#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 -0.22 0.04 1.61 0.02 -2.07 -0.54 113.55 112.39 2eed h SER 2 Ca 0.00 0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2eed h SER 2 Cb 0.00 0.39 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2eed h SER 2 CO 0.00 -0.32 -0.43 0.28 -1.14 0.00 0.00 176.83 175.22 2eed h SER 3 N 0.06 0.14 0.00 3.07 0.02 -2.10 -3.49 113.55 111.25 2eed h SER 3 Ca 0.63 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2eed h SER 3 Cb 1.38 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2eed h SER 3 CO -0.83 1.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 2eed n GLY 4 N 1.62 -1.97 3.48 -3.77 0.00 -0.21 -5.17 105.19 99.16 2eed n GLY 4 Ca -0.14 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.16 -0.45 0.01 1.61 1.04 -1.26 -4.25 113.70 110.25 2eed s SER 5 Ca 0.00 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 2eed s SER 5 Cb 0.00 0.46 -0.20 0.00 0.10 0.00 0.00 66.02 66.39 2eed s SER 5 CO 0.00 -0.74 1.18 0.28 0.98 0.00 0.00 173.24 174.94 2eed h SER 6 N 2.04 0.44 -3.18 7.02 0.02 -2.02 -3.44 113.55 114.43 2eed h SER 6 Ca -0.26 -0.66 -0.62 0.00 -0.84 0.00 0.00 61.79 59.41 2eed h SER 6 Cb 1.26 -0.13 -0.35 0.00 0.14 0.00 0.00 62.40 63.32 2eed h SER 6 CO 0.34 1.03 -0.84 -0.83 -1.14 0.00 0.00 176.83 175.39 2eed s GLY 7 N -3.83 1.16 0.01 -3.77 0.00 -1.26 -5.13 107.32 94.50 2eed s GLY 7 Ca -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.69 2eed s GLY 7 CO 0.79 0.29 0.04 -0.45 0.00 0.00 0.00 173.10 173.77 2eed s SER 8 N 1.16 5.39 -0.32 1.64 0.15 -1.26 -4.96 113.70 115.49 2eed s SER 8 Ca -0.02 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 2eed s SER 8 Cb -0.14 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2eed s SER 8 CO -0.06 0.27 0.16 -0.44 1.20 0.00 0.00 173.24 174.36 2eed s SER 9 N -1.72 5.55 0.08 5.45 0.01 -1.26 -4.56 113.70 117.25 2eed s SER 9 Ca 0.22 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.91 2eed s SER 9 Cb -0.12 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2eed s SER 9 CO 0.13 -0.23 -0.07 -1.81 0.41 0.00 0.00 173.24 171.67 2eed s ASP 10 N 1.59 4.59 -0.17 2.44 1.01 -0.40 -4.99 116.67 120.74 2eed s ASP 10 Ca 0.04 -0.29 -0.03 0.00 0.71 0.00 0.00 52.55 52.98 2eed s ASP 10 Cb -0.17 -0.97 -0.23 0.00 1.01 0.00 0.00 42.92 42.56 2eed s ASP 10 CO 0.06 0.20 0.14 0.00 0.21 0.00 0.00 175.17 175.78 2eed n ALA 11 N 0.84 1.09 0.06 5.23 0.00 -1.26 -4.15 120.51 122.32 2eed n ALA 11 Ca -0.13 -0.78 0.21 0.00 0.00 0.00 0.00 53.44 52.73 2eed n ALA 11 Cb 0.52 -0.46 0.66 0.00 0.00 0.00 0.00 19.45 20.17 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 0.52 0.00 0.02 -1.94 0.54 113.55 112.74 2eed h SER 12 Ca -0.48 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.17 2eed h SER 12 Cb 1.99 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.54 2eed h SER 12 CO 0.02 0.00 -1.34 0.11 -1.14 0.00 0.00 176.83 174.48 2eed h LYS 13 N 0.00 0.33 -6.63 3.45 1.79 -1.89 -3.45 116.57 110.17 2eed h LYS 13 Ca 0.23 -0.56 -0.52 0.00 -2.18 0.00 0.00 60.65 57.62 2eed h LYS 13 Cb 1.48 0.21 0.05 0.00 -1.58 0.00 0.00 32.23 32.39 2eed h LYS 13 CO -0.00 1.26 0.94 0.08 -1.08 0.00 0.00 179.45 180.64 2eed s VAL 14 N -2.64 2.34 0.25 0.50 