#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 4.97 -0.03 1.61 1.04 -1.26 -4.99 113.70 115.05 2eed s SER 2 Ca 0.00 -0.70 -0.24 0.00 0.48 0.00 0.00 55.95 55.49 2eed s SER 2 Cb 0.00 -1.84 -0.20 0.00 0.10 0.00 0.00 66.02 64.07 2eed s SER 2 CO 0.00 -0.17 1.17 0.77 0.98 0.00 0.00 173.24 175.99 2eed h SER 3 N 8.20 0.15 0.00 7.02 4.64 -2.04 -3.50 113.55 128.02 2eed h SER 3 Ca -0.32 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 2eed h SER 3 Cb 1.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2eed h SER 3 CO 0.60 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.91 2eed n GLY 4 N 0.59 -0.90 3.60 -0.77 0.00 -1.26 -5.10 105.19 101.35 2eed n GLY 4 Ca -0.08 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 5.66 0.21 1.61 1.04 -1.26 -4.92 113.70 112.04 2eed s SER 5 Ca 0.00 1.70 -0.19 0.00 0.48 0.00 0.00 55.95 57.94 2eed s SER 5 Cb 0.00 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.64 2eed s SER 5 CO 0.00 -1.83 0.57 -0.94 0.98 0.00 0.00 173.24 172.03 2eed s SER 6 N 7.29 -0.31 0.22 7.02 1.04 -1.26 -5.18 113.70 122.52 2eed s SER 6 Ca 0.92 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 57.00 2eed s SER 6 Cb -0.29 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2eed s SER 6 CO 0.35 -1.09 0.04 -0.83 0.98 0.00 0.00 173.24 172.68 2eed s GLY 7 N -2.86 1.64 0.96 7.32 0.00 -1.26 -5.09 107.32 108.03 2eed s GLY 7 Ca 0.08 -1.46 -0.15 0.00 0.00 0.00 0.00 44.72 43.19 2eed s GLY 7 CO -0.03 -1.50 -0.27 -1.14 0.00 0.00 0.00 173.10 170.17 2eed n SER 8 N -0.57 -4.28 -4.68 1.64 3.41 -1.26 -4.81 113.62 103.07 2eed n SER 8 Ca -0.08 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 2eed n SER 8 Cb 0.57 -0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 2eed n SER 8 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eed s SER 9 N -1.42 6.76 -0.04 4.04 1.04 -1.26 -4.79 113.70 118.03 2eed s SER 9 Ca 0.48 2.17 -0.00 0.00 0.48 0.00 0.00 55.95 59.08 2eed s SER 9 Cb -0.20 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 2eed s SER 9 CO 0.76 -0.82 0.01 -1.81 0.98 0.00 0.00 173.24 172.37 2eed s ASP 10 N 2.44 5.26 -0.17 7.02 1.11 -0.01 -4.97 116.67 127.35 2eed s ASP 10 Ca 0.68 0.08 0.02 0.00 0.18 0.00 0.00 52.55 53.51 2eed s ASP 10 Cb -0.32 -1.44 -0.22 0.00 1.07 0.00 0.00 42.92 42.00 2eed s ASP 10 CO 0.27 0.32 0.14 0.00 1.18 0.00 0.00 175.17 177.08 2eed n ALA 11 N 1.66 1.25 -0.05 5.23 0.00 -1.26 -4.07 120.51 123.26 2eed n ALA 11 Ca -0.16 -0.90 0.13 0.00 0.00 0.00 0.00 53.44 52.51 2eed n ALA 11 Cb 0.53 -0.42 0.54 0.00 0.00 0.00 0.00 19.45 20.10 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 0.03 0.28 1.01 0.00 0.87 -1.94 0.11 113.55 113.90 2eed h SER 12 Ca -0.48 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 2eed h SER 12 Cb 2.01 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.90 2eed h SER 12 CO 0.01 0.17 -0.49 0.11 -0.53 0.00 0.00 176.83 176.10 2eed h LYS 13 N 0.31 0.00 -6.31 2.24 1.79 -1.88 -3.44 116.57 109.29 2eed h LYS 13 Ca 0.26 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.18 2eed h LYS 13 Cb 0.61 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2eed h LYS 13 CO -0.06 0.49 1.02 0.08 -1.08 0.00 0.00 179.45 179.90 2eed s VAL 14 N -3.35 3.54 0.12 