#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc s SER 2 N 0.00 -0.07 0.49 1.61 0.15 -1.26 -5.16 113.70 109.47 2dnc s SER 2 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dnc s SER 2 Cb 0.00 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2dnc s SER 2 CO 0.00 -0.10 0.00 -1.20 1.20 0.00 0.00 173.24 173.14 2dnc n SER 3 N 0.12 -8.64 -1.86 5.45 7.64 -1.26 -4.99 113.62 110.07 2dnc n SER 3 Ca 0.02 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 60.94 2dnc n SER 3 Cb 0.57 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 2dnc n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnc n GLY 4 N -4.30 -0.61 3.09 0.23 0.00 -1.26 -5.02 105.19 97.32 2dnc n GLY 4 Ca -0.04 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2dnc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 5 N -2.01 5.17 0.31 1.61 0.15 -1.26 -5.04 113.70 112.63 2dnc s SER 5 Ca 0.02 -2.56 -0.09 0.00 0.70 0.00 0.00 55.95 54.02 2dnc s SER 5 Cb -0.00 -1.83 0.01 0.00 -1.71 0.00 0.00 66.02 62.49 2dnc s SER 5 CO 0.18 -0.42 0.54 -0.55 1.20 0.00 0.00 173.24 174.19 2dnc s SER 6 N 1.03 0.33 0.00 5.45 0.15 -1.26 -5.16 113.70 114.25 2dnc s SER 6 Ca 0.14 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2dnc s SER 6 Cb -0.22 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2dnc s SER 6 CO -0.04 -1.31 0.00 0.61 1.20 0.00 0.00 173.24 173.70 2dnc n GLY 7 N -0.48 -0.84 3.32 9.45 0.00 -1.26 -4.95 105.19 110.42 2dnc n GLY 7 Ca -0.02 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 2dnc n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dnc s ILE 8 N -0.52 4.37 -0.12 -0.61 1.01 -0.45 -4.96 121.20 119.92 2dnc s ILE 8 Ca 0.00 -1.14 -0.27 0.00 0.00 0.00 0.00 60.65 59.25 2dnc s ILE 8 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2dnc s ILE 8 CO 0.00 -0.36 0.88 -1.59 0.00 0.00 0.00 174.94 173.87 2dnc s LYS 9 N 1.48 4.38 -0.51 2.79 -2.85 -1.26 -0.02 119.74 123.76 2dnc s LYS 9 Ca 0.02 1.15 -0.22 0.00 -1.00 0.00 0.00 55.97 55.92 2dnc s LYS 9 Cb -0.21 -3.54 0.04 0.00 -2.06 0.00 0.00 37.83 32.06 2dnc s LYS 9 CO 0.04 -0.25 0.79 0.42 0.10 0.00 0.00 175.35 176.45 2dnc s ILE 10 N 1.83 4.63 -0.10 3.79 1.01 0.99 -4.99 121.20 128.35 2dnc s ILE 10 Ca 0.43 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 2dnc s ILE 10 Cb -0.18 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 2dnc s ILE 10 CO 0.16 -0.90 0.14 -0.76 0.00 0.00 0.00 174.94 173.59 2dnc s LEU 11 N 3.32 4.37 -0.47 2.97 1.43 -1.26 -0.96 118.68 128.08 2dnc s LEU 11 Ca 0.25 0.44 -0.33 0.00 -1.03 0.00 0.00 54.13 53.46 2dnc s LEU 11 Cb -0.15 -2.16 -0.12 0.00 0.03 0.00 0.00 46.19 43.80 2dnc s LEU 11 CO 0.18 0.38 2.31 0.80 0.23 0.00 0.00 176.35 180.25 2dnc n MET 12 N 1.80 0.91 -2.03 1.70 0.00 -0.56 -4.80 117.12 114.14 2dnc n MET 12 Ca -0.18 0.19 -0.32 0.00 -0.00 0.00 0.00 57.70 57.38 2dnc n MET 12 Cb 0.55 -2.51 0.01 0.00 0.00 0.00 0.00 33.22 31.26 2dnc n MET 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2dnc s PRO 13 N 7.05 3.35 -0.99 2.12 0.04 -1.26 -3.27 135.00 142.03 2dnc s PRO 13 Ca 1.11 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 2dnc s PRO 13 Cb -0.78 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.60 2dnc s PRO 13 CO 0.44 -0.78 2.76 0.43 0.04 0.00 0.00 177.00 179.89 