1.01 0.19 -4.81 120.40 117.25 2eed s VAL 14 Ca -0.06 0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.28 2eed s VAL 14 Cb 0.06 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2eed s VAL 14 CO 0.89 0.02 -0.20 0.42 0.00 0.00 0.00 175.10 176.24 2eed s THR 15 N 1.13 2.33 0.01 3.92 -4.23 -1.11 -4.48 115.64 113.21 2eed s THR 15 Ca 0.72 -2.30 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 2eed s THR 15 Cb -0.47 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 2eed s THR 15 CO 0.32 -0.38 -0.08 -0.94 -0.54 0.00 0.00 174.62 173.00 2eed s SER 16 N -3.32 0.95 0.05 3.99 1.04 -1.26 -1.54 113.70 113.61 2eed s SER 16 Ca 0.27 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.49 2eed s SER 16 Cb -0.05 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2eed s SER 16 CO 0.13 0.03 -0.11 -1.59 0.98 0.00 0.00 173.24 172.68 2eed s LYS 17 N -0.53 0.69 0.00 4.02 -2.85 0.71 -4.97 119.74 116.81 2eed s LYS 17 Ca 0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2eed s LYS 17 Cb -0.05 -0.59 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 2eed s LYS 17 CO 0.00 0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.99 2eed n GLY 18 N 1.59 0.81 0.12 0.59 0.00 -1.26 -0.21 105.19 106.83 2eed n GLY 18 Ca -0.21 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.94 0.83 -0.49 4.61 0.00 -1.23 -4.18 120.51 119.11 2eed n ALA 19 Ca 0.00 -0.54 0.40 0.00 0.00 0.00 0.00 53.44 53.30 2eed n ALA 19 Cb 0.00 -0.57 0.70 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.35 0.75 1.21 0.00 0.00 -1.66 1.07 103.07 104.08 2eed h GLY 20 Ca -0.39 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2eed h GLY 20 CO -0.13 -0.21 -0.07 1.41 0.00 0.00 0.00 176.54 177.55 2eed h LEU 21 N 0.07 0.92 0.00 3.11 3.38 -1.86 -3.31 115.31 117.62 2eed h LEU 21 Ca 0.80 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.46 2eed h LEU 21 Cb 2.77 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 43.27 2eed h LEU 21 CO -0.24 1.02 -0.23 -1.28 0.09 0.00 0.00 178.44 177.80 2eed h SER 22 N 0.85 0.00 -5.12 -0.43 0.87 0.84 -3.41 113.55 107.15 2eed h SER 22 Ca 0.14 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2eed h SER 22 Cb 0.59 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.46 2eed h SER 22 CO 0.04 0.85 -0.00 -1.59 -0.53 0.00 0.00 176.83 175.59 2eed s LYS 23 N -1.99 1.44 0.18 2.24 -2.85 0.47 -3.85 119.74 115.37 2eed s LYS 23 Ca -0.13 -0.97 0.02 0.00 -1.00 0.00 0.00 55.97 53.89 2eed s LYS 23 Cb -0.00 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 2eed s LYS 23 CO 0.36 -0.61 -0.01 0.00 0.10 0.00 0.00 175.35 175.19 2eed s ALA 24 N -3.91 1.43 -0.04 0.59 0.00 -1.21 -3.21 121.76 115.40 2eed s ALA 24 Ca 0.12 -1.60 0.02 0.00 0.00 0.00 0.00 51.96 50.50 2eed s ALA 24 Cb -0.01 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2eed s ALA 24 CO 0.01 -0.28 -0.09 -0.06 0.00 0.00 0.00 175.76 175.34 2eed s PHE 25 N -3.58 1.07 0.36 0.00 0.08 -1.26 -4.07 117.98 110.59 2eed s PHE 25 Ca 0.23 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.68 2eed s PHE 25 Cb 0.06 -0.82 -0.12 0.00 -0.57 0.00 0.00 43.02 41.57 2eed s PHE 25 CO 0.04 -0.19 1.21 0.28 -0.10 0.00 0.00 175.22 176.46 2eed n VAL 26 N 3.70 2.17 0.00 -0.44 0.31 -1.26 -2.45 118.33 120.35 2eed n VAL 26 Ca -0.22 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2eed n VAL 26 Cb 0.52 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.90 1.43 3.07 2.92 0.00 -0.87 -4.94 105.19 107.71 2eed n GLY 27 Ca 0.06 -0.00 -0.25 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 -3.68 -3.97 1.61 6.02 -1.03 -4.89 117.38 111.44 2eed n GLN 28 Ca 0.00 -1.19 -0.30 0.00 -0.01 0.00 0.00 57.00 55.50 2eed n GLN 28 Cb 0.00 -1.73 -0.16 0.00 1.02 0.00 0.00 30.24 29.37 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 -4.51 1.90 -0.13 -1.09 2.20 -1.26 -4.51 119.74 112.35 2eed s LYS 29 Ca 0.55 -0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 55.28 2eed s LYS 29 Cb -0.10 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.88 2eed s LYS 29 CO 0.46 -0.42 0.29 -1.12 -0.36 0.00 0.00 175.35 174.20 2eed s SER 30 N 1.46 6.49 0.07 1.43 0.01 -1.14 -4.99 113.70 117.04 2eed s SER 30 Ca -0.00 0.58 0.05 0.00 1.31 0.00 0.00 55.95 57.89 2eed s SER 30 Cb -0.16 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2eed s SER 30 CO -0.08 0.18 -0.14 -0.94 0.41 0.00 0.00 173.24 172.68 2eed s SER 31 N -0.03 1.64 -0.12 2.44 1.04 -1.26 -2.06 113.70 115.35 2eed s SER 31 Ca 0.18 -0.64 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 2eed s SER 31 Cb -0.13 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 65.98 2eed s SER 31 CO 0.06 -0.10 0.30 0.72 0.98 0.00 0.00 173.24 175.19 2eed s PHE 32 N -1.42 -0.36 -0.05 5.02 -0.12 -0.84 -3.55 117.98 116.68 2eed s PHE 32 Ca -0.01 0.85 -0.03 0.00 -0.05 0.00 0.00 56.93 57.68 2eed s PHE 32 Cb -0.09 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 2eed s PHE 32 CO 0.02 -0.20 0.12 -1.17 -0.05 0.00 0.00 175.22 173.94 2eed s LEU 33 N 0.59 4.15 -0.20 -1.99 1.98 0.71 -2.61 118.68 121.31 2eed s LEU 33 Ca -0.04 0.30 0.01 0.00 -2.89 0.00 0.00 54.13 51.51 2eed s LEU 33 Cb -0.05 -2.28 0.04 0.00 0.66 0.00 0.00 46.19 44.56 2eed s LEU 33 CO -0.03 0.32 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.94 2eed s VAL 34 N -1.16 1.73 -0.24 1.68 1.01 -1.10 -0.21 120.40 122.12 2eed s VAL 34 Ca 0.21 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 2eed s VAL 34 Cb -0.12 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2eed s VAL 34 CO 0.12 0.18 0.55 -0.62 0.00 0.00 0.00 175.10 175.32 2eed s ASP 35 N 1.36 6.52 -0.27 3.32 2.15 -0.59 -2.39 116.67 126.77 2eed s ASP 35 Ca -0.02 0.63 0.10 0.00 0.43 0.00 0.00 52.55 53.69 2eed s ASP 35 Cb -0.16 -2.30 0.46 0.00 -0.30 0.00 0.00 42.92 40.61 2eed s ASP 35 CO -0.08 -0.28 1.19 0.00 -0.17 0.00 0.00 175.17 175.83 2eed h SER 37 N 1.98 -0.66 -0.86 0.00 0.87 -1.86 -3.11 113.55 109.91 2eed h SER 37 Ca 0.24 -0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.29 2eed h SER 37 Cb 1.43 0.17 -0.28 0.00 -0.44 0.00 0.00 62.40 63.28 2eed h SER 37 CO 0.55 -0.43 0.49 2.29 -0.53 0.00 0.00 176.83 179.20 2eed n LYS 38 N -5.40 2.39 -0.13 2.24 2.85 -1.26 -4.50 118.16 114.35 2eed n LYS 38 Ca -0.12 -3.20 -0.25 0.00 -1.05 0.00 0.00 58.31 53.68 2eed n LYS 38 Cb 0.33 -2.15 -0.08 0.00 -0.65 0.00 0.00 35.03 32.48 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2eed n ALA 39 N -1.05 1.12 0.00 0.58 0.00 -1.18 -4.83 120.51 115.16 