0.50 1.01 0.38 -4.72 120.40 117.88 2eed s VAL 14 Ca 0.01 0.77 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2eed s VAL 14 Cb 0.10 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2eed s VAL 14 CO 0.72 -0.05 -0.08 0.42 0.00 0.00 0.00 175.10 176.12 2eed s THR 15 N 3.51 3.46 -0.04 3.92 -4.23 -0.66 -4.50 115.64 117.10 2eed s THR 15 Ca 0.71 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 2eed s THR 15 Cb -0.34 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 70.87 2eed s THR 15 CO 0.29 0.06 -0.10 -0.94 -0.54 0.00 0.00 174.62 173.39 2eed s SER 16 N -2.37 1.34 0.32 3.99 1.04 -1.26 0.17 113.70 116.93 2eed s SER 16 Ca 0.23 -0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.50 2eed s SER 16 Cb -0.11 -0.44 -0.06 0.00 0.10 0.00 0.00 66.02 65.51 2eed s SER 16 CO 0.15 0.05 0.03 -1.59 0.98 0.00 0.00 173.24 172.86 2eed s LYS 17 N 0.35 1.65 0.00 4.02 0.00 -0.22 -5.01 119.74 120.53 2eed s LYS 17 Ca -0.06 -1.90 0.00 0.00 0.00 0.00 0.00 55.97 54.01 2eed s LYS 17 Cb -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 37.83 36.73 2eed s LYS 17 CO 0.01 -0.12 0.00 0.41 0.00 0.00 0.00 175.35 175.65 2eed n GLY 18 N -0.68 0.46 0.30 0.59 0.00 -1.26 -2.19 105.19 102.41 2eed n GLY 18 Ca -0.03 -2.24 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.00 1.78 0.28 4.61 0.00 -1.24 -4.50 120.51 120.44 2eed n ALA 19 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 53.44 52.84 2eed n ALA 19 Cb 0.00 0.21 0.39 0.00 0.00 0.00 0.00 19.45 20.05 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 0.19 0.00 1.46 0.00 0.00 -1.57 1.08 103.07 104.23 2eed h GLY 20 Ca -0.41 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.63 2eed h GLY 20 CO -0.18 0.00 -1.36 1.41 0.00 0.00 0.00 176.54 176.41 2eed h LEU 21 N 0.00 0.47 0.14 3.11 3.38 -1.84 -3.36 115.31 117.20 2eed h LEU 21 Ca 0.05 -0.54 -0.28 0.00 0.09 0.00 0.00 57.88 57.20 2eed h LEU 21 Cb 1.50 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2eed h LEU 21 CO -0.00 1.43 -1.38 -1.28 0.09 0.00 0.00 178.44 177.30 2eed h SER 22 N 0.08 0.45 -2.15 -0.43 0.87 0.81 -3.41 113.55 109.76 2eed h SER 22 Ca -0.18 -0.88 -0.02 0.00 -1.23 0.00 0.00 61.79 59.48 2eed h SER 22 Cb 2.01 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.83 2eed h SER 22 CO 0.20 1.62 0.16 2.29 -0.53 0.00 0.00 176.83 180.57 2eed n LYS 23 N -3.89 0.66 -3.61 2.24 -0.00 0.48 -3.89 118.16 110.15 2eed n LYS 23 Ca -0.23 -1.30 -0.13 0.00 -0.00 0.00 0.00 58.31 56.66 2eed n LYS 23 Cb 0.92 1.62 -0.07 0.00 -0.00 0.00 0.00 35.03 37.51 2eed n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2eed s ALA 24 N -1.63 -1.85 -0.20 0.58 0.00 -1.22 -3.24 121.76 114.20 2eed s ALA 24 Ca 0.09 1.82 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 2eed s ALA 24 Cb -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2eed s ALA 24 CO 0.07 -0.31 0.03 -0.06 0.00 0.00 0.00 175.76 175.49 2eed s PHE 25 N -0.09 3.10 0.18 0.00 0.08 -1.26 -4.09 117.98 115.91 2eed s PHE 25 Ca -0.01 -0.29 -0.31 0.00 0.12 0.00 0.00 56.93 56.44 2eed s PHE 25 Cb -0.04 -2.11 -0.16 0.00 -0.57 0.00 0.00 43.02 40.14 2eed s PHE 25 CO 0.00 -0.14 0.84 0.28 -0.10 0.00 0.00 175.22 176.10 2eed n VAL 26 N 4.15 1.47 0.00 -0.44 0.31 -1.26 -1.23 118.33 