2dnc n SER 14 N -2.11 6.50 -0.51 6.66 7.64 -1.26 -4.62 113.62 125.91 2dnc n SER 14 Ca 0.08 -2.43 0.42 0.00 1.01 0.00 0.00 58.87 57.96 2dnc n SER 14 Cb 0.53 -1.32 0.71 0.00 -1.01 0.00 0.00 64.21 63.11 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dnc h LEU 15 N 6.88 0.16 -8.66 -3.43 3.38 -1.97 -3.38 115.31 108.30 2dnc h LEU 15 Ca 0.58 0.11 -0.49 0.00 0.09 0.00 0.00 57.88 58.17 2dnc h LEU 15 Cb 0.51 0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.18 2dnc h LEU 15 CO 1.28 -0.18 -0.79 -0.44 0.09 0.00 0.00 178.44 178.40 2dnc s SER 16 N -4.27 2.31 0.16 -0.43 0.01 -1.26 -5.11 113.70 105.11 2dnc s SER 16 Ca -0.07 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.13 2dnc s SER 16 Cb 0.30 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 2dnc s SER 16 CO 0.84 -0.04 1.13 -2.16 0.41 0.00 0.00 173.24 173.41 2dnc s PRO 17 N -2.35 4.56 -1.41 12.44 0.04 -1.26 -2.87 135.00 144.15 2dnc s PRO 17 Ca 0.09 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2dnc s PRO 17 Cb -0.07 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2dnc s PRO 17 CO 0.04 0.01 0.00 0.25 0.04 0.00 0.00 177.00 177.34 2dnc n THR 18 N 2.57 -0.34 -2.49 1.26 -2.24 -1.26 -4.94 114.28 106.84 2dnc n THR 18 Ca 0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 2dnc n THR 18 Cb 0.46 -1.89 -0.02 0.00 -2.10 0.00 0.00 70.33 66.78 2dnc n THR 18 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2dnc s MET 19 N -3.97 3.88 0.15 -0.78 0.00 -1.14 -4.88 119.30 112.56 2dnc s MET 19 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 55.69 56.78 2dnc s MET 19 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 34.83 30.91 2dnc s MET 19 CO 0.00 -1.16 1.35 0.93 0.00 0.00 0.00 175.02 176.14 2dnc h GLU 20 N 9.16 0.16 0.00 4.11 5.08 -1.92 -3.44 114.58 127.73 2dnc h GLU 20 Ca -0.24 -0.19 0.19 0.00 -1.00 0.00 0.00 59.36 58.12 2dnc h GLU 20 Cb 1.08 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2dnc h GLU 20 CO 1.06 0.97 0.58 -0.85 -1.00 0.00 0.00 179.01 179.76 2dnc n GLU 21 N -3.60 0.33 -1.02 2.33 0.28 -1.26 -3.62 120.64 114.08 2dnc n GLU 21 Ca -0.03 -0.89 0.00 0.00 -0.16 0.00 0.00 57.16 56.08 2dnc n GLU 21 Cb 0.84 1.29 0.00 0.00 1.43 0.00 0.00 31.44 35.00 2dnc n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnc n GLY 22 N -0.64 3.51 2.83 -1.84 0.00 -1.03 -4.81 105.19 103.21 2dnc n GLY 22 Ca 0.01 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 2dnc n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dnc s ASN 23 N -0.16 0.85 -0.42 1.61 0.01 -1.20 -1.05 114.94 114.58 2dnc s ASN 23 Ca 0.00 -0.04 -0.27 0.00 -0.71 0.00 0.00 52.86 51.84 2dnc s ASN 23 Cb 0.00 0.74 -0.05 0.00 0.41 0.00 0.00 41.25 42.35 2dnc s ASN 23 CO 0.00 -0.32 2.16 -0.63 -1.51 0.00 0.00 177.10 176.80 2dnc s ILE 24 N 2.43 3.15 0.04 0.60 1.09 -0.51 -0.85 121.20 127.15 2dnc s ILE 24 Ca 0.10 0.12 -0.25 0.00 -1.10 0.00 0.00 60.65 59.51 2dnc s ILE 24 Cb -0.15 -3.29 -0.14 0.00 -1.06 0.00 0.00 42.46 37.82 2dnc s ILE 24 CO -0.15 -0.24 1.35 0.58 -0.10 0.00 0.00 174.94 176.38 2dnc h VAL 25 N 7.27 0.00 -2.90 2.92 2.07 0.20 -0.71 116.25 125.10 2dnc h VAL 25 Ca -0.30 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2dnc h VAL 25 Cb 1.22 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.83 