#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 3.02 -0.45 3.04 0.00 -1.26 -5.04 121.76 121.07 1yel s ALA 2 Ca 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 1yel s ALA 2 Cb 0.00 -2.14 0.12 0.00 0.00 0.00 0.00 23.12 21.10 1yel s ALA 2 CO 0.00 -1.05 0.24 0.34 0.00 0.00 0.00 175.76 175.29 1yel s ASP 3 N 1.45 5.15 -0.22 0.00 -1.08 -1.26 -4.84 116.67 115.86 1yel s ASP 3 Ca 0.01 -2.28 0.10 0.00 -0.52 0.00 0.00 52.55 49.87 1yel s ASP 3 Cb -0.18 -1.80 -0.21 0.00 -1.46 0.00 0.00 42.92 39.27 1yel s ASP 3 CO 0.02 -0.47 -0.05 0.41 0.52 0.00 0.00 175.17 175.59 1yel n THR 4 N 4.24 1.44 0.00 1.71 -1.04 -1.26 -5.09 114.28 114.28 1yel n THR 4 Ca 0.01 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1yel n THR 4 Cb 0.40 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 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 1.98 -0.69 3.40 3.41 0.00 -1.26 -5.10 105.19 106.93 1yel n GLY 5 Ca -0.39 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 1yel n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yel n GLU 6 N 0.00 -1.87 -4.96 1.61 2.13 -1.25 -4.99 120.64 111.31 1yel n GLU 6 Ca 0.00 1.47 -0.27 0.00 0.66 0.00 0.00 57.16 59.02 1yel n GLU 6 Cb 0.00 -2.41 -0.15 0.00 0.27 0.00 0.00 31.44 29.14 1yel n GLU 6 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1yel s VAL 7 N -1.56 1.63 0.07 6.31 -7.23 -0.01 -4.96 120.40 114.64 1yel s VAL 7 Ca 0.34 -0.92 0.09 0.00 -1.81 0.00 0.00 61.98 59.67 1yel s VAL 7 Cb -0.04 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1yel s VAL 7 CO 0.79 0.42 -0.24 0.00 -0.31 0.00 0.00 175.10 175.76 1yel s GLN 8 N -0.58 1.54 0.06 4.82 -2.07 -1.26 -0.26 119.66 121.91 1yel s GLN 8 Ca 0.08 -1.11 0.05 0.00 -1.82 0.00 0.00 55.36 52.56 1yel s GLN 8 Cb -0.08 -1.76 -0.03 0.00 -1.09 0.00 0.00 33.01 30.05 1yel s GLN 8 CO -0.00 0.44 -0.15 0.12 -1.32 0.00 0.00 175.29 174.38 1yel s PHE 9 N -0.89 1.31 0.06 9.60 5.36 -0.54 -4.92 117.98 127.95 1yel s PHE 9 Ca 0.10 -0.42 0.07 0.00 -0.96 0.00 0.00 56.93 55.73 1yel s PHE 9 Cb -0.10 -0.75 -0.03 0.00 -0.34 0.00 0.00 43.02 41.81 1yel s PHE 9 CO 0.03 0.07 -0.21 -1.64 -1.46 0.00 0.00 175.22 172.01 1yel s MET 10 N -1.57 1.31 -0.19 10.12 -1.94 -1.26 -0.52 119.30 125.25 1yel s MET 10 Ca 0.00 -0.99 -0.18 0.00 -1.71 0.00 0.00 55.69 52.81 1yel s MET 10 Cb -0.09 -1.46 0.05 0.00 2.01 0.00 0.00 34.83 35.34 1yel s MET 10 CO 0.02 0.36 0.51 0.21 -0.01 0.00 0.00 175.02 176.11 1yel s LYS 11 N -1.37 0.59 0.49 2.03 2.20 -0.83 -5.01 119.74 117.85 1yel s LYS 11 Ca 0.07 0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 56.16 1yel s LYS 11 Cb -0.09 0.29 -0.06 0.00 -1.51 0.00 0.00 37.83 36.45 1yel s LYS 11 CO 0.02 -0.07 1.25 -1.25 -0.36 0.00 0.00 175.35 174.94 1yel s PRO 12 N 0.28 3.53 -0.23 4.03 0.04 -1.26 -2.16 135.00 139.23 1yel s PRO 12 Ca -0.00 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1yel s PRO 12 Cb -0.04 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1yel s PRO 12 CO 0.01 -0.80 1.11 0.12 0.04 0.00 0.00 177.00 177.48 1yel s PHE 13 N -1.44 3.17 -0.24 0.56 2.19 0.71 -4.91 117.98 118.02 1yel s PHE 13 Ca 0.66 1.30 -0.06 0.00 0.33 0.00 0.00 56.93 59.16 1yel s PHE 13 Cb -0.34 -3.40 -0.02 0.00 -1.31 0.00 0.00 43.02 37.95 1yel s PHE 13 CO 0.40 -0.87 0.04 0.42 1.83 0.00 0.00 175.22 177.04 1yel s ILE 14 N 3.37 4.09 -0.88 3.12 1.01 -1.26 -3.17 121.20 127.47 1yel s ILE 14 Ca 0.47 -0.25 0.12 0.00 0.00 0.00 0.00 60.65 61.00 1yel s ILE 14 Cb -0.16 -2.90 