121.33 2eed n VAL 26 Ca -0.17 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2eed n VAL 26 Cb 0.52 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 1.77 1.63 3.76 2.92 0.00 -0.91 -4.95 105.19 109.41 2eed n GLY 27 Ca 0.16 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.40 1.61 -0.21 -0.37 -4.87 119.66 119.57 2eed s GLN 28 Ca 0.00 2.52 -0.25 0.00 0.02 0.00 0.00 55.36 57.64 2eed s GLN 28 Cb 0.00 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 31.02 2eed s GLN 28 CO 0.00 -0.53 0.91 0.21 -2.12 0.00 0.00 175.29 173.76 2eed s LYS 29 N -1.31 3.72 -0.07 2.91 2.20 -1.26 -4.57 119.74 121.37 2eed s LYS 29 Ca 0.57 0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 56.45 2eed s LYS 29 Cb -0.46 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 2eed s LYS 29 CO 0.55 -1.04 0.33 -1.12 -0.36 0.00 0.00 175.35 173.70 2eed s SER 30 N 2.02 6.62 0.23 1.43 0.01 -1.01 -4.94 113.70 118.05 2eed s SER 30 Ca 0.37 0.74 0.08 0.00 1.31 0.00 0.00 55.95 58.45 2eed s SER 30 Cb -0.11 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 2eed s SER 30 CO 0.21 0.27 -0.14 -0.94 0.41 0.00 0.00 173.24 173.05 2eed s SER 31 N -0.58 2.76 -0.28 2.44 1.04 -1.26 -1.79 113.70 116.02 2eed s SER 31 Ca 0.20 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 2eed s SER 31 Cb -0.15 -0.17 0.09 0.00 0.10 0.00 0.00 66.02 65.89 2eed s SER 31 CO 0.09 -0.16 0.77 0.72 0.98 0.00 0.00 173.24 175.63 2eed s PHE 32 N -2.91 -0.83 0.06 5.02 -0.12 -0.12 -3.43 117.98 115.65 2eed s PHE 32 Ca 0.25 1.84 0.00 0.00 -0.05 0.00 0.00 56.93 58.97 2eed s PHE 32 Cb -0.01 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2eed s PHE 32 CO 0.09 -0.41 0.18 -1.17 -0.05 0.00 0.00 175.22 173.87 2eed s LEU 33 N 0.88 4.26 -0.21 -1.99 2.96 -0.93 -2.26 118.68 121.39 2eed s LEU 33 Ca -0.04 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2eed s LEU 33 Cb -0.05 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.84 2eed s LEU 33 CO -0.08 0.18 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.35 2eed s VAL 34 N -1.47 1.56 -0.08 1.68 1.01 -0.97 -1.06 120.40 121.07 2eed s VAL 34 Ca 0.33 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2eed s VAL 34 Cb -0.13 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2eed s VAL 34 CO 0.26 0.08 0.96 -0.62 0.00 0.00 0.00 175.10 175.77 2eed s ASP 35 N 1.42 7.22 -0.13 3.32 2.15 0.13 -2.81 116.67 127.97 2eed s ASP 35 Ca -0.03 1.50 0.20 0.00 0.43 0.00 0.00 52.55 54.65 2eed s ASP 35 Cb -0.17 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.36 2eed s ASP 35 CO -0.07 -0.37 1.18 0.00 -0.17 0.00 0.00 175.17 175.73 2eed h SER 37 N 1.39 -0.48 -0.80 0.00 0.02 -1.90 -2.90 113.55 108.89 2eed h SER 37 Ca -0.09 0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 60.56 2eed h SER 37 Cb 1.51 0.12 -0.19 0.00 0.14 0.00 0.00 62.40 63.99 2eed h SER 37 CO 0.15 -0.34 0.38 0.29 -1.14 0.00 0.00 176.83 176.17 2eed n LYS 38 N -5.33 3.12 -0.06 3.45 4.01 -1.26 -4.52 118.16 117.57 2eed n LYS 38 Ca -0.11 -3.07 -0.05 0.00 -0.51 0.00 0.00 58.31 54.57 2eed n LYS 38 Cb 0.24 -2.18 -0.02 0.00 -0.51 0.00 0.00 35.03 32.57 2eed n LYS 38 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2eed n ALA 39 N -0.55 0.51 0.00 7.82 0.00 -1.09 -4.81 120.51 122.38 2eed n ALA 39 Ca 0.47 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2eed n ALA 39 Cb 1.46 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.93 2eed n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eed n GLY 40 N 1.54 1.95 1.68 0.00 0.00 -1.23 -0.83 105.19 108.30 2eed n GLY 40 Ca -0.08 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 2eed n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eed n SER 41 N 0.00 4.93 -3.78 1.61 7.64 -1.26 -4.91 113.62 117.86 2eed n SER 41 Ca 0.00 -2.82 -0.20 0.00 1.01 0.00 0.00 58.87 56.86 2eed n SER 41 Cb 0.00 -0.87 0.12 0.00 -1.01 0.00 0.00 64.21 62.44 2eed n SER 41 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2eed n ASN 42 N 0.21 0.69 -4.71 6.43 2.85 -1.26 -5.09 115.26 114.39 2eed n ASN 42 Ca 0.25 -1.69 -0.35 0.00 -0.11 0.00 0.00 54.58 52.67 2eed n ASN 42 Cb 0.75 -0.60 -0.09 0.00 1.24 0.00 0.00 39.78 41.08 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 -4.76 3.07 -0.26 1.20 0.23 -1.26 -5.00 119.30 112.52 2eed s MET 43 Ca 0.54 -0.37 -0.13 0.00 -1.03 0.00 0.00 55.69 54.69 2eed s MET 43 Cb -0.02 -2.86 -0.04 0.00 -1.53 0.00 0.00 34.83 30.38 2eed s MET 43 CO 0.36 0.70 0.30 -1.17 -2.03 0.00 0.00 175.02 173.18 2eed s LEU 44 N -0.86 4.07 0.28 0.18 2.96 -1.26 -3.24 118.68 120.80 2eed s LEU 44 Ca 0.13 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.32 2eed s LEU 44 Cb -0.11 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.21 2eed s LEU 44 CO 0.02 -0.09 -0.05 -1.48 -1.32 0.00 0.00 176.35 173.44 2eed s LEU 45 N 1.70 2.44 0.11 -0.68 -0.00 -1.23 -5.08 118.68 115.93 2eed s LEU 45 Ca 0.12 -1.20 0.07 0.00 -0.00 0.00 0.00 54.13 53.12 2eed s LEU 45 Cb -0.15 -0.58 -0.03 0.00 -0.00 0.00 0.00 46.19 45.42 2eed s LEU 45 CO 0.09 -0.37 -0.17 -0.63 -0.00 0.00 0.00 176.35 175.26 2eed s ILE 46 N -3.07 1.50 -0.37 1.48 -1.09 -1.26 -3.38 121.20 115.00 2eed s ILE 46 Ca 0.30 -1.56 0.13 0.00 -2.23 0.00 0.00 60.65 57.28 2eed s ILE 46 Cb 0.04 -1.46 0.42 0.00 -1.58 0.00 0.00 42.46 39.88 2eed s ILE 46 CO 0.12 -0.20 0.95 0.61 -1.23 0.00 0.00 174.94 175.18 2eed n GLY 47 N 0.93 3.19 3.57 6.18 0.00 -0.85 -5.01 105.19 113.20 2eed n GLY 47 Ca -0.18 -1.81 -0.56 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.12 0.02 -1.15 1.61 0.24 -1.26 -4.54 118.33 113.12 2eed n VAL 48 Ca 0.20 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.17 2eed n VAL 48 Cb 0.73 -0.48 0.12 0.00 -1.47 0.00 0.00 33.84 32.73 2eed n VAL 48 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 2eed s HIS 49 N 0.54 1.94 -0.42 6.34 -3.43 -1.26 -4.97 115.29 114.03 2eed s HIS 49 Ca 0.89 1.67 0.08 0.00 -0.80 0.00 0.00 55.06 56.90 2eed s HIS 49 Cb -1.12 -3.39 0.35 0.00 -1.43 0.00 0.00 32.58 26.99 2eed s HIS 49 CO 0.53 -2.62 1.06 0.41 -2.00 0.00 0.00 174.74 172.12 2eed n GLY 50 N 0.19 1.43 0.18 -1.38 0.00 -1.26 -4.49 105.19 99.87 2eed n GLY 50 Ca 0.13 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 2.85 0.58 0.00 1.61 0.13 -2.00 -3.45 132.00 131.72 2eed h PRO 51 Ca -0.08 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2eed h PRO 51 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2eed h PRO 51 CO 0.20 0.89 0.00 0.25 -0.23 0.00 0.00 178.00 179.12 2eed n THR 52 