2eed n ALA 39 Ca 0.55 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2eed n ALA 39 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.78 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 1.30 -1.71 1.52 0.00 0.00 -1.25 -1.28 105.19 103.78 2eed n GLY 40 Ca -0.45 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 2.91 2.90 -3.72 1.61 3.41 -1.26 -4.91 113.62 114.55 2eed n SER 41 Ca 0.00 -3.74 -0.18 0.00 -0.26 0.00 0.00 58.87 54.68 2eed n SER 41 Cb 0.00 -0.70 0.11 0.00 -0.26 0.00 0.00 64.21 63.35 2eed n SER 41 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2eed n ASN 42 N -1.13 0.70 -4.71 4.04 2.85 -1.26 -5.10 115.26 110.65 2eed n ASN 42 Ca 0.42 -1.68 -0.34 0.00 -0.11 0.00 0.00 54.58 52.87 2eed n ASN 42 Cb 1.24 -0.56 -0.09 0.00 1.24 0.00 0.00 39.78 41.61 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 -4.63 2.93 -0.09 1.20 0.23 -1.26 -4.98 119.30 112.71 2eed s MET 43 Ca 0.51 -0.50 -0.10 0.00 -1.03 0.00 0.00 55.69 54.57 2eed s MET 43 Cb -0.02 -2.77 -0.05 0.00 -1.53 0.00 0.00 34.83 30.46 2eed s MET 43 CO 0.34 0.66 0.23 -1.17 -2.03 0.00 0.00 175.02 173.06 2eed s LEU 44 N -1.33 4.41 0.16 0.18 2.96 -1.26 -2.67 118.68 121.12 2eed s LEU 44 Ca 0.18 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.69 2eed s LEU 44 Cb -0.12 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2eed s LEU 44 CO 0.08 0.36 0.11 -1.48 -1.32 0.00 0.00 176.35 174.10 2eed s LEU 45 N -0.93 1.48 0.04 -0.68 0.05 -1.17 -5.04 118.68 112.43 2eed s LEU 45 Ca 0.18 -1.23 0.06 0.00 0.05 0.00 0.00 54.13 53.18 2eed s LEU 45 Cb -0.14 0.43 -0.02 0.00 -2.05 0.00 0.00 46.19 44.41 2eed s LEU 45 CO 0.07 -0.79 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.29 2eed s ILE 46 N -4.08 1.27 -0.39 1.48 -1.09 -1.26 -3.18 121.20 113.96 2eed s ILE 46 Ca 0.28 -1.03 0.12 0.00 -2.23 0.00 0.00 60.65 57.79 2eed s ILE 46 Cb 0.07 -1.13 0.42 0.00 -1.58 0.00 0.00 42.46 40.23 2eed s ILE 46 CO 0.05 0.08 0.95 0.61 -1.23 0.00 0.00 174.94 175.41 2eed n GLY 47 N 1.94 3.55 3.66 6.18 0.00 0.26 -4.99 105.19 115.77 2eed n GLY 47 Ca -0.17 -1.92 -0.64 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.13 0.08 -3.20 1.61 0.24 -1.26 -4.20 118.33 111.47 2eed n VAL 48 Ca 0.22 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.34 62.13 2eed n VAL 48 Cb 0.70 -0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 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 3.76 3.74 -0.81 6.34 2.46 -1.20 -4.97 115.29 124.62 2eed s HIS 49 Ca 1.06 1.32 0.02 0.00 0.47 0.00 0.00 55.06 57.93 2eed s HIS 49 Cb -1.37 -2.55 0.30 0.00 -0.13 0.00 0.00 32.58 28.84 2eed s HIS 49 CO 0.74 0.48 1.20 0.41 -2.47 0.00 0.00 174.74 175.10 2eed n GLY 50 N 1.24 5.40 0.21 1.59 0.00 -1.26 -4.58 105.19 107.78 2eed n GLY 50 Ca -0.06 -2.72 0.07 0.00 0.00 0.00 0.00 46.02 43.31 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 4.15 0.00 0.00 1.61 0.13 -1.94 -3.39 132.00 132.55 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 1.02 0.30 -0.54 -2.37 -0.23 0.00 0.00 178.00 176.18 2eed n THR 52 N -3.63 0.29 -3.73 1.56 5.66 -1.26 -5.10 114.28 108.07 2eed n THR 52 Ca -0.01 0.10 -0.13 0.00 -3.05 0.00 0.00 64.05 60.96 2eed n THR 52 Cb 0.43 -1.29 -0.10 0.00 -1.55 0.00 0.00 70.33 