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1yel s ILE 14 CO 0.10 0.36 1.39 -0.24 0.00 0.00 0.00 174.94 176.55 1yel n SER 15 N 4.87 0.12 -0.02 3.58 2.88 -1.26 -0.38 113.62 123.41 1yel n SER 15 Ca -0.17 0.54 -0.16 0.00 -1.33 0.00 0.00 58.87 57.75 1yel n SER 15 Cb 0.51 -0.56 -0.11 0.00 -0.75 0.00 0.00 64.21 63.30 1yel n SER 15 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1yel h GLU 16 N 0.00 0.28 0.00 -1.46 5.08 -2.00 -3.37 114.58 113.10 1yel h GLU 16 Ca 0.00 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1yel h GLU 16 Cb 0.18 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1yel h GLU 16 CO 0.00 0.98 -1.51 1.63 -1.00 0.00 0.00 179.01 179.11 1yel n LYS 17 N -4.39 0.22 0.00 2.33 4.01 -0.88 -4.62 118.16 114.83 1yel n LYS 17 Ca -0.10 0.06 0.07 0.00 -0.51 0.00 0.00 58.31 57.83 1yel n LYS 17 Cb 0.56 -1.11 0.39 0.00 -0.51 0.00 0.00 35.03 34.36 1yel n LYS 17 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1yel n SER 18 N -2.89 0.00 0.18 4.39 7.64 0.49 -2.11 113.62 121.32 1yel n SER 18 Ca -0.16 -0.11 0.05 0.00 1.01 0.00 0.00 58.87 59.66 1yel n SER 18 Cb 0.66 -0.19 0.26 0.00 -1.01 0.00 0.00 64.21 63.94 1yel n SER 18 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1yel h SER 19 N 0.00 0.00 0.00 6.43 4.64 -1.73 -3.39 113.55 119.50 1yel h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yel h SER 19 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1yel h SER 19 CO 0.00 0.39 -0.34 1.17 -0.87 0.00 0.00 176.83 177.18 1yel n LYS 20 N -3.42 3.09 -4.00 4.77 4.81 -0.89 -4.86 118.16 117.65 1yel n LYS 20 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1yel n LYS 20 Cb 0.56 -0.67 -0.06 0.00 0.02 0.00 0.00 35.03 34.88 1yel n LYS 20 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1yel s SER 21 N -1.02 -0.06 -0.17 3.14 0.01 -0.90 -3.94 113.70 110.76 1yel s SER 21 Ca 0.00 -0.94 -0.07 0.00 1.31 0.00 0.00 55.95 56.25 1yel s SER 21 Cb 0.00 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 1yel s SER 21 CO 0.00 -1.08 0.06 -0.76 0.41 0.00 0.00 173.24 171.87 1yel s LEU 22 N -3.02 3.82 -0.42 2.44 1.43 0.12 -3.29 118.68 119.77 1yel s LEU 22 Ca 0.23 0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 1yel s LEU 22 Cb 0.00 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1yel s LEU 22 CO 0.08 0.21 0.65 -1.83 0.23 0.00 0.00 176.35 175.68 1yel s GLU 23 N 0.18 3.39 -0.20 1.70 -1.05 -1.26 -1.04 118.70 120.43 1yel s GLU 23 Ca 0.04 -0.24 -0.02 0.00 -0.15 0.00 0.00 54.97 54.60 1yel s GLU 23 Cb -0.12 -3.91 -0.00 0.00 -0.44 0.00 0.00 34.13 29.65 1yel s GLU 23 CO 0.01 -0.94 -0.09 0.42 0.95 0.00 0.00 175.26 175.60 1yel s ILE 24 N 2.83 3.06 0.67 1.83 1.01 -1.12 -5.03 121.20 124.45 1yel s ILE 24 Ca 0.24 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1yel s ILE 24 Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1yel s ILE 24 CO 0.18 0.46 1.16 -2.16 0.00 0.00 0.00 174.94 174.58 1yel s PRO 25 N 1.25 2.61 0.24 2.79 0.04 -1.26 -3.87 135.00 136.80 1yel s PRO 25 Ca 0.03 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1yel s PRO 25 Cb -0.14 -1.91 0.26 0.00 0.04 0.00 0.00 34.50 32.75 1yel s PRO 25 CO -0.04 -1.44 1.60 -0.07 0.04 0.00 0.00 177.00 177.10 1yel h LEU 26 N 0.09 0.49 -1.46 -3.56 4.07 -1.96 -2.75 115.31 110.23 1yel h LEU 26 Ca -0.48 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.20 1yel h LEU 26 Cb 1.27 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1yel h LEU 26 CO 0.53 0.87 -0.27 1.23 -1.08 0.00 0.00 178.44 