N -4.37 0.19 -3.95 1.56 -2.24 -1.26 -5.02 114.28 99.19 2eed n THR 52 Ca -0.05 0.06 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 2eed n THR 52 Cb 0.43 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.40 2.55 0.25 4.28 2.01 -1.26 -5.10 115.64 116.97 2eed s THR 53 Ca 0.00 -3.24 -0.04 0.00 0.31 0.00 0.00 61.69 58.72 2eed s THR 53 Cb 0.00 -2.78 0.06 0.00 0.01 0.00 0.00 72.50 69.79 2eed s THR 53 CO 0.00 -0.78 0.22 -0.81 -0.69 0.00 0.00 174.62 172.56 2eed n PRO 54 N 3.20 -1.46 -2.42 4.92 -0.04 -1.26 -4.84 135.00 133.10 2eed n PRO 54 Ca 0.05 -0.36 -0.32 0.00 -0.04 0.00 0.00 63.50 62.83 2eed n PRO 54 Cb 0.33 -0.34 -0.03 0.00 -0.04 0.00 0.00 33.50 33.42 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 1.00 1.08 -2.50 0.00 4.39 -1.72 -3.47 114.58 113.36 2eed h GLU 56 Ca -0.47 -0.20 0.16 0.00 0.34 0.00 0.00 59.36 59.18 2eed h GLU 56 Cb 1.19 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 2eed h GLU 56 CO 0.61 0.90 0.55 -1.83 -1.16 0.00 0.00 179.01 178.08 2eed s GLU 57 N -5.53 1.33 -0.24 2.33 1.03 -1.26 -5.03 118.70 111.33 2eed s GLU 57 Ca -0.12 -0.83 -0.03 0.00 0.03 0.00 0.00 54.97 54.01 2eed s GLU 57 Cb 0.15 0.39 0.11 0.00 -0.80 0.00 0.00 34.13 33.97 2eed s GLU 57 CO 0.82 -0.62 0.23 0.08 -1.33 0.00 0.00 175.26 174.45 2eed s VAL 58 N -2.43 -0.32 -0.50 1.83 1.01 -1.26 -3.90 120.40 114.83 2eed s VAL 58 Ca 0.19 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2eed s VAL 58 Cb -0.02 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.60 2eed s VAL 58 CO 0.05 -0.35 0.64 -0.55 0.00 0.00 0.00 175.10 174.89 2eed s SER 59 N 2.31 6.24 -0.17 3.32 0.15 -0.26 -4.94 113.70 120.34 2eed s SER 59 Ca 0.08 -0.83 -0.01 0.00 0.70 0.00 0.00 55.95 55.89 2eed s SER 59 Cb -0.15 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2eed s SER 59 CO -0.21 -0.90 -0.10 -0.04 1.20 0.00 0.00 173.24 173.18 2eed s MET 60 N 2.72 3.33 -0.05 5.44 -1.94 -1.26 -1.50 119.30 126.03 2eed s MET 60 Ca 0.17 -0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 53.42 2eed s MET 60 Cb -0.18 -2.78 0.01 0.00 2.01 0.00 0.00 34.83 33.89 2eed s MET 60 CO 0.13 -0.01 0.13 0.15 -0.01 0.00 0.00 175.02 175.41 2eed s LYS 61 N 0.94 0.15 -1.17 2.03 -0.14 0.37 -5.01 119.74 116.92 2eed s LYS 61 Ca -0.02 0.20 -0.14 0.00 -1.36 0.00 0.00 55.97 54.64 2eed s LYS 61 Cb -0.15 0.05 0.17 0.00 -1.68 0.00 0.00 37.83 36.22 2eed s LYS 61 CO -0.01 -0.03 1.39 -1.58 -0.76 0.00 0.00 175.35 174.36 2eed s HIS 62 N 0.15 3.45 0.65 3.18 5.65 -1.26 0.33 115.29 127.45 2eed s HIS 62 Ca -0.01 -2.03 0.18 0.00 0.25 0.00 0.00 55.06 53.45 2eed s HIS 62 Cb -0.02 -4.31 0.90 0.00 -1.18 0.00 0.00 32.58 27.98 2eed s HIS 62 CO -0.00 -1.41 1.49 -0.39 -0.65 0.00 0.00 174.74 173.78 2eed h VAL 63 N 4.82 0.04 0.00 0.89 -1.51 -1.85 -3.47 116.25 115.18 2eed h VAL 63 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 2eed h VAL 63 Cb 0.90 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 2eed h VAL 63 CO 1.22 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.17 2eed n GLY 64 N -1.41 -1.12 2.52 5.19 0.00 -1.13 -4.96 105.19 104.27 2eed n GLY 64 Ca 0.02 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.81 -1.65 1.61 3.02 -1.26 0.42 115.26 113.59 2eed n ASN 65 Ca 0.00 