67.81 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 -2.00 -0.00 0.78 1.09 2.01 -1.26 -5.14 115.64 111.11 2eed s THR 53 Ca 0.00 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 2eed s THR 53 Cb 0.00 -0.59 0.06 0.00 0.01 0.00 0.00 72.50 71.98 2eed s THR 53 CO 0.00 0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 172.87 2eed s PRO 54 N 0.43 2.23 0.33 4.92 0.04 -1.26 -4.75 135.00 136.93 2eed s PRO 54 Ca -0.02 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 2eed s PRO 54 Cb -0.04 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2eed s PRO 54 CO -0.02 -1.67 0.63 0.00 0.04 0.00 0.00 177.00 175.99 2eed h GLU 56 N 1.59 0.77 -2.02 0.00 4.39 -1.37 -3.48 114.58 114.47 2eed h GLU 56 Ca -0.47 -0.11 0.27 0.00 0.34 0.00 0.00 59.36 59.38 2eed h GLU 56 Cb 1.19 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.62 2eed h GLU 56 CO 0.65 0.64 0.73 -1.83 -1.16 0.00 0.00 179.01 178.04 2eed s GLU 57 N -5.70 0.75 -0.16 2.33 -1.05 -1.26 -5.01 118.70 108.59 2eed s GLU 57 Ca -0.13 -0.45 -0.05 0.00 -0.15 0.00 0.00 54.97 54.19 2eed s GLU 57 Cb 0.12 0.23 0.06 0.00 -0.44 0.00 0.00 34.13 34.10 2eed s GLU 57 CO 0.77 -0.35 0.10 0.08 0.95 0.00 0.00 175.26 176.81 2eed s VAL 58 N -2.42 -0.12 -0.45 1.83 1.01 -1.26 -3.68 120.40 115.32 2eed s VAL 58 Ca 0.19 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2eed s VAL 58 Cb 0.01 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.89 2eed s VAL 58 CO 0.00 -0.22 0.45 -0.55 0.00 0.00 0.00 175.10 174.78 2eed s SER 59 N 2.16 6.18 -0.18 3.32 0.15 0.12 -4.96 113.70 120.50 2eed s SER 59 Ca 0.03 -0.90 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 2eed s SER 59 Cb -0.16 -2.22 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2eed s SER 59 CO -0.09 -0.64 -0.12 -0.04 1.20 0.00 0.00 173.24 173.55 2eed s MET 60 N 2.06 3.25 0.01 5.44 -1.94 -1.26 -1.56 119.30 125.30 2eed s MET 60 Ca 0.10 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.32 2eed s MET 60 Cb -0.19 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 2eed s MET 60 CO 0.11 -0.08 0.08 0.15 -0.01 0.00 0.00 175.02 175.28 2eed s LYS 61 N 1.08 0.46 -1.10 2.03 -0.14 -0.38 -4.99 119.74 116.70 2eed s LYS 61 Ca -0.00 -0.53 -0.08 0.00 -1.36 0.00 0.00 55.97 54.00 2eed s LYS 61 Cb -0.15 0.18 0.28 0.00 -1.68 0.00 0.00 37.83 36.47 2eed s LYS 61 CO -0.03 -0.10 1.13 1.58 -0.76 0.00 0.00 175.35 177.16 2eed n HIS 62 N 1.36 4.97 -0.34 3.18 -0.00 -1.26 0.30 115.22 123.43 2eed n HIS 62 Ca -0.22 -3.82 0.36 0.00 -0.00 0.00 0.00 57.72 54.04 2eed n HIS 62 Cb 0.56 -1.63 0.72 0.00 -0.00 0.00 0.00 29.99 29.64 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 3.64 0.24 0.00 3.57 -1.51 -1.87 -3.47 116.25 116.87 2eed h VAL 63 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 2eed h VAL 63 Cb 0.84 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2eed h VAL 63 CO 1.