2dnc h VAL 25 CO 1.10 0.00 -0.04 -0.75 0.02 0.00 0.00 177.57 177.90 2dnc s LYS 26 N -4.96 0.97 -0.23 1.57 2.20 -1.24 -3.81 119.74 114.23 2dnc s LYS 26 Ca -0.13 -0.29 -0.20 0.00 -0.36 0.00 0.00 55.97 54.99 2dnc s LYS 26 Cb 0.01 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 2dnc s LYS 26 CO 0.40 -0.34 0.60 -1.58 -0.36 0.00 0.00 175.35 174.08 2dnc s TRP 27 N -2.40 3.32 -0.96 4.03 0.52 -1.26 -1.64 118.94 120.54 2dnc s TRP 27 Ca -0.06 0.83 0.28 0.00 0.02 0.00 0.00 56.10 57.17 2dnc s TRP 27 Cb -0.01 -2.79 1.04 0.00 -1.15 0.00 0.00 33.47 30.55 2dnc s TRP 27 CO -0.02 -0.25 1.80 1.28 0.02 0.00 0.00 176.95 179.79 2dnc n LEU 28 N 5.38 0.20 -4.36 2.99 4.77 0.30 -4.81 117.00 121.47 2dnc n LEU 28 Ca -0.02 0.41 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 2dnc n LEU 28 Cb 0.49 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2dnc n LEU 28 CO 0.43 0.00 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.48 2dnc s LYS 29 N -3.02 1.35 0.37 3.23 -0.14 -0.86 -4.97 119.74 115.70 2dnc s LYS 29 Ca 0.13 -1.51 0.08 0.00 -1.36 0.00 0.00 55.97 53.31 2dnc s LYS 29 Cb 0.18 -1.35 -0.05 0.00 -1.68 0.00 0.00 37.83 34.93 2dnc s LYS 29 CO 0.57 0.26 0.15 0.15 -0.76 0.00 0.00 175.35 175.72 2dnc s LYS 30 N -3.11 2.29 -0.03 1.68 -0.14 -1.26 -5.05 119.74 114.11 2dnc s LYS 30 Ca 0.19 -1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 52.83 2dnc s LYS 30 Cb -0.04 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.98 2dnc s LYS 30 CO 0.08 0.02 1.30 -1.21 -0.76 0.00 0.00 175.35 174.78 2dnc s GLU 31 N -3.86 4.31 0.00 1.68 2.02 -1.26 -2.36 118.70 119.23 2dnc s GLU 31 Ca 0.39 1.82 0.00 0.00 0.02 0.00 0.00 54.97 57.20 2dnc s GLU 31 Cb 0.00 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.65 2dnc s GLU 31 CO 0.22 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2dnc n GLY 32 N 3.52 0.42 3.92 -1.39 0.00 0.13 -5.02 105.19 106.77 2dnc n GLY 32 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2dnc n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 33 N -0.98 2.73 0.51 1.61 0.41 -1.00 -4.73 118.70 117.25 2dnc s GLU 33 Ca 0.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 54.97 54.41 2dnc s GLU 33 Cb 0.00 -2.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2dnc s GLU 33 CO 0.00 -0.83 0.79 0.00 -0.49 0.00 0.00 175.26 174.73 2dnc s ALA 34 N -3.04 3.47 -0.02 5.21 0.00 -1.26 0.12 121.76 126.24 2dnc s ALA 34 Ca 0.55 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 2dnc s ALA 34 Cb -0.11 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2dnc s ALA 34 CO 0.45 -0.53 0.07 0.08 0.00 0.00 0.00 175.76 175.82 2dnc s VAL 35 N -2.78 0.03 -0.06 0.00 1.01 0.49 -4.73 120.40 114.36 2dnc s VAL 35 Ca 0.50 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2dnc s VAL 35 Cb -0.10 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2dnc s VAL 35 CO 0.43 -0.14 -0.10 -0.44 0.00 0.00 0.00 175.10 174.85 2dnc s SER 36 N -0.42 1.58 0.12 3.32 0.01 -1.26 -1.08 113.70 115.98 2dnc s SER 36 Ca -0.05 -0.26 -0.35 0.00 1.31 0.00 0.00 55.95 56.61 2dnc s SER 36 Cb -0.03 -0.73 -0.17 0.00 0.21 0.00 0.00 66.02 65.30 2dnc s SER 36 CO 0.00 0.01 1.09 0.00 0.41 0.00 0.00 173.24 174.74 2dnc n ALA 37 N 3.92 -1.80 -2.18 1.44 0.00 -1.23 -1.38 120.51 119.28 