0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.57 2eed n ASN 65 Cb 0.00 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 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 -2.88 -1.62 -5.00 3.52 1.13 -1.26 -4.88 117.38 106.39 2eed n GLN 66 Ca -0.13 0.63 -0.29 0.00 -1.94 0.00 0.00 57.00 55.27 2eed n GLN 66 Cb 0.60 -4.86 -0.17 0.00 0.11 0.00 0.00 30.24 25.93 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 -4.83 2.41 -0.26 -1.09 -0.21 0.17 -2.11 119.66 113.74 2eed s GLN 67 Ca 0.05 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 2eed s GLN 67 Cb -0.02 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 32.09 2eed s GLN 67 CO 0.06 0.18 -0.04 0.71 -2.12 0.00 0.00 175.29 174.08 2eed s TYR 68 N 0.30 3.09 -0.21 0.91 1.51 -1.12 -2.49 117.35 119.34 2eed s TYR 68 Ca -0.13 -1.50 -0.22 0.00 -1.01 0.00 0.00 57.07 54.21 2eed s TYR 68 Cb -0.16 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 2eed s TYR 68 CO 0.06 -0.71 0.68 1.21 -1.11 0.00 0.00 175.55 175.67 2eed s ASN 69 N 1.34 6.72 -0.04 2.29 3.04 0.15 -2.29 114.94 126.15 2eed s ASN 69 Ca 0.00 0.88 0.02 0.00 0.04 0.00 0.00 52.86 53.80 2eed s ASN 69 Cb -0.17 -2.37 0.01 0.00 -1.54 0.00 0.00 41.25 37.18 2eed s ASN 69 CO -0.03 -0.33 -0.09 -0.69 -3.04 0.00 0.00 177.10 172.92 2eed s VAL 70 N 2.12 0.81 0.04 -5.21 1.01 -0.96 -0.48 120.40 117.74 2eed s VAL 70 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2eed s VAL 70 Cb -0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2eed s VAL 70 CO 0.10 0.27 -0.05 -0.89 0.00 0.00 0.00 175.10 174.53 2eed s THR 71 N 0.52 0.34 0.31 3.92 2.01 -0.56 -0.94 115.64 121.23 2eed s THR 71 Ca -0.09 -1.18 -0.07 0.00 0.31 0.00 0.00 61.69 60.66 2eed s THR 71 Cb -0.12 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2eed s THR 71 CO 0.01 -0.55 0.48 -0.72 -0.69 0.00 0.00 174.62 173.15 2eed s TYR 72 N -1.94 0.78 -0.16 4.92 -0.85 -0.74 -1.10 117.35 118.26 2eed s TYR 72 Ca -0.08 -1.08 -0.04 0.00 -0.52 0.00 0.00 57.07 55.34 2eed s TYR 72 Cb -0.06 0.04 0.06 0.00 0.38 0.00 0.00 41.96 42.38 2eed s TYR 72 CO -0.02 -1.09 0.08 0.08 -1.52 0.00 0.00 175.55 173.08 2eed s VAL 73 N -3.38 -0.01 -0.18 -3.49 1.01 -1.25 -2.42 120.40 110.69 2eed s VAL 73 Ca 0.27 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2eed s VAL 73 Cb -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2eed s VAL 73 CO 0.15 -0.24 0.62 0.68 0.00 0.00 0.00 175.10 176.32 2eed s VAL 74 N 2.10 5.04 -1.72 2.92 -7.23 -1.26 -1.69 120.40 118.55 2eed s VAL 74 Ca 0.02 1.19 0.18 0.00 -1.81 0.00 0.00 61.98 61.56 2eed s VAL 74 Cb -0.16 -3.94 0.59 0.00 0.56 0.00 0.00 36.38 33.43 2eed s VAL 74 CO -0.08 0.14 1.49 0.29 -0.31 0.00 0.00 175.10 176.63 2eed n LYS 75 N 4.79 2.79 -4.02 4.82 4.76 -1.26 -2.14 118.16 127.91 2eed n LYS 75 Ca -0.02 -2.37 -0.11 0.00 -2.87 0.00 0.00 58.31 52.94 2eed n LYS 75 Cb 0.50 -1.61 -0.11 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.38 0.42 0.27 1.97 2.12 -1.26 -4.95 118.70 115.89 2eed s GLU 76 Ca 0.43 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 55.17 2eed s GLU 76 Cb 0.24 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 2eed s GLU 76 CO 0.26 0.00 0.17 -0.98 -0.54 0.00 0.00 175.26 174.18 2eed s ARG 77 N -1.49 2.74 0.00 4.30 1.70 -1.26 -4.78 118.95 120.17 2eed s ARG 77 Ca -0.12 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 53.95 2eed s ARG 77 Cb -0.10 -2.