00 -0.28 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 6.39 0.22 1.61 0.15 -1.11 -3.41 113.70 117.55 2eed s SER 94 Ca 0.00 0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.70 2eed s SER 94 Cb 0.00 -1.99 -0.09 0.00 -1.71 0.00 0.00 66.02 62.23 2eed s SER 94 CO 0.00 0.04 1.29 -2.16 1.20 0.00 0.00 173.24 173.61 2eed s PRO 95 N -3.03 4.41 0.08 5.44 0.04 -1.26 -4.94 135.00 135.73 2eed s PRO 95 Ca 0.37 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 2eed s PRO 95 Cb -0.12 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 2eed s PRO 95 CO 0.28 -0.21 0.86 -0.06 0.04 0.00 0.00 177.00 177.91 2eed s PHE 96 N -0.15 3.78 -0.59 0.56 0.40 -0.70 -4.90 117.98 116.38 2eed s PHE 96 Ca 0.55 1.63 -0.20 0.00 -0.60 0.00 0.00 56.93 58.31 2eed s PHE 96 Cb -0.36 -2.93 0.09 0.00 0.51 0.00 0.00 43.02 40.33 2eed s PHE 96 CO 0.40 0.26 0.74 -1.58 0.70 0.00 0.00 175.22 175.74 2eed s HIS 97 N -0.09 2.95 -0.24 0.36 5.65 -1.26 -2.43 115.29 120.22 2eed s HIS 97 Ca 0.42 -0.79 -0.13 0.00 0.25 0.00 0.00 55.06 54.81 2eed s HIS 97 Cb -0.22 -3.98 -0.04 0.00 -1.18 0.00 0.00 32.58 27.16 2eed s HIS 97 CO 0.26 -1.31 0.28 0.08 -0.65 0.00 0.00 174.74 173.40 2eed s VAL 98 N 2.94 5.27 -0.21 0.89 1.01 -1.16 -4.80 120.40 124.34 2eed s VAL 98 Ca 0.14 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 2eed s VAL 98 Cb -0.22 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2eed s VAL 98 CO 0.08 0.27 0.01 -0.89 0.00 0.00 0.00 175.10 174.57 2eed s THR 99 N 1.44 4.04 -0.17 3.92 2.01 -1.25 -1.53 115.64 124.10 2eed s THR 99 Ca 0.12 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 2eed s THR 99 Cb -0.15 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 2eed s THR 99 CO 0.07 0.41 0.13 -0.69 -0.69 0.00 0.00 174.62 173.85 2eed s VAL 100 N 1.11 5.39 -2.00 3.82 1.01 -1.06 -3.60 120.40 125.07 2eed s VAL 100 Ca 0.03 0.18 0.16 0.00 0.00 0.00 0.00 61.98 62.34 2eed s VAL 100 Cb -0.14 -3.42 0.45 0.00 0.00 0.00 0.00 36.38 33.27 2eed s VAL 100 CO 0.02 0.51 1.35 -0.81 0.00 0.00 0.00 175.10 176.16