#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel s ALA 2 N 0.00 3.41 -0.74 3.04 0.00 -1.26 -5.02 121.76 121.19 1yel s ALA 2 Ca 0.00 -3.39 -0.06 0.00 0.00 0.00 0.00 51.96 48.51 1yel s ALA 2 Cb 0.00 -2.18 0.19 0.00 0.00 0.00 0.00 23.12 21.13 1yel s ALA 2 CO 0.00 -2.04 0.61 0.34 0.00 0.00 0.00 175.76 174.67 1yel s ASP 3 N -0.49 5.84 -0.06 0.00 -1.08 -1.26 -4.71 116.67 114.91 1yel s ASP 3 Ca 0.18 -2.96 0.16 0.00 -0.52 0.00 0.00 52.55 49.41 1yel s ASP 3 Cb -0.22 -1.98 -0.22 0.00 -1.46 0.00 0.00 42.92 39.05 1yel s ASP 3 CO -0.03 -0.40 0.53 0.41 0.52 0.00 0.00 175.17 176.20 1yel n THR 4 N 3.42 1.32 -0.34 1.71 -1.04 -1.26 -5.08 114.28 113.02 1yel n THR 4 Ca 0.12 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1yel n THR 4 Cb 0.40 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1yel n THR 4 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yel n GLY 5 N 1.55 -2.68 3.39 3.41 0.00 -1.26 -4.36 105.19 105.23 1yel n GLY 5 Ca -0.19 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1yel n GLY 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yel s GLU 6 N -3.19 0.55 0.00 1.61 -1.05 -1.25 -3.69 118.70 111.68 1yel s GLU 6 Ca 0.00 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.58 1yel s GLU 6 Cb 0.00 0.20 -0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1yel s GLU 6 CO 0.00 -0.10 -0.00 0.14 0.95 0.00 0.00 175.26 176.25 1yel s VAL 7 N 0.64 0.01 0.02 1.83 -7.23 0.12 -4.98 120.40 110.80 1yel s VAL 7 Ca -0.03 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1yel s VAL 7 Cb -0.05 -0.03 -0.02 0.00 0.56 0.00 0.00 36.38 36.85 1yel s VAL 7 CO -0.04 -0.04 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.00 1yel s GLN 8 N -0.11 0.94 -0.05 4.82 -0.44 -1.26 -0.25 119.66 123.31 1yel s GLN 8 Ca -0.01 -0.59 -0.14 0.00 -2.50 0.00 0.00 55.36 52.11 1yel s GLN 8 Cb -0.01 -0.92 0.03 0.00 -1.64 0.00 0.00 33.01 30.47 1yel s GLN 8 CO -0.00 0.24 0.32 -0.59 0.50 0.00 0.00 175.29 175.76 1yel s PHE 9 N -0.59 -0.25 -0.03 1.67 -0.71 -0.71 -4.99 117.98 112.37 1yel s PHE 9 Ca 0.03 0.47 -0.02 0.00 -1.04 0.00 0.00 56.93 56.37 1yel s PHE 9 Cb -0.06 0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.88 1yel s PHE 9 CO 0.00 -0.33 0.07 0.00 -1.34 0.00 0.00 175.22 173.62 1yel s MET 10 N -0.87 0.04 0.13 1.99 0.23 -1.26 -0.56 119.30 119.00 1yel s MET 10 Ca -0.10 0.18 -0.18 0.00 -1.03 0.00 0.00 55.69 54.56 1yel s MET 10 Cb -0.04 -0.09 0.05 0.00 -1.53 0.00 0.00 34.83 33.21 1yel s MET 10 CO 0.03 -0.09 0.46 -1.59 -2.03 0.00 0.00 175.02 171.81 1yel s LYS 11 N 0.59 1.12 0.25 3.16 0.00 -1.13 -4.95 119.74 118.77 1yel s LYS 11 Ca -0.05 -0.60 -0.31 0.00 0.00 0.00 0.00 55.97 55.01 1yel s LYS 11 Cb -0.06 0.50 -0.11 0.00 0.00 0.00 0.00 37.83 38.15 1yel s LYS 11 CO -0.02 -0.45 1.64 -2.14 0.00 0.00 0.00 175.35 174.37 1yel s PRO 12 N -3.68 4.13 0.14 1.78 0.02 -1.25 -2.66 135.00 133.47 1yel s PRO 12 Ca 0.02 2.57 -0.23 0.00 0.02 0.00 0.00 61.00 63.37 1yel s PRO 12 Cb 0.01 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 1yel s PRO 12 CO -0.11 -0.67 0.70 0.12 -0.33 0.00 0.00 177.00 176.70 1yel s PHE 13 N 0.55 3.86 -0.18 6.54 2.19 -1.12 -4.81 117.98 125.00 1yel s PHE 13 Ca 0.68 1.49 -0.19 0.00 0.33 0.00 0.00 56.93 59.24 1yel s PHE 13 Cb -0.48 -2.66 -0.03 0.00 -1.31 0.00 0.00 43.02 38.53 1yel s PHE 13 CO 0.40 0.53 0.56 0.42 1.83 0.00 0.00 175.22 178.96 1yel s ILE 14 N -1.16 5.09 0.48 3.12 1.09 -1.26 -3.48 121.20 125.08 1yel s ILE 14 Ca 0.34 1.05 0.40 0.00 -1.10 0.00 0.00 60.65 61.34 1yel s ILE 14 Cb -0.21 -3.88 0.40 