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 2eed s ARG 77 CO -0.00 0.33 0.00 0.41 -1.08 0.00 0.00 175.30 174.96 2eed n GLY 78 N -1.16 0.16 3.69 3.88 0.00 -0.82 -4.95 105.19 105.99 2eed n GLY 78 Ca -0.06 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 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 6.40 0.09 1.61 -4.77 -1.26 -0.76 116.67 113.99 2eed s ASP 79 Ca 0.00 0.47 0.10 0.00 -3.30 0.00 0.00 52.55 49.82 2eed s ASP 79 Cb 0.00 -2.20 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 2eed s ASP 79 CO 0.00 -0.00 -0.24 -0.31 0.70 0.00 0.00 175.17 175.32 2eed s TYR 80 N 0.99 2.39 -0.30 2.11 1.51 0.20 -5.00 117.35 119.25 2eed s TYR 80 Ca 0.17 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2eed s TYR 80 Cb -0.14 -1.33 0.08 0.00 -0.11 0.00 0.00 41.96 40.46 2eed s TYR 80 CO 0.06 0.28 -0.03 0.08 -1.11 0.00 0.00 175.55 174.84 2eed s VAL 81 N -0.99 2.13 -0.38 0.71 1.01 -1.26 -1.89 120.40 119.72 2eed s VAL 81 Ca 0.14 -1.93 -0.23 0.00 0.00 0.00 0.00 61.98 59.97 2eed s VAL 81 Cb -0.10 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2eed s VAL 81 CO 0.06 -0.32 0.76 -0.22 0.00 0.00 0.00 175.10 175.38 2eed s LEU 82 N 1.05 4.18 -0.42 3.92 2.96 -1.18 -4.13 118.68 125.06 2eed s LEU 82 Ca 0.01 0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.01 2eed s LEU 82 Cb -0.19 -2.97 0.05 0.00 0.50 0.00 0.00 46.19 43.58 2eed s LEU 82 CO -0.07 -0.76 0.28 0.00 -1.32 0.00 0.00 176.35 174.48 2eed s ALA 83 N 3.09 3.37 -0.27 5.97 0.00 -1.26 -2.28 121.76 130.36 2eed s ALA 83 Ca 0.30 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 2eed s ALA 83 Cb -0.13 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.27 2eed s ALA 83 CO 0.18 -1.57 -0.03 0.08 0.00 0.00 0.00 175.76 174.42 2eed s VAL 84 N 1.54 2.89 0.14 0.00 1.01 -1.26 -2.01 120.40 122.71 2eed s VAL 84 Ca 0.03 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.81 2eed s VAL 84 Cb -0.22 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2eed s VAL 84 CO 0.05 0.03 0.16 -0.54 0.00 0.00 0.00 175.10 174.81 2eed s LYS 85 N 1.28 3.05 -0.34 2.72 1.02 -1.22 -2.41 119.74 123.84 2eed s LYS 85 Ca -0.03 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 2eed s LYS 85 Cb -0.18 -2.76 0.11 0.00 -0.52 0.00 0.00 37.83 34.48 2eed s LYS 85 CO -0.03 0.52 0.14 -0.46 -0.92 0.00 0.00 175.35 174.60 2eed s TRP 86 N -1.66 1.45 -0.81 3.18 -0.11 -0.38 -3.49 118.94 117.11 2eed s TRP 86 Ca 0.32 -1.74 -0.02 0.00 1.22 0.00 0.00 56.10 55.88 2eed s TRP 86 Cb -0.11 -1.54 -0.00 0.00 -1.50 0.00 0.00 33.47 30.32 2eed s TRP 86 CO 0.24 -0.85 0.68 0.41 -4.62 0.00 0.00 176.95 172.82 2eed n GLY 87 N 4.55 -1.24 3.53 5.86 0.00 -1.20 -3.01 105.19 113.68 2eed n GLY 87 Ca 0.01 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.31 -7.10 -3.90 1.61 1.02 -1.26 -4.99 120.64 103.71 2eed n GLU 88 Ca -0.12 0.82 -0.10 0.00 -0.02 0.00 0.00 57.16 57.75 2eed n GLU 88 Cb 0.58 -5.84 -0.00 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 -5.83 2.04 -0.20 3.49 2.02 -1.16 -5.12 118.70 113.93 2eed s GLU 89 Ca 0.27 