2dnc n ALA 37 Ca -0.23 0.50 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2dnc n ALA 37 Cb 0.51 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2dnc n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dnc n GLY 38 N 1.96 0.53 3.26 0.00 0.00 0.37 -4.90 105.19 106.40 2dnc n GLY 38 Ca 0.17 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2dnc n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnc s ASP 39 N -2.98 2.64 -0.20 1.61 1.11 -0.48 -4.85 116.67 113.53 2dnc s ASP 39 Ca 0.01 -0.43 -0.29 0.00 0.18 0.00 0.00 52.55 52.01 2dnc s ASP 39 Cb -0.00 -0.28 -0.03 0.00 1.07 0.00 0.00 42.92 43.67 2dnc s ASP 39 CO 0.01 0.26 1.71 0.00 1.18 0.00 0.00 175.17 178.33 2dnc s ALA 40 N -0.58 3.24 -0.21 5.23 0.00 -1.26 -1.78 121.76 126.41 2dnc s ALA 40 Ca 0.09 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 2dnc s ALA 40 Cb -0.09 -3.87 -0.18 0.00 0.00 0.00 0.00 23.12 18.98 2dnc s ALA 40 CO -0.00 -2.00 0.18 1.28 0.00 0.00 0.00 175.76 175.22 2dnc n LEU 41 N 8.70 1.86 -3.90 0.00 4.77 0.24 -4.67 117.00 124.00 2dnc n LEU 41 Ca 0.20 0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 56.53 2dnc n LEU 41 Cb 0.45 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 2dnc n LEU 41 CO 0.65 0.25 0.38 0.00 -1.33 0.00 0.00 177.39 177.34 2dnc s GLU 43 N -3.76 3.42 -0.05 0.00 2.02 -0.65 0.12 118.70 119.80 2dnc s GLU 43 Ca 0.16 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 2dnc s GLU 43 Cb -0.04 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2dnc s GLU 43 CO 0.09 -0.35 0.13 0.42 0.02 0.00 0.00 175.26 175.57 2dnc s ILE 44 N 1.60 5.21 -0.00 -1.63 1.01 -0.04 0.20 121.20 127.56 2dnc s ILE 44 Ca 0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 2dnc s ILE 44 Cb -0.16 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 2dnc s ILE 44 CO 0.05 0.46 0.50 -1.61 0.00 0.00 0.00 174.94 174.34 2dnc s GLU 45 N -1.49 4.15 -0.03 2.79 2.02 -0.03 -2.11 118.70 124.01 2dnc s GLU 45 Ca 0.21 0.56 -0.06 0.00 0.02 0.00 0.00 54.97 55.70 2dnc s GLU 45 Cb -0.12 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.83 2dnc s GLU 45 CO 0.11 0.51 0.15 0.95 0.02 0.00 0.00 175.26 177.00 2dnc s THR 46 N -0.58 0.04 0.28 3.63 -4.23 -1.08 -3.26 115.64 110.44 2dnc s THR 46 Ca 0.27 -0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 2dnc s THR 46 Cb -0.17 -0.33 0.34 0.00 1.34 0.00 0.00 72.50 73.68 2dnc s THR 46 CO 0.15 -0.18 1.61 -2.24 -0.54 0.00 0.00 174.62 173.42 2dnc h ASP 47 N 5.14 -0.29 -0.00 3.99 2.03 -1.98 -0.91 116.42 124.39 2dnc h ASP 47 Ca -0.28 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2dnc h ASP 47 Cb 1.20 0.37 -0.00 0.00 -0.83 0.00 0.00 39.33 40.07 2dnc h ASP 47 CO 0.41 -0.24 -0.04 0.11 -1.03 0.00 0.00 179.24 178.45 2dnc h LYS 48 N 0.10 -0.04 0.00 4.15 1.79 -1.99 -3.48 116.57 117.09 2dnc h LYS 48 Ca 0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2dnc h LYS 48 Cb 1.03 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2dnc h LYS 48 CO -0.76 -0.03 0.00 0.00 -1.08 0.00 0.00 179.45 177.58 2dnc n ALA 49 N -2.57 0.00 -2.59 3.86 0.00 -0.35 -5.10 120.51 113.76 2dnc n ALA 49 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2dnc n ALA 49 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 2dnc