0.00 -1.06 0.00 0.00 42.46 37.71 1yel s ILE 14 CO 0.23 0.18 2.23 0.77 -0.10 0.00 0.00 174.94 178.25 1yel h SER 15 N 7.33 0.00 -0.41 3.58 4.64 -1.93 -0.43 113.55 126.32 1yel h SER 15 Ca -0.34 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1yel h SER 15 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1yel h SER 15 CO 0.75 0.00 0.15 -0.08 -0.87 0.00 0.00 176.83 176.79 1yel h GLU 16 N 0.00 0.62 0.15 4.77 4.81 -1.99 -2.26 114.58 120.69 1yel h GLU 16 Ca 0.00 -0.12 -0.35 0.00 -0.13 0.00 0.00 59.36 58.76 1yel h GLU 16 Cb 0.03 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1yel h GLU 16 CO 0.00 0.59 -1.83 0.87 -0.73 0.00 0.00 179.01 177.91 1yel h LYS 17 N 0.52 0.32 0.00 1.92 6.56 -1.52 -3.34 116.57 121.03 1yel h LYS 17 Ca 0.14 -0.55 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1yel h LYS 17 Cb 0.21 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1yel h LYS 17 CO -0.01 1.26 0.00 0.45 -2.06 0.00 0.00 179.45 179.09 1yel n SER 18 N -3.59 0.00 -0.24 0.86 2.88 -0.29 -0.23 113.62 113.01 1yel n SER 18 Ca -0.28 0.50 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 1yel n SER 18 Cb 1.04 -0.50 0.09 0.00 -0.75 0.00 0.00 64.21 64.09 1yel n SER 18 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1yel h SER 19 N 0.00 0.66 0.00 -3.46 4.64 -1.53 -3.39 113.55 110.46 1yel h SER 19 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1yel h SER 19 Cb 0.05 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1yel h SER 19 CO 0.00 0.44 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 1yel n LYS 20 N -4.71 0.00 -3.80 4.77 5.02 -0.61 -4.67 118.16 114.16 1yel n LYS 20 Ca 0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1yel n LYS 20 Cb 0.12 -0.31 -0.08 0.00 -0.02 0.00 0.00 35.03 34.74 1yel n LYS 20 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1yel s SER 21 N 0.00 -0.05 -0.36 4.39 0.01 0.68 -4.05 113.70 114.32 1yel s SER 21 Ca 0.00 -0.23 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 1yel s SER 21 Cb 0.00 0.31 -0.00 0.00 0.21 0.00 0.00 66.02 66.54 1yel s SER 21 CO 0.00 -0.55 0.24 -0.22 0.41 0.00 0.00 173.24 173.12 1yel s LEU 22 N -1.92 4.63 -0.27 2.44 0.20 0.26 -3.05 118.68 120.98 1yel s LEU 22 Ca -0.07 -0.63 -0.29 0.00 0.69 0.00 0.00 54.13 53.83 1yel s LEU 22 Cb -0.02 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 1yel s LEU 22 CO -0.02 -0.30 1.54 -0.70 -0.29 0.00 0.00 176.35 176.57 1yel s GLU 23 N 1.67 3.76 -0.16 1.98 2.12 -1.26 -2.26 118.70 124.56 1yel s GLU 23 Ca 0.05 1.47 -0.16 0.00 0.36 0.00 0.00 54.97 56.68 1yel s GLU 23 Cb -0.18 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 1yel s GLU 23 CO 0.09 -1.33 0.41 0.42 -0.54 0.00 0.00 175.26 174.31 1yel s ILE 24 N 5.18 5.22 0.28 -3.70 1.01 -1.22 -5.02 121.20 122.94 1yel s ILE 24 Ca 0.67 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.81 1yel s ILE 24 Cb -0.22 -3.74 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 1yel s ILE 24 CO 0.28 0.32 1.27 -2.65 0.00 0.00 0.00 174.94 174.16 1yel n PRO 25 N 3.91 1.87 0.10 2.79 -0.02 -1.26 -4.60 135.00 137.80 1yel n PRO 25 Ca -0.09 0.66 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 1yel n PRO 25 Cb 0.51 -2.22 0.36 0.00 -0.02 0.00 0.00 33.50 32.14 1yel n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1yel h LEU 26 N 3.09 0.26 -1.81 2.45 6.46 -1.94 -1.71 115.31 122.11 1yel h LEU 26 Ca -0.44 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.24 1yel h LEU 26 Cb 1.30 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1yel h LEU 26 CO 0.67 