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.81 2eed s GLU 89 Cb -0.12 0.57 0.06 0.00 0.10 0.00 0.00 34.13 34.73 2eed s GLU 89 CO 0.74 -0.92 -0.01 -1.01 0.02 0.00 0.00 175.26 174.07 2eed s HIS 90 N -2.86 1.66 0.52 1.61 3.76 -1.26 -1.25 115.29 117.48 2eed s HIS 90 Ca 0.19 -1.23 -0.18 0.00 -0.15 0.00 0.00 55.06 53.69 2eed s HIS 90 Cb -0.04 -1.28 -0.12 0.00 1.11 0.00 0.00 32.58 32.24 2eed s HIS 90 CO 0.13 -0.67 0.15 0.44 -0.85 0.00 0.00 174.74 173.94 2eed n ILE 91 N 4.88 0.93 -2.04 0.60 -5.35 -1.01 -4.75 119.36 112.61 2eed n ILE 91 Ca -0.11 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.57 2eed n ILE 91 Cb 0.46 -0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 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 -1.43 2.57 0.00 6.28 0.04 -1.26 -2.58 135.00 138.62 2eed s PRO 92 Ca 0.62 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2eed s PRO 92 Cb -0.48 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2eed s PRO 92 CO 0.61 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.87 2eed n GLY 93 N 6.51 0.42 3.93 0.56 0.00 -1.26 -5.01 105.19 110.34 2eed n GLY 93 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 2eed n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eed s SER 94 N 0.00 6.36 0.07 1.61 0.15 -1.07 -2.97 113.70 117.86 2eed s SER 94 Ca 0.00 0.26 -0.31 0.00 0.70 0.00 0.00 55.95 56.60 2eed s SER 94 Cb 0.00 -1.95 -0.07 0.00 -1.71 0.00 0.00 66.02 62.29 2eed s SER 94 CO 0.00 0.12 1.39 -2.16 1.20 0.00 0.00 173.24 173.79 2eed s PRO 95 N -2.78 4.31 0.56 5.44 0.04 -1.26 -4.92 135.00 136.39 2eed s PRO 95 Ca 0.35 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 2eed s PRO 95 Cb -0.12 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2eed s PRO 95 CO 0.28 -0.48 1.07 -0.06 0.04 0.00 0.00 177.00 177.85 2eed s PHE 96 N 1.56 2.91 -0.65 0.56 0.08 -0.97 -4.86 117.98 116.61 2eed s PHE 96 Ca 0.64 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 59.06 2eed s PHE 96 Cb -0.35 -3.08 0.13 0.00 -0.57 0.00 0.00 43.02 39.15 2eed s PHE 96 CO 0.29 -1.15 0.71 -1.58 -0.10 0.00 0.00 175.22 173.39 2eed s HIS 97 N -2.20 3.20 -0.38 0.36 5.65 -1.26 -3.09 115.29 117.58 2eed s HIS 97 Ca 0.66 -1.26 -0.13 0.00 0.25 0.00 0.00 55.06 54.58 2eed s HIS 97 Cb -0.18 -3.96 0.01 0.00 -1.18 0.00 0.00 32.58 27.27 2eed s HIS 97 CO 0.31 -1.20 0.26 0.08 -0.65 0.00 0.00 174.74 173.54 2eed s VAL 98 N 1.99 5.15 -0.21 0.89 1.01 -0.79 -4.70 120.40 123.73 2eed s VAL 98 Ca 0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2eed s VAL 98 Cb -0.21 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2eed s VAL 98 CO 0.01 -0.17 0.08 -0.89 0.00 0.00 0.00 175.10 174.14 2eed s THR 99 N 1.68 4.80 -0.22 3.92 2.01 -1.25 0.59 115.64 127.16 2eed s THR 99 Ca 0.05 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 2eed s THR 99 Cb -0.18 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 2eed s THR 99 CO 0.10 0.41 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 2eed s VAL 100 N 0.78 4.00 -2.00 3.82 1.01 0.06 -3.43 120.40 124.64 2eed s VAL 100 Ca 0.04 -0.29 0.16 0.00 0.00 0.00 0.00 61.98 61.89 2eed s VAL 100 Cb -0.13 -2.84 0.45 0.00 0.00 0.00 0.00 36.38 33.86 2eed s VAL 100 CO 0.02 0.39 1.35 -0.81 0.00 0.00 0.00 175.10 176.05