n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnc s VAL 50 N -2.48 4.11 0.38 0.00 0.11 -1.26 -2.64 120.40 118.63 2dnc s VAL 50 Ca 0.00 0.85 0.08 0.00 -2.93 0.00 0.00 61.98 59.97 2dnc s VAL 50 Cb 0.00 -4.67 -0.03 0.00 -1.53 0.00 0.00 36.38 30.15 2dnc s VAL 50 CO 0.00 -1.25 0.33 0.68 -3.33 0.00 0.00 175.10 171.53 2dnc s VAL 51 N 4.70 3.00 0.08 2.04 -7.23 -0.90 -5.01 120.40 117.08 2dnc s VAL 51 Ca 0.41 -1.38 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 2dnc s VAL 51 Cb -0.08 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 2dnc s VAL 51 CO 0.25 -0.08 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.86 2dnc s THR 52 N -2.41 1.77 -0.21 5.32 2.01 -1.26 -0.86 115.64 120.00 2dnc s THR 52 Ca 0.45 -1.43 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 2dnc s THR 52 Cb -0.04 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2dnc s THR 52 CO 0.27 0.08 0.78 -0.22 -0.69 0.00 0.00 174.62 174.83 2dnc s LEU 53 N -1.62 4.12 0.05 4.42 0.20 0.33 -4.84 118.68 121.34 2dnc s LEU 53 Ca 0.08 1.01 -0.00 0.00 0.69 0.00 0.00 54.13 55.91 2dnc s LEU 53 Cb -0.10 -3.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.50 2dnc s LEU 53 CO 0.03 -0.43 0.20 -1.81 -0.29 0.00 0.00 176.35 174.06 2dnc s ASP 54 N 1.27 6.34 0.31 3.68 1.01 -1.26 0.83 116.67 128.85 2dnc s ASP 54 Ca 0.34 0.27 -0.24 0.00 0.71 0.00 0.00 52.55 53.64 2dnc s ASP 54 Cb -0.16 -1.95 -0.10 0.00 1.01 0.00 0.00 42.92 41.72 2dnc s ASP 54 CO 0.09 0.18 0.89 0.00 0.21 0.00 0.00 175.17 176.55 2dnc s ALA 55 N -1.48 3.24 -0.19 5.23 0.00 -0.73 -4.86 121.76 122.96 2dnc s ALA 55 Ca 0.34 0.41 0.22 0.00 0.00 0.00 0.00 51.96 52.93 2dnc s ALA 55 Cb -0.13 -3.09 -0.32 0.00 0.00 0.00 0.00 23.12 19.59 2dnc s ALA 55 CO 0.26 0.21 0.55 0.45 0.00 0.00 0.00 175.76 177.24 2dnc n SER 56 N 0.42 0.17 -3.90 0.00 2.88 -1.26 -0.48 113.62 111.45 2dnc n SER 56 Ca 0.02 -0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.30 2dnc n SER 56 Cb 0.51 1.83 -0.07 0.00 -0.75 0.00 0.00 64.21 65.73 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dnc s ASP 57 N -4.27 0.03 -0.15 -3.46 1.01 -1.26 -4.81 116.67 103.76 2dnc s ASP 57 Ca -0.05 -0.75 -0.15 0.00 0.71 0.00 0.00 52.55 52.31 2dnc s ASP 57 Cb 0.14 0.42 -0.05 0.00 1.01 0.00 0.00 42.92 44.45 2dnc s ASP 57 CO 0.90 -0.86 0.33 1.51 0.21 0.00 0.00 175.17 177.27 2dnc s ASP 58 N -2.92 6.49 0.08 0.27 -4.77 -1.26 -3.52 116.67 111.04 2dnc s ASP 58 Ca 0.12 0.58 -0.25 0.00 -3.30 0.00 0.00 52.55 49.70 2dnc s ASP 58 Cb 0.03 -2.21 0.09 0.00 -1.09 0.00 0.00 42.92 39.74 2dnc s ASP 58 CO -0.04 0.08 1.17 0.61 0.70 0.00 0.00 175.17 177.70 2dnc n GLY 59 N 3.33 0.39 3.80 2.12 0.00 -0.24 -4.76 105.19 109.83 2dnc n GLY 59 Ca -0.11 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 2dnc n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dnc s ILE 60 N -2.03 5.35 -0.89 -0.61 -1.09 -0.05 0.19 121.20 122.05 2dnc s ILE 60 Ca 0.27 0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 58.86 2dnc s ILE 60 Cb -0.02 -3.54 -0.08 0.00 -1.58 0.00 0.00 42.46 37.24 2dnc s ILE 60 CO 0.02 0.51 2.09 -0.22 -1.23 0.00 0.00 174.94 176.12 2dnc s LEU 61 N -0.36 3.03 0.04 2.97 0.20 0.31 -0.42 118.68 124.46 2dnc s LEU 61 Ca 0.16 -0.53 -0.13 0.00 0.69 0.00 0.00 54.13 54.31 2dnc s LEU 61 Cb -0.13 