0.43 -0.12 1.23 -0.62 0.00 0.00 178.44 180.04 1yel h GLY 27 N 0.79 0.00 0.74 3.75 0.00 -1.95 0.20 103.07 106.62 1yel h GLY 27 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1yel h GLY 27 CO 0.02 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.82 1yel h PHE 28 N 0.00 0.05 -0.63 5.60 3.04 -1.67 -0.08 116.94 123.24 1yel h PHE 28 Ca -0.00 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1yel h PHE 28 Cb 0.21 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1yel h PHE 28 CO 0.00 0.30 0.04 -0.97 -2.02 0.00 0.00 178.31 175.66 1yel h ASN 29 N -0.22 1.05 -0.70 0.41 -1.24 -1.30 -2.15 115.58 111.42 1yel h ASN 29 Ca 0.01 -0.28 -0.03 0.00 0.71 0.00 0.00 56.30 56.71 1yel h ASN 29 Cb 0.28 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1yel h ASN 29 CO 0.00 1.08 0.35 -0.08 -1.29 0.00 0.00 177.43 177.48 1yel h GLU 30 N 0.99 1.02 0.00 6.67 4.81 -0.54 -2.54 114.58 124.99 1yel h GLU 30 Ca 0.18 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1yel h GLU 30 Cb 0.52 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1yel h GLU 30 CO 0.02 0.79 -0.57 -0.92 -0.73 0.00 0.00 179.01 177.60 1yel h TYR 31 N 1.02 0.00 -1.60 0.92 3.20 -0.63 -3.44 116.97 116.43 1yel h TYR 31 Ca 0.25 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.22 1yel h TYR 31 Cb 0.10 0.00 -0.24 0.00 1.54 0.00 0.00 36.73 38.13 1yel h TYR 31 CO 0.01 0.57 0.21 -0.59 -1.64 0.00 0.00 178.16 176.72 1yel s PHE 32 N -3.52 -0.80 0.22 -3.82 -0.71 -0.84 -5.09 117.98 103.42 1yel s PHE 32 Ca -0.01 1.52 -0.30 0.00 -1.04 0.00 0.00 56.93 57.11 1yel s PHE 32 Cb 0.12 0.48 -0.08 0.00 -1.21 0.00 0.00 43.02 42.32 1yel s PHE 32 CO 0.74 -0.39 1.16 -2.14 -1.34 0.00 0.00 175.22 173.25 1yel s PRO 33 N 1.78 4.54 0.06 1.99 0.02 -1.21 -4.32 135.00 137.87 1yel s PRO 33 Ca -0.08 1.85 0.07 0.00 0.02 0.00 0.00 61.00 62.86 1yel s PRO 33 Cb -0.05 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 1yel s PRO 33 CO -0.17 0.02 -0.20 0.00 -0.33 0.00 0.00 177.00 176.32 1yel s ALA 34 N -0.45 1.71 0.40 -1.55 0.00 -1.26 -5.10 121.76 115.50 1yel s ALA 34 Ca 0.50 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1yel s ALA 34 Cb -0.32 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.41 1yel s ALA 34 CO 0.38 0.36 1.47 -0.35 0.00 0.00 0.00 175.76 177.62 1yel n PRO 35 N 1.57 2.56 -2.75 0.00 -0.04 -1.26 -4.92 135.00 130.16 1yel n PRO 35 Ca -0.18 0.90 -0.43 0.00 -0.04 0.00 0.00 63.50 63.75 1yel n PRO 35 Cb 0.54 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1yel n PRO 35 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1yel s PHE 36 N -1.14 2.91 0.03 0.54 -0.71 -1.26 -4.94 117.98 113.41 1yel s PHE 36 Ca 0.55 0.53 -0.21 0.00 -1.04 0.00 0.00 56.93 56.76 1yel s PHE 36 Cb -0.47 -4.07 -0.06 0.00 -1.21 0.00 0.00 43.02 37.22 1yel s PHE 36 CO 0.62 -1.11 0.64 -1.25 -1.34 0.00 0.00 175.22 172.77 1yel s PRO 37 N 3.92 4.35 0.05 1.99 0.04 -1.25 -4.97 135.00 139.13 1yel s PRO 37 Ca 0.40 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 62.01 1yel s PRO 37 Cb -0.09 -3.32 -0.17 0.00 0.04 0.00 0.00 34.50 30.95 1yel s PRO 37 CO 0.27 0.41 1.51 0.82 0.04 0.00 0.00 177.00 180.05 1yel h ILE 38 N 3.98 0.82 -3.91 0.56 1.08 -1.96 -3.32 117.51 114.77 1yel h ILE 38 Ca -0.46 -0.32 -0.59 0.00 -0.39 0.00 0.00 64.86 63.11 1yel h ILE 38 Cb 1.20 1.01 -0.22 0.00 -3.07 0.00 0.00 36.82 35.74 1yel h ILE 38 CO 0.69 0.07 -0.84 0.42 -0.69 0.00 0.00 178.15 177.80 1yel s THR 39 N -5.48 1.84 0.08 -0.27 -4.23 -1.26 -4.00 115.64 102.33 1yel s THR 39 Ca -0.15 -1.60 