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.99 2eed n GLY 64 N -1.76 1.30 2.46 5.19 0.00 -1.21 -4.99 105.19 106.17 2eed n GLY 64 Ca 0.27 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 2eed n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2eed n ASN 65 N 0.00 -5.72 -0.98 1.61 2.85 -1.26 -0.84 115.26 110.91 2eed n ASN 65 Ca 0.00 0.16 -0.10 0.00 -0.11 0.00 0.00 54.58 54.53 2eed n ASN 65 Cb 0.00 -4.86 -0.02 0.00 1.24 0.00 0.00 39.78 36.14 2eed n ASN 65 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eed n GLN 66 N -2.80 -0.77 -4.00 1.20 1.13 -1.26 -4.76 117.38 106.13 2eed n GLN 66 Ca -0.23 0.67 -0.35 0.00 -1.94 0.00 0.00 57.00 55.15 2eed n GLN 66 Cb 0.68 -4.68 -0.13 0.00 0.11 0.00 0.00 30.24 26.22 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 -3.71 3.52 -0.30 -1.09 -0.21 -0.02 -1.67 119.66 116.18 2eed s GLN 67 Ca 0.00 -0.56 -0.08 0.00 0.02 0.00 0.00 55.36 54.74 2eed s GLN 67 Cb 0.00 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.95 2eed s GLN 67 CO 0.00 -0.09 0.11 0.71 -2.12 0.00 0.00 175.29 173.90 2eed s TYR 68 N 1.24 3.16 -0.36 0.91 2.02 -1.00 -2.46 117.35 120.85 2eed s TYR 68 Ca 0.03 -0.77 -0.23 0.00 -0.37 0.00 0.00 57.07 55.73 2eed s TYR 68 Cb -0.15 -2.30 0.01 0.00 -0.40 0.00 0.00 41.96 39.13 2eed s TYR 68 CO 0.00 -0.51 0.76 1.21 -1.57 0.00 0.00 175.55 175.44 2eed s ASN 69 N 1.56 6.54 -0.20 2.29 3.04 0.15 -2.70 114.94 125.61 2eed s ASN 69 Ca 0.04 0.35 0.01 0.00 0.04 0.00 0.00 52.86 53.29 2eed s ASN 69 Cb -0.17 -2.39 0.04 0.00 -1.54 0.00 0.00 41.25 37.19 2eed s ASN 69 CO 0.04 -0.71 -0.12 -0.69 -3.04 0.00 0.00 177.10 172.59 2eed s VAL 70 N 3.04 1.75 -0.00 -5.21 1.01 -1.07 -1.25 120.40 118.67 2eed s VAL 70 Ca 0.30 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2eed s VAL 70 Cb -0.13 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2eed s VAL 70 CO 0.16 0.19 -0.18 -0.89 0.00 0.00 0.00 175.10 174.38 2eed s THR 71 N 1.35 1.44 0.29 3.92 2.01 -0.60 -1.98 115.64 122.07 2eed s THR 71 Ca -0.01 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.18 2eed s THR 71 Cb -0.16 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2eed s THR 71 CO -0.08 0.35 0.20 -0.72 -0.69 0.00 0.00 174.62 173.68 2eed s TYR 72 N -0.50 1.56 -0.02 4.92 -0.85 -0.87 -0.70 117.35 120.88 2eed s TYR 72 Ca 0.07 -1.49 0.00 0.00 -0.52 0.00 0.00 57.07 55.13 2eed s TYR 72 Cb -0.07 -0.74 0.02 0.00 0.38 0.00 0.00 41.96 41.55 2eed s TYR 72 CO -0.00 -0.68 0.01 0.08 -1.52 0.00 0.00 175.55 173.43 2eed s VAL 73 N -3.67 0.06 0.05 -3.49 1.01 -1.24 -2.89 120.40 110.23 2eed s VAL 73 Ca 0.38 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.51 2eed s VAL 73 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 2eed s VAL 73 CO 0.20 0.09 -0.05 0.68 0.00 0.00 0.00 175.10 176.02 2eed s VAL 74 N 0.76 3.74 -0.05 2.92 -7.23 -1.26 -0.85 120.40 118.42 2eed s VAL 74 Ca -0.07 -0.93 0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2eed s VAL 74 Cb -0.10 -2.70 -0.14 0.00 0.56 0.00 0.00 36.38 34.00 2eed s VAL 74 CO -0.02 0.25 0.22 1.17 -0.31 0.00 0.00 175.10 176.42 2eed n LYS 75 N 1.07 0.60 -4.25 4.82 3.00 -1.26 -2.04 118.16 120.09 2eed n LYS 75 Ca -0.14 -0.08 -0.27 0.00 -0.00 0.00 0.00 58.31 57.82 2eed n LYS 75 Cb 0.52 -1.20 -0.09 0.00 0.00 0.00 0.00 35.03 34.26 2eed n LYS 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2eed s GLU 76 N -2.59 2.17 0.01 1.64 -6.30 -1.26 -4.83 118.70 107.53 2eed s GLU 76 Ca -0.03 -1.17 0.04 0.00 -2.50 0.00 0.00 54.97 51.31 2eed s GLU 76 Cb 0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 34.13 31.91 2eed s GLU 76 CO 0.39 0.46 -0.09 -0.98 0.02 0.00 0.00 175.26 175.06 2eed s ARG 77 N -2.74 2.48 0.00 4.30 1.70 -1.26 -4.80 118.95 118.63 2eed s ARG 77 Ca 0.25 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 2eed s ARG 77 Cb -0.09 -2.