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 43.02 2dnc s LEU 61 CO 0.05 -3.20 1.21 0.00 -0.29 0.00 0.00 176.35 174.12 2dnc h ALA 62 N 11.62 -0.71 -2.82 5.97 0.00 0.10 0.37 119.26 133.80 2dnc h ALA 62 Ca 0.07 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 2dnc h ALA 62 Cb 1.00 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.32 2dnc h ALA 62 CO 1.14 -0.76 -0.29 -1.59 0.00 0.00 0.00 179.25 177.76 2dnc s LYS 63 N -4.04 1.62 -0.64 0.00 -2.85 -0.91 -4.26 119.74 108.66 2dnc s LYS 63 Ca -0.06 -1.58 0.05 0.00 -1.00 0.00 0.00 55.97 53.37 2dnc s LYS 63 Cb 0.02 0.40 0.16 0.00 -2.06 0.00 0.00 37.83 36.36 2dnc s LYS 63 CO 0.23 -0.64 0.43 0.42 0.10 0.00 0.00 175.35 175.89 2dnc s ILE 64 N -3.64 2.62 0.15 3.79 1.01 -1.26 -1.17 121.20 122.69 2dnc s ILE 64 Ca 0.31 -3.93 -0.29 0.00 0.00 0.00 0.00 60.65 56.74 2dnc s ILE 64 Cb 0.01 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 2dnc s ILE 64 CO 0.15 -0.98 1.45 0.52 0.00 0.00 0.00 174.94 176.09 2dnc n VAL 65 N 2.31 -0.63 -3.77 2.92 0.31 0.14 -3.84 118.33 115.77 2dnc n VAL 65 Ca 0.17 2.28 -0.37 0.00 -0.01 0.00 0.00 64.34 66.42 2dnc n VAL 65 Cb 0.35 -2.83 -0.13 0.00 -0.91 0.00 0.00 33.84 30.33 2dnc n VAL 65 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dnc s VAL 66 N -5.40 4.14 0.83 2.52 1.01 0.34 -4.97 120.40 118.89 2dnc s VAL 66 Ca -0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 2dnc s VAL 66 Cb 0.10 -2.98 0.19 0.00 0.00 0.00 0.00 36.38 33.69 2dnc s VAL 66 CO 0.57 0.29 1.14 -0.62 0.00 0.00 0.00 175.10 176.48 2dnc n GLU 67 N 4.90 -1.04 -2.56 2.72 -0.58 -1.25 -4.79 120.64 118.04 2dnc n GLU 67 Ca -0.16 -1.84 -0.37 0.00 -0.42 0.00 0.00 57.16 54.37 2dnc n GLU 67 Cb 0.51 -1.14 -0.04 0.00 -0.57 0.00 0.00 31.44 30.19 2dnc n GLU 67 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dnc s GLU 68 N -5.47 4.26 0.00 3.49 -1.05 -1.26 -3.57 118.70 115.10 2dnc s GLU 68 Ca 0.65 1.53 0.00 0.00 -0.15 0.00 0.00 54.97 57.00 2dnc s GLU 68 Cb -0.02 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 2dnc s GLU 68 CO 0.45 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 177.02 2dnc n GLY 69 N 0.47 0.49 3.67 -3.83 0.00 -0.27 -5.01 105.19 100.71 2dnc n GLY 69 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2dnc n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 70 N -2.33 6.91 0.53 1.61 0.01 -1.23 -4.95 113.70 114.25 2dnc s SER 70 Ca 0.00 1.12 0.06 0.00 1.31 0.00 0.00 55.95 58.44 2dnc s SER 70 Cb 0.00 -2.44 0.06 0.00 0.21 0.00 0.00 66.02 63.86 2dnc s SER 70 CO 0.00 -0.37 0.53 0.29 0.41 0.00 0.00 173.24 174.10 2dnc n LYS 71 N 5.14 0.69 -3.68 12.44 5.02 -1.26 -1.43 118.16 135.08 2dnc n LYS 71 Ca 0.03 -3.11 -0.27 0.00 -2.02 0.00 0.00 58.31 52.95 2dnc n LYS 71 Cb 0.49 0.12 0.01 0.00 -0.02 0.00 0.00 35.03 35.63 2dnc n LYS 71 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dnc n ASN 72 N -2.05 -5.19 -4.12 4.39 4.13 -0.57 -4.89 115.26 106.96 2dnc n ASN 72 Ca 0.05 -0.71 -0.38 0.00 1.68 0.00 0.00 54.58 55.23 2dnc n ASN 72 Cb 0.58 -1.89 -0.08 0.00 -1.54 0.00 0.00 39.78 36.85 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dnc s ILE 73 N -2.61 4.01 0.87 2.41 -1.09 -0.21 -4.86 121.20 119.72 2dnc s ILE 73 Ca 0.10 -3.01 -0.13 0.00 -2.23 0.00 0.00 60.65 55.38 2dnc s ILE 73 Cb -0.01 -3.58 0.08 0.00 -1.58 0.00 0.00 42.46 37.37 2dnc s ILE 73 CO 0.88 -0.92 0.90 -2.11 -1.23 0.00 0.00 174.94 172.47 2dnc n ARG 74 N 3.40 -0.11 -0.98 2.79 0.00 -1.26 -2.46 116.66 118.05 2dnc n ARG 74 Ca 0.10 0.03 -0.31 0.00 -0.00 0.00 0.00 57.85 57.67 2dnc n ARG 74 Cb 0.39 -2.20 0.13 0.00 -0.00 0.00 0.00 32.46 30.78 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dnc s LEU 75 N -4.11 2.96 -1.01 2.89 1.43 -1.24 -3.70 118.68 115.90 2dnc s LEU 75 Ca 0.66 2.05 -0.03 0.00 -1.03 0.00 0.00 54.13 55.79 2dnc s LEU 75 Cb -0.26 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.41 2dnc s LEU 75 CO 0.58 -2.61 0.86 0.61 0.23 0.00 0.00 176.35 176.02 2dnc n GLY 76 N -0.36 -0.22 3.09 -3.19 0.00 -1.20 -4.89 105.19 98.42 2dnc n GLY 76 Ca 0.11 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2dnc n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 77 N -3.76 2.36 -0.09 1.61 0.01 -1.24 -4.84 113.70 107.74 2dnc s SER 77 Ca 0.19 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2dnc s SER 77 Cb -0.08 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2dnc s SER 77 CO 0.59 0.06 1.51 -0.76 0.41 0.00 0.00 173.24 175.05 2dnc s LEU 78 N 0.69 4.27 -0.08 2.44 1.43 -1.26 -1.50 118.68 124.68 2dnc s LEU 78 Ca -0.13 2.04 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 2dnc s LEU 78 Cb -0.16 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.41 2dnc s LEU 78 CO 0.03 -0.86 0.06 2.30 0.23 0.00 0.00 176.35 178.11 2dnc n ILE 79 N 5.41 0.53 -3.50 -0.59 -5.35 -0.13 -3.95 119.36 111.78 2dnc n ILE 79 Ca 0.16 -0.36 -0.14 0.00 -0.27 0.00 0.00 62.75 62.14 2dnc n ILE 79 Cb 0.43 -0.62 -0.04 0.00 -1.74 0.00 0.00 39.64 37.67 2dnc n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2dnc s GLY 80 N -3.97 -0.52 -0.07 3.28 0.00 -1.25 0.27 107.32 105.05 2dnc s GLY 80 Ca -0.04 1.19 0.04 0.00 0.00 0.00 0.00 44.72 45.91 2dnc s GLY 80 CO 0.37 0.70 -0.20 -2.27 0.00 0.00 0.00 173.10 171.70 2dnc s LEU 81 N -1.72 2.35 0.14 0.66 1.98 -0.32 -0.01 118.68 121.77 2dnc s LEU 81 Ca -0.05 -0.41 0.05 0.00 -2.89 0.00 0.00 54.13 50.84 2dnc s LEU 81 Cb -0.00 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 45.34 2dnc s LEU 81 CO 0.01 0.24 0.10 -0.63 -1.89 0.00 0.00 176.35 174.18 2dnc s ILE 82 N -0.14 4.37 -0.03 6.68 1.01 0.98 0.15 121.20 134.22 2dnc s ILE 82 Ca -0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 2dnc s ILE 82 Cb -0.14 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.17 2dnc s ILE 82 CO 0.04 -0.05 0.05 0.68 0.00 0.00 0.00 174.94 175.66 2dnc s VAL 83 N -1.65 -0.05 -0.32 2.92 -7.23 0.44 -1.34 120.40 113.17 2dnc s VAL 83 Ca 0.30 0.18 -0.42 0.00 -1.81 0.00 0.00 61.98 60.23 2dnc s VAL 83 Cb -0.10 -0.11 -0.19 0.00 0.56 0.00 0.00 36.38 36.54 2dnc s VAL 83 CO 0.22 0.07 1.34 -0.62 -0.31 0.00 0.00 175.10 175.81 2dnc n GLU 84 N 4.02 0.00 -1.53 4.82 1.02 -1.26 -0.87 120.64 126.84 2dnc n GLU 84 Ca -0.25 0.00 -0.59 0.00 -0.02 0.00 0.00 57.16 56.30 2dnc n GLU 84 Cb 0.52 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 2dnc n GLU 84 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2dnc n GLU 85 N 3.00 0.11 0.00 3.49 2.13 -1.26 -1.23 120.64 126.89 2dnc n GLU 85 Ca 0.26 0.04 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2dnc n GLU 85 Cb -0.01 