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1yel s THR 39 Cb 0.04 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 1yel s THR 39 CO 0.62 -0.03 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.91 1yel s VAL 40 N -1.16 0.65 -0.04 2.29 1.01 0.19 -4.90 120.40 118.45 1yel s VAL 40 Ca 0.08 -1.69 0.04 0.00 0.00 0.00 0.00 61.98 60.42 1yel s VAL 40 Cb -0.10 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1yel s VAL 40 CO 0.05 -0.73 -0.17 -0.62 0.00 0.00 0.00 175.10 173.63 1yel s ASP 41 N -2.62 2.08 -0.18 3.32 2.15 0.19 0.24 116.67 121.85 1yel s ASP 41 Ca 0.06 -0.34 -0.04 0.00 0.43 0.00 0.00 52.55 52.65 1yel s ASP 41 Cb 0.01 -0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 42.07 1yel s ASP 41 CO -0.03 0.16 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.35 1yel s LEU 42 N -0.01 3.28 -0.11 -1.34 1.43 0.15 -1.55 118.68 120.53 1yel s LEU 42 Ca -0.02 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1yel s LEU 42 Cb -0.11 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1yel s LEU 42 CO 0.02 0.12 0.02 -0.76 0.23 0.00 0.00 176.35 175.98 1yel s LEU 43 N 0.65 3.68 -0.02 1.79 2.01 0.06 -0.71 118.68 126.15 1yel s LEU 43 Ca -0.01 0.16 0.03 0.00 0.01 0.00 0.00 54.13 54.32 1yel s LEU 43 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 46.19 44.17 1yel s LEU 43 CO 0.02 0.35 -0.11 -0.62 1.01 0.00 0.00 176.35 177.00 1yel s ASP 44 N -0.67 4.31 0.00 2.29 2.15 -0.50 -0.99 116.67 123.26 1yel s ASP 44 Ca 0.11 -0.18 0.15 0.00 0.43 0.00 0.00 52.55 53.06 1yel s ASP 44 Cb -0.12 -0.95 0.82 0.00 -0.30 0.00 0.00 42.92 42.37 1yel s ASP 44 CO 0.02 0.31 1.39 -1.22 -0.17 0.00 0.00 175.17 175.51 1yel n TYR 45 N 1.93 0.00 0.63 -5.34 4.02 -1.26 -0.63 117.16 116.51 1yel n TYR 45 Ca -0.17 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.85 1yel n TYR 45 Cb 0.52 -0.19 0.34 0.00 -0.02 0.00 0.00 39.34 39.99 1yel n TYR 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1yel n SER 46 N -1.19 0.74 0.00 7.72 2.88 -1.26 -4.94 113.62 117.57 1yel n SER 46 Ca 0.09 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1yel n SER 46 Cb 0.10 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1yel n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yel n GLY 47 N 1.33 1.77 3.89 0.46 0.00 0.20 -5.11 105.19 107.72 1yel n GLY 47 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1yel n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yel s ARG 48 N -0.02 3.74 -0.00 1.61 3.52 -1.24 -4.87 118.95 121.69 1yel s ARG 48 Ca 0.00 0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.89 1yel s ARG 48 Cb 0.00 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 1yel s ARG 48 CO 0.00 0.18 -0.17 -1.54 -0.81 0.00 0.00 175.30 172.96 1yel s SER 49 N -2.89 1.95 -0.09 -2.12 1.04 -1.26 -1.41 113.70 108.92 1yel s SER 49 Ca 0.47 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.60 1yel s SER 49 Cb -0.11 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1yel s SER 49 CO 0.27 0.18 -0.15 0.26 0.98 0.00 0.00 173.24 174.78 1yel s TRP 50 N -0.46 1.85 -0.24 5.02 0.51 0.12 -4.94 118.94 120.79 1yel s TRP 50 Ca 0.06 -0.78 -0.18 0.00 -2.12 0.00 0.00 56.10 53.08 1yel s TRP 50 Cb -0.07 -1.32 -0.03 0.00 -0.81 0.00 0.00 33.47 31.24 1yel s TRP 50 CO -0.00 -0.38 0.52 0.99 -0.51 0.00 0.00 176.95 177.57 1yel s THR 51 N 0.74 5.08 0.19 2.01 2.01 -1.26 0.32 115.64 124.73 1yel s THR 51 Ca -0.12 0.91 0.08 0.00 0.31 0.00 0.00 61.69 62.87 1yel s THR 51 Cb -0.16 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1yel s THR 51 CO 0.03 0.11 -0.16 0.68 -0.69 0.00 0.00 174.62 174.59 1yel s VAL 52 N 2.13 1.77 -0.21 3.82 -7.23 0.14 -4.54 120.40 116.27 1yel s VAL 52 Ca 0.22 -2.11 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1yel s VAL 52 Cb -0.16 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1yel s VAL 52 CO 0.09 -0.50 0.10 -0.13 -0.31 0.00 0.00 175.10 174.35 1yel s ARG 53 N -3.34 4.00 -0.22 4.82 0.52 -0.61 0.57 118.95 124.69 1yel s ARG 53 Ca 0.20 -0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1yel s ARG 53 Cb -0.03 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 1yel s ARG 53 CO 0.07 0.16 -0.03 1.41 0.02 0.00 0.00 175.30 176.93 1yel s MET 54 N 0.71 3.42 -0.11 3.54 -2.45 -1.25 -0.65 119.30 122.51 1yel s MET 54 Ca 0.05 -0.61 0.02 0.00 -1.25 0.00 0.00 55.69 53.91 1yel s MET 54 Cb -0.13 -3.03 0.01 0.00 1.25 0.00 0.00 34.83 32.94 1yel s MET 54 CO 0.02 -0.16 -0.16 0.15 1.05 0.00 0.00 175.02 175.92 1yel s LYS 55 N 1.40 2.26 -0.29 4.11 1.02 0.20 -3.87 119.74 124.57 1yel s LYS 55 Ca 0.05 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 1yel s LYS 55 Cb -0.14 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1yel s LYS 55 CO -0.02 -0.06 0.08 0.21 -0.92 0.00 0.00 175.35 174.64 1yel s LYS 56 N 0.98 3.17 -0.27 1.68 2.20 -1.26 -1.31 119.74 124.93 1yel s LYS 56 Ca -0.06 -0.80 -0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1yel s LYS 56 Cb -0.15 -3.37 0.14 0.00 -1.51 0.00 0.00 37.83 32.93 1yel s LYS 56 CO -0.02 -0.41 0.33 0.50 -0.36 0.00 0.00 175.35 175.39 1yel s ARG 57 N 1.52 0.34 0.00 4.03 3.52 -1.21 -4.82 118.95 122.32 1yel s ARG 57 Ca 0.03 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1yel s ARG 57 Cb -0.17 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.62 1yel s ARG 57 CO 0.03 -0.94 0.00 0.41 -0.81 0.00 0.00 175.30 173.99 1yel n GLY 58 N 5.33 0.63 0.21 8.12 0.00 -1.26 -4.35 105.19 113.87 1yel n GLY 58 Ca -0.02 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.40 1yel n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yel n GLU 59 N 0.00 0.68 -4.43 1.61 1.02 -1.26 -4.90 120.64 113.36 1yel n GLU 59 Ca 0.00 -0.42 -0.21 0.00 -0.02 0.00 0.00 57.16 56.52 1yel n GLU 59 Cb 0.00 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 1yel n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1yel s LYS 60 N -2.60 1.62 -0.05 3.49 1.02 -1.26 -4.79 119.74 117.16 1yel s LYS 60 Ca 0.21 -1.89 0.01 0.00 0.02 0.00 0.00 55.97 54.32 1yel s LYS 60 Cb 0.19 -0.77 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 1yel s LYS 60 CO 0.56 -0.21 -0.07 0.08 -0.92 0.00 0.00 175.35 174.80 1yel s VAL 61 N -3.37 0.74 -0.07 3.17 1.01 -1.26 -3.33 120.40 117.28 1yel s VAL 61 Ca 0.37 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1yel s VAL 61 Cb 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1yel s VAL 61 CO 0.15 0.27 -0.18 -0.36 0.00 0.00 0.00 175.10 174.98 1yel s PHE 62 N 0.84 1.95 -0.35 5.22 0.08 -0.42 -3.45 117.98 121.85 1yel s PHE 62 Ca -0.12 -0.70 -0.11 0.00 0.12 0.00 0.00 56.93 56.11 1yel s PHE 62 Cb -0.15 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1yel s PHE 62 CO 0.01 -0.29 0.20 -1.17 -0.10 0.00 0.00 175.22 173.87 1yel s LEU 63 N 0.35 4.47 0.00 -0.37 0.20 -0.96 -0.63 118.68 121.74 1yel s LEU 63 Ca -0.13 -0.67 0.00 0.00 0.69 0.00 0.00 54.13 54.03 1yel s LEU 63 Cb -0.15 -2.06 0.00 0.00 -0.43 0.00 0.00 46.19 43.55 1yel s LEU 63 CO 0.05 -0.28 0.00 0.35 -0.29 0.00 0.00 176.35 176.18 1yel n THR 64 N 5.03 0.00 -2.01 3.68 -2.24 0.18 0.91 114.28 119.83 1yel n THR 64 Ca -0.13 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1yel