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 2eed s ARG 77 CO 0.16 0.59 0.00 0.41 -1.08 0.00 0.00 175.30 175.38 2eed n GLY 78 N 1.59 -0.20 3.58 3.88 0.00 -1.25 -4.99 105.19 107.80 2eed n GLY 78 Ca -0.16 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 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 6.13 0.31 1.61 1.11 -1.26 -2.49 116.67 118.08 2eed s ASP 79 Ca 0.00 0.00 0.09 0.00 0.18 0.00 0.00 52.55 52.82 2eed s ASP 79 Cb 0.00 -2.17 -0.05 0.00 1.07 0.00 0.00 42.92 41.78 2eed s ASP 79 CO 0.00 -0.17 0.04 -0.31 1.18 0.00 0.00 175.17 175.91 2eed s TYR 80 N 1.91 2.65 -0.24 4.23 2.02 -0.64 -4.66 117.35 122.62 2eed s TYR 80 Ca 0.11 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 2eed s TYR 80 Cb -0.16 -1.42 0.08 0.00 -0.40 0.00 0.00 41.96 40.06 2eed s TYR 80 CO 0.11 0.49 0.09 0.08 -1.57 0.00 0.00 175.55 174.74 2eed s VAL 81 N -2.42 0.26 -0.41 0.71 1.01 -1.26 -2.99 120.40 115.30 2eed s VAL 81 Ca 0.34 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 2eed s VAL 81 Cb -0.03 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2eed s VAL 81 CO 0.20 -0.46 0.96 -0.22 0.00 0.00 0.00 175.10 175.58 2eed s LEU 82 N 1.96 3.95 -0.40 3.92 2.96 -1.19 -3.26 118.68 126.61 2eed s LEU 82 Ca 0.05 0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 54.26 2eed s LEU 82 Cb -0.17 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.26 2eed s LEU 82 CO -0.20 -0.97 0.28 0.00 -1.32 0.00 0.00 176.35 174.14 2eed s ALA 83 N 3.69 3.43 -0.11 5.97 0.00 -1.26 -2.47 121.76 131.02 2eed s ALA 83 Ca 0.39 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2eed s ALA 83 Cb -0.11 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 2eed s ALA 83 CO 0.23 -1.44 -0.18 0.08 0.00 0.00 0.00 175.76 174.45 2eed s VAL 84 N 1.65 2.65 0.15 0.00 1.01 -1.26 -0.57 120.40 124.03 2eed s VAL 84 Ca 0.04 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.31 2eed s VAL 84 Cb -0.19 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2eed s VAL 84 CO 0.09 0.54 -0.23 -0.54 0.00 0.00 0.00 175.10 174.96 2eed s LYS 85 N 0.28 1.38 -0.37 2.72 1.02 -1.19 -2.98 119.74 120.60 2eed s LYS 85 Ca -0.13 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2eed s LYS 85 Cb -0.16 -1.70 0.12 0.00 -0.52 0.00 0.00 37.83 35.57 2eed s LYS 85 CO 0.07 0.38 0.18 -0.46 -0.92 0.00 0.00 175.35 174.60 2eed s TRP 86 N -1.46 1.37 -0.62 3.18 -0.11 0.27 -3.03 118.94 118.54 2eed s TRP 86 Ca 0.16 -1.86 -0.08 0.00 1.22 0.00 0.00 56.10 55.54 2eed s TRP 86 Cb -0.09 -1.46 0.01 0.00 -1.50 0.00 0.00 33.47 30.43 2eed s TRP 86 CO 0.07 -0.83 0.65 0.41 -4.62 0.00 0.00 176.95 172.64 2eed n GLY 87 N 4.20 -1.20 3.89 5.86 0.00 -1.09 -3.26 105.19 113.58 2eed n GLY 87 Ca 0.05 0.81 -0.29 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.20 -5.66 -3.95 1.61 1.02 -1.26 -4.95 120.64 106.25 2eed n GLU 88 Ca 0.02 0.61 -0.10 0.00 -0.02 0.00 0.00 57.16 57.67 2eed n GLU 88 Cb 0.51 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 26.41 