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dnc n GLY 86 N 1.82 2.88 3.61 8.31 0.00 -1.26 -5.02 105.19 115.53 2dnc n GLY 86 Ca 0.21 -0.75 -0.63 0.00 0.00 0.00 0.00 46.02 44.85 2dnc n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dnc n GLU 87 N 0.00 0.05 -1.54 1.61 1.02 -0.36 -4.61 120.64 116.81 2dnc n GLU 87 Ca 0.00 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 2dnc n GLU 87 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dnc n ASP 88 N 2.65 1.20 0.17 1.62 8.00 -1.26 -4.73 116.55 124.21 2dnc n ASP 88 Ca 0.25 -1.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.12 2dnc n ASP 88 Cb 0.03 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 39.57 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2dnc h TRP 89 N 12.25 -0.80 -1.42 1.24 5.08 -1.94 -3.42 115.95 126.93 2dnc h TRP 89 Ca 0.01 0.01 -0.69 0.00 1.08 0.00 0.00 58.89 59.30 2dnc h TRP 89 Cb 1.02 0.32 0.09 0.00 -3.00 0.00 0.00 29.16 27.59 2dnc h TRP 89 CO 1.18 -0.42 -0.09 1.17 -1.28 0.00 0.00 178.44 179.01 2dnc n LYS 90 N -5.41 0.48 -0.88 0.12 4.81 -1.26 -4.83 118.16 111.18 2dnc n LYS 90 Ca -0.08 0.17 -0.35 0.00 -0.87 0.00 0.00 58.31 57.17 2dnc n LYS 90 Cb 0.32 -1.47 0.08 0.00 0.02 0.00 0.00 35.03 33.98 2dnc n LYS 90 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2dnc n HIS 91 N 0.82 -2.48 -2.25 5.64 -0.00 -1.26 -4.56 115.22 111.12 2dnc n HIS 91 Ca 0.17 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.61 2dnc n HIS 91 Cb 0.22 -1.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.57 2dnc n HIS 91 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2dnc n VAL 92 N -3.45-13.19 -4.30 3.57 0.31 -1.26 -5.07 118.33 94.94 2dnc n VAL 92 Ca 0.00 3.15 -0.17 0.00 -0.01 0.00 0.00 64.34 67.31 2dnc n VAL 92 Cb 0.63 -5.91 -0.10 0.00 -0.91 0.00 0.00 33.84 27.55 2dnc n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dnc s SER 93 N -0.57 1.15 0.11 4.52 1.04 -1.26 -5.00 113.70 113.69 2dnc s SER 93 Ca 0.00 -1.48 -0.25 0.00 0.48 0.00 0.00 55.95 54.70 2dnc s SER 93 Cb 0.00 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.54 2dnc s SER 93 CO 0.00 -0.84 1.13 -0.83 0.98 0.00 0.00 173.24 173.68 2dnc s GLY 94 N -3.31 0.01 1.12 7.32 0.00 -1.26 -5.18 107.32 106.02 2dnc s GLY 94 Ca 0.37 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.74 2dnc s GLY 94 CO 0.16 3.37 1.24 2.56 0.00 0.00 0.00 173.10 180.42 2dnc s PRO 95 N -2.15 -0.61 -0.78 2.90 0.04 -1.26 -5.02 135.00 128.13 2dnc s PRO 95 Ca 0.24 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2dnc s PRO 95 Cb -0.02 -1.70 0.19 0.00 0.04 0.00 0.00 34.50 33.02 2dnc s PRO 95 CO 0.03 -3.25 0.62 0.45 0.04 0.00 0.00 177.00 174.88 2dnc s SER 96 N -4.50 5.46 0.07 6.66 0.15 -1.26 -5.03 113.70 115.25 2dnc s SER 96 Ca 0.75 -3.57 -0.23 0.00 0.70 0.00 0.00 55.95 53.60 2dnc s SER 96 Cb -0.05 -1.81 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 2dnc s SER 96 CO 0.55 -0.19 0.53 -0.94 1.20 0.00 0.00 173.24 174.39 2dnc s SER 97 N -0.36 -0.46 0.00 5.45 1.04 -1.26 -5.38 113.70 112.74 2dnc s SER 97 Ca 0.24 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2dnc s SER 97 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dnc s SER 97 CO -0.11 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 173.95