n THR 64 Cb 0.48 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1yel n THR 64 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1yel s VAL 65 N 0.85 2.64 0.00 2.28 -7.23 -1.26 -2.69 120.40 114.99 1yel s VAL 65 Ca 0.00 0.55 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1yel s VAL 65 Cb 0.00 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1yel s VAL 65 CO 0.00 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 1yel n GLY 66 N 2.08 3.13 0.30 2.32 0.00 -1.26 -1.58 105.19 110.18 1yel n GLY 66 Ca 0.06 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.17 1yel n GLY 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1yel h TRP 67 N 0.00 0.00 0.00 1.61 2.91 -1.78 -1.06 115.95 117.63 1yel h TRP 67 Ca 0.00 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 1yel h TRP 67 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1yel h TRP 67 CO 0.00 0.00 -0.37 1.05 -1.03 0.00 0.00 178.44 178.09 1yel h GLU 68 N 0.00 0.00 0.00 2.65 4.11 -1.79 -0.93 114.58 118.62 1yel h GLU 68 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.37 1yel h GLU 68 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1yel h GLU 68 CO -0.00 0.37 -0.42 -0.91 0.07 0.00 0.00 179.01 178.11 1yel h ASN 69 N 0.00 0.00 -0.01 3.06 2.35 -1.57 -0.36 115.58 119.05 1yel h ASN 69 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1yel h ASN 69 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1yel h ASN 69 CO 0.05 0.42 -0.07 0.15 -1.65 0.00 0.00 177.43 176.33 1yel h PHE 70 N 0.00 0.09 -0.63 1.19 3.04 -1.32 -0.32 116.94 118.99 1yel h PHE 70 Ca -0.00 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.86 1yel h PHE 70 Cb 0.77 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.24 1yel h PHE 70 CO 0.00 0.75 0.20 -0.24 -2.02 0.00 0.00 178.31 177.00 1yel h VAL 71 N -0.60 1.23 -0.22 1.41 3.04 -1.01 0.26 116.25 120.37 1yel h VAL 71 Ca -0.01 -0.80 -0.03 0.00 -1.01 0.00 0.00 66.70 64.86 1yel h VAL 71 Cb 0.76 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1yel h VAL 71 CO 0.01 0.31 0.03 0.11 -1.01 0.00 0.00 177.57 177.03 1yel h LYS 72 N 0.92 0.37 0.09 4.17 1.57 -1.12 -1.22 116.57 121.35 1yel h LYS 72 Ca 0.21 -0.10 -0.27 0.00 -1.87 0.00 0.00 60.65 58.61 1yel h LYS 72 Cb 0.26 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.55 1yel h LYS 72 CO -0.01 0.52 -1.12 0.22 -0.57 0.00 0.00 179.45 178.49 1yel h ASP 73 N 0.17 0.82 1.00 0.86 3.58 -0.35 -3.25 116.42 119.25 1yel h ASP 73 Ca 0.07 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1yel h ASP 73 Cb 0.33 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1yel h ASP 73 CO 0.01 1.55 -0.51 0.78 -2.88 0.00 0.00 179.24 178.18 1yel h ASN 74 N 0.20 0.00 -6.29 2.28 4.21 -0.62 -3.49 115.58 111.88 1yel h ASN 74 Ca -0.17 -0.16 -0.32 0.00 1.21 0.00 0.00 56.30 56.86 1yel h ASN 74 Cb 1.80 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.01 1yel h ASN 74 CO 0.22 0.08 -0.83 0.59 -1.29 0.00 0.00 177.43 176.20 1yel n ASN 75 N -2.17 -5.88 -4.49 5.81 3.02 -0.46 -4.98 115.26 106.10 1yel n ASN 75 Ca 0.04 -0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 53.76 1yel n ASN 75 Cb 0.44 -2.78 -0.13 0.00 -0.61 0.00 0.00 39.78 36.70 1yel n ASN 75 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1yel s LEU 76 N -4.09 2.90 0.32 3.41 -0.00 -1.23 -5.07 118.68 114.93 1yel s LEU 76 Ca 0.09 -0.16 0.09 0.00 -0.00 0.00 0.00 54.13 54.15 1yel s LEU 76 Cb -0.01 -1.62 -0.06 0.00 -0.00 0.00 0.00 46.19 44.49 1yel s LEU 76 CO 0.85 0.31 -0.09 -1.61 -0.00 0.00 