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 -6.57 1.90 -0.16 3.49 2.02 -1.20 -5.14 118.70 113.04 2eed s GLU 89 Ca 0.62 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2eed s GLU 89 Cb -0.31 0.53 0.03 0.00 0.10 0.00 0.00 34.13 34.48 2eed s GLU 89 CO 0.82 -0.83 -0.10 -1.01 0.02 0.00 0.00 175.26 174.16 2eed s HIS 90 N -3.20 1.97 0.64 1.61 3.76 -1.26 -0.57 115.29 118.24 2eed s HIS 90 Ca 0.21 -1.18 -0.17 0.00 -0.15 0.00 0.00 55.06 53.77 2eed s HIS 90 Cb -0.03 -1.46 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 2eed s HIS 90 CO 0.13 -0.64 0.71 0.44 -0.85 0.00 0.00 174.74 174.52 2eed n ILE 91 N 4.81 2.67 -2.04 0.60 -5.35 -1.16 -4.74 119.36 114.15 2eed n ILE 91 Ca -0.14 -0.46 -0.32 0.00 -0.27 0.00 0.00 62.75 61.55 2eed n ILE 91 Cb 0.49 -0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.62 2.59 0.00 6.28 0.04 -1.26 -2.85 135.00 137.18 2eed s PRO 92 Ca 0.71 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2eed s PRO 92 Cb -0.40 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.40 2eed s PRO 92 CO 0.52 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.90 2eed n GLY 93 N 6.30 0.28 3.86 0.56 0.00 -1.26 -4.98 105.19 109.95 2eed n GLY 93 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 5.99 0.15 1.61 0.15 -1.13 -3.08 113.70 117.39 2eed s SER 94 Ca 0.00 0.11 -0.31 0.00 0.70 0.00 0.00 55.95 56.45 2eed s SER 94 Cb 0.00 -1.73 -0.08 0.00 -1.71 0.00 0.00 66.02 62.50 2eed s SER 94 CO 0.00 0.13 1.33 -2.16 1.20 0.00 0.00 173.24 173.75 2eed s PRO 95 N -2.71 4.36 0.54 5.44 0.04 -1.26 -4.95 135.00 136.46 2eed s PRO 95 Ca 0.33 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 2eed s PRO 95 Cb -0.12 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 2eed s PRO 95 CO 0.26 -0.33 1.00 -0.06 0.04 0.00 0.00 177.00 177.91 2eed s PHE 96 N 0.61 3.39 -0.51 0.56 0.40 -1.03 -4.90 117.98 116.50 2eed s PHE 96 Ca 0.60 1.46 -0.09 0.00 -0.60 0.00 0.00 56.93 58.31 2eed s PHE 96 Cb -0.36 -2.82 0.13 0.00 0.51 0.00 0.00 43.02 40.48 2eed s PHE 96 CO 0.34 -0.51 0.38 -1.58 0.70 0.00 0.00 175.22 174.55 2eed s HIS 97 N -2.64 3.45 -0.31 0.36 5.65 -1.26 -3.19 115.29 117.35 2eed s HIS 97 Ca 0.59 -1.97 -0.12 0.00 0.25 0.00 0.00 55.06 53.82 2eed s HIS 97 Cb -0.11 -3.49 -0.03 0.00 -1.18 0.00 0.00 32.58 27.77 2eed s HIS 97 CO 0.34 -0.98 0.20 0.08 -0.65 0.00 0.00 174.74 173.73 2eed s VAL 98 N 1.14 5.13 -0.18 0.89 1.01 -1.16 -4.70 120.40 122.54 2eed s VAL 98 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2eed s VAL 98 Cb -0.25 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2eed s VAL 98 CO -0.02 0.10 0.00 -0.89 0.00 0.00 0.00 175.10 174.29 2eed s THR 99 N 1.71 4.17 -0.17 3.92 2.01 -1.25 -1.62 115.64 124.41 2eed s THR 99 Ca 0.06 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.76 2eed s THR 99 Cb -0.17 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2eed s THR 99 CO 0.10 0.46 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 2eed s VAL 100 N 0.58 4.07 -2.00 3.82 1.01 -1.04 -3.36 120.40 123.47 2eed s VAL 100 Ca -0.00 -0.29 0.16 0.00 0.00 0.00 0.00 61.98 61.84 2eed s VAL 100 Cb -0.14 -2.80 0.45 0.00 0.00 0.00 0.00 36.38 33.89 2eed s VAL 100 CO 0.02 0.48 1.35 -0.81 0.00 0.00 0.00 175.10 176.14