0.00 176.35 175.81 1yel s GLU 77 N -0.49 1.72 0.21 1.48 2.02 -1.26 -4.98 118.70 117.40 1yel s GLU 77 Ca 0.07 -1.88 -0.32 0.00 0.02 0.00 0.00 54.97 52.86 1yel s GLU 77 Cb -0.12 -1.51 -0.13 0.00 0.10 0.00 0.00 34.13 32.46 1yel s GLU 77 CO 0.02 0.11 1.51 -0.40 0.02 0.00 0.00 175.26 176.52 1yel n ASP 78 N -0.71 3.07 0.00 -0.19 5.75 -1.23 -3.34 116.55 119.91 1yel n ASP 78 Ca -0.05 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.84 1yel n ASP 78 Cb 0.63 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 1yel n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yel n GLY 79 N 2.77 3.88 3.85 6.12 0.00 -1.25 -4.98 105.19 115.58 1yel n GLY 79 Ca 0.14 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1yel n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yel s LYS 80 N 0.00 3.90 -0.16 1.61 1.02 -1.21 -4.74 119.74 120.16 1yel s LYS 80 Ca 0.00 0.88 -0.13 0.00 0.02 0.00 0.00 55.97 56.75 1yel s LYS 80 Cb 0.00 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 1yel s LYS 80 CO 0.00 -0.27 0.26 0.71 -0.92 0.00 0.00 175.35 175.12 1yel s TYR 81 N -2.65 3.47 -0.10 3.18 1.51 -1.22 -2.79 117.35 118.75 1yel s TYR 81 Ca 0.58 0.56 0.01 0.00 -1.01 0.00 0.00 57.07 57.21 1yel s TYR 81 Cb -0.10 -2.28 -0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1yel s TYR 81 CO 0.33 0.30 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.43 1yel s LEU 82 N 0.27 2.68 -0.18 -1.29 1.02 -1.09 -0.36 118.68 119.73 1yel s LEU 82 Ca 0.15 -0.30 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 1yel s LEU 82 Cb -0.13 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 1yel s LEU 82 CO 0.03 0.22 -0.03 -1.58 0.02 0.00 0.00 176.35 175.01 1yel s GLN 83 N 0.04 3.57 -0.23 1.70 0.74 0.25 -2.85 119.66 122.87 1yel s GLN 83 Ca -0.05 -0.56 -0.02 0.00 0.05 0.00 0.00 55.36 54.78 1yel s GLN 83 Cb -0.14 -2.97 0.01 0.00 1.10 0.00 0.00 33.01 31.00 1yel s GLN 83 CO 0.04 0.06 -0.06 -0.06 -0.55 0.00 0.00 175.29 174.72 1yel s PHE 84 N 0.83 2.99 -0.30 1.67 0.08 0.27 -1.47 117.98 122.06 1yel s PHE 84 Ca -0.01 -1.31 -0.11 0.00 0.12 0.00 0.00 56.93 55.62 1yel s PHE 84 Cb -0.14 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1yel s PHE 84 CO 0.02 -0.67 0.18 0.42 -0.10 0.00 0.00 175.22 175.07 1yel s ILE 85 N 1.39 5.06 -0.12 0.64 1.01 -0.27 -1.74 121.20 127.17 1yel s ILE 85 Ca 0.03 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1yel s ILE 85 Cb -0.15 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1yel s ILE 85 CO -0.05 0.15 -0.22 -0.47 0.00 0.00 0.00 174.94 174.35 1yel s TYR 86 N 1.71 2.56 0.00 3.97 5.04 0.65 -1.84 117.35 129.44 1yel s TYR 86 Ca 0.06 -1.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 1yel s TYR 86 Cb -0.16 -1.73 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1yel s TYR 86 CO 0.09 -0.52 0.00 -0.25 -1.34 0.00 0.00 175.55 173.53 1yel n ASP 87 N 3.84 0.00 -0.33 4.32 8.00 -1.26 0.13 116.55 131.25 1yel n ASP 87 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1yel n ASP 87 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1yel n ASP 87 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yel n ARG 88 N 0.00 0.00 -3.34 -1.24 5.12 -1.24 -3.93 116.66 112.03 1yel n ARG 88 Ca 0.00 -0.39 -0.20 0.00 -1.93 0.00 0.00 57.85 55.32 1yel n ARG 88 Cb 0.00 -0.24 -0.00 0.00 -1.16 0.00 0.00 32.46 31.06 1yel n ARG 88 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1yel n ASP 89 N 0.00 2.39 -2.02 0.55 2.03 -1.26 -5.00 116.55 113.25 1yel n ASP 89 Ca 0.00 -2.48 -0.21 0.00 0.52 0.00 0.00 54.79 52.62 1yel n ASP 89 Cb 0.56 -0.02 0.13 0.00 -0.72 0.00 0.00 41.12 41.07 1yel n ASP 89 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1yel n ARG 90 N -1.48 2.07 -4.14 -0.67 3.00 -1.26 -4.83 116.66 109.34 1yel n ARG 90 Ca -0.02 -2.44 -0.27 0.00 -0.01 0.00 0.00 57.85 55.11 1yel n ARG 90 Cb 0.49 -1.96 -0.17 0.00 0.00 0.00 0.00 32.46 30.82 1yel n ARG 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1yel s THR 91 N -2.88 1.23 0.01 0.55 2.01 -1.26 -0.64 115.64 114.66 1yel s THR 91 Ca 0.47 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1yel s THR 91 Cb 0.39 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1yel s THR 91 CO 0.07 0.39 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.92 1yel s PHE 92 N 1.35 2.77 -0.22 4.92 0.40 -0.59 -4.24 117.98 122.37 1yel s PHE 92 Ca -0.01 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1yel s PHE 92 Cb -0.14 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 1yel s PHE 92 CO -0.05 0.32 -0.04 0.71 0.70 0.00 0.00 175.22 176.85 1yel s TYR 93 N -0.94 2.96 -0.10 0.36 2.02 -0.77 -0.76 117.35 120.13 1yel s TYR 93 Ca 0.16 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 55.97 1yel s TYR 93 Cb -0.11 -2.10 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1yel s TYR 93 CO 0.06 -0.52 -0.08 0.08 -1.57 0.00 0.00 175.55 173.52 1yel s VAL 94 N 1.44 3.55 -0.09 0.71 1.01 -0.16 -1.11 120.40 125.76 1yel s VAL 94 Ca 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1yel s VAL 94 Cb -0.14 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1yel s VAL 94 CO -0.03 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 1yel s ILE 95 N -0.27 0.94 -0.22 2.22 1.01 -0.54 -4.07 121.20 120.27 1yel s ILE 95 Ca 0.03 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1yel s ILE 95 Cb -0.13 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1yel s ILE 95 CO 0.03 0.34 0.31 -0.63 0.00 0.00 0.00 174.94 174.98 1yel s ILE 96 N 1.30 5.26 -0.24 2.92 1.09 -1.26 -0.59 121.20 129.68 1yel s ILE 96 Ca -0.03 0.51 -0.14 0.00 -1.10 0.00 0.00 60.65 59.89 1yel s ILE 96 Cb -0.14 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1yel s ILE 96 CO -0.03 0.29 0.30 -0.31 -0.10 0.00 0.00 174.94 175.09 1yel s TYR 97 N 1.22 3.30 -5.00 3.97 2.02 0.51 -4.94 117.35 118.42 1yel s TYR 97 Ca 0.15 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 1yel s TYR 97 Cb -0.14 -2.46 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 1yel s TYR 97 CO 0.07 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 1yel n GLY 98 N 4.42 0.54 3.12 0.71 0.00 -1.26 -3.40 105.19 109.32 1yel n GLY 98 Ca -0.11 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1yel n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yel n HIS 99 N 9.00 4.29 0.01 1.61 8.25 -1.26 -4.67 115.22 132.45 1yel n HIS 99 Ca 0.00 -4.01 -0.02 0.00 -0.26 0.00 0.00 57.72 53.43 1yel n HIS 99 Cb 0.00 -1.22 -0.01 0.00 1.12 0.00 0.00 29.99 29.88 1yel n HIS 99 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1yel n ASN 100 N 2.24 1.15 -3.89 0.41 2.85 -1.26 -4.99 115.26 111.77 1yel n ASN 100 Ca 0.23 0.16 -0.28 0.00 -0.11 0.00 0.00 54.58 54.58 1yel n ASN 100 Cb 0.37 -0.40 -0.17 0.00 1.24 0.00 0.00 39.78 40.83 1yel n ASN 100 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1yel s MET 101 N -2.06 1.42 0.00 1.20 1.75 -1.26 -5.16 119.30 115.19 1yel s MET 101 Ca -0.06 -0.42 0.24 0.00 -1.25 0.00 0.00 55.69 54.20 1yel s MET 101 Cb 0.01 -1.86 0.23 0.00 2.84 0.00 0.00 34.83 36.05 1yel s MET 101 CO 0.09 -0.38 1.28 0.00 -0.65 0.00 0.00 175.02 175.36