179.71 1yel h GLY 27 N 1.14 0.00 1.90 0.83 0.00 -1.97 -2.15 103.07 102.82 1yel h GLY 27 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1yel h GLY 27 CO 0.08 0.00 -0.82 -2.75 0.00 0.00 0.00 176.54 173.05 1yel h PHE 28 N 0.00 0.13 0.00 5.60 3.57 -1.88 -2.99 116.94 121.36 1yel h PHE 28 Ca -0.00 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 1yel h PHE 28 Cb 0.52 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1yel h PHE 28 CO 0.00 0.87 -0.50 -2.95 -2.23 0.00 0.00 178.31 173.49 1yel h ASN 29 N 0.05 0.00 1.33 0.41 7.08 -1.15 -2.43 115.58 120.87 1yel h ASN 29 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1yel h ASN 29 Cb 1.44 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.68 1yel h ASN 29 CO 0.12 0.50 0.00 -0.08 -2.08 0.00 0.00 177.43 175.89 1yel h GLU 30 N 0.00 0.00 0.00 4.14 4.57 -1.39 -2.03 114.58 119.87 1yel h GLU 30 Ca -0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1yel h GLU 30 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1yel h GLU 30 CO 0.07 0.00 -0.58 -0.92 -1.18 0.00 0.00 179.01 176.39 1yel h TYR 31 N 0.00 0.00 -0.93 0.92 3.20 -1.29 -3.40 116.97 115.46 1yel h TYR 31 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1yel h TYR 31 Cb 0.67 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.78 1yel h TYR 31 CO 0.00 0.58 -0.46 -0.59 -1.64 0.00 0.00 178.16 176.05 1yel s PHE 32 N -3.42 -1.52 0.26 -3.82 -0.71 -1.10 -5.13 117.98 102.55 1yel s PHE 32 Ca -0.00 -0.50 -0.29 0.00 -1.04 0.00 0.00 56.93 55.10 1yel s PHE 32 Cb 0.11 0.30 -0.09 0.00 -1.21 0.00 0.00 43.02 42.13 1yel s PHE 32 CO 0.74 -1.19 0.96 -2.14 -1.34 0.00 0.00 175.22 172.25 1yel s PRO 33 N 0.92 4.79 0.09 1.99 0.02 -0.78 -4.89 135.00 137.15 1yel s PRO 33 Ca 0.29 1.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 1yel s PRO 33 Cb 0.01 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.34 1yel s PRO 33 CO -0.06 0.45 0.28 0.00 -0.33 0.00 0.00 177.00 177.35 1yel s ALA 34 N -1.24 -0.55 0.53 -1.55 0.00 -1.26 -5.12 121.76 112.58 1yel s ALA 34 Ca 0.43 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 1yel s ALA 34 Cb -0.26 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.34 1yel s ALA 34 CO 0.32 -0.54 1.24 -2.30 0.00 0.00 0.00 175.76 174.48 1yel n PRO 35 N -0.02 1.53 -2.10 0.00 -0.02 -1.26 -4.87 135.00 128.26 1yel n PRO 35 Ca -0.16 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 1yel n PRO 35 Cb 0.62 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1yel n PRO 35 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1yel s PHE 36 N -1.32 2.12 0.65 6.00 -0.12 -1.26 -4.98 117.98 119.07 1yel s PHE 36 Ca 0.71 0.46 -0.11 0.00 -0.05 0.00 0.00 56.93 57.93 1yel s PHE 36 Cb -0.44 -3.90 -0.02 0.00 -0.63 0.00 0.00 43.02 38.03 1yel s PHE 36 CO 0.50 -3.18 1.04 -1.25 -0.05 0.00 0.00 175.22 172.28 1yel s PRO 37 N 4.32 3.30 0.02 1.99 0.04 -1.24 -4.95 135.00 138.47 1yel s PRO 37 Ca 0.71 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1yel s PRO 37 Cb -0.28 -2.04 -0.32 0.00 0.04 0.00 0.00 34.50 31.90 1yel s PRO 37 CO 0.28 -0.81 1.01 0.82 0.04 0.00 0.00 177.00 178.34 1yel h ILE 38 N -0.47 1.34 -3.97 0.56 1.08 -1.94 -3.40 117.51 110.72 1yel h ILE 38 Ca -0.44 -2.56 -0.24 0.00 -0.39 0.00 0.00 64.86 61.23 1yel h ILE 38 Cb 1.20 2.96 -0.21 0.00 -3.07 0.00 0.00 36.82 37.71 1yel h ILE 38 CO 0.60 0.76 -0.72 0.42 -0.69 0.00 0.00 178.15 178.51 1yel s THR 39 N -2.70 0.44 0.14 -0.27 -4.23 -1.26 -4.38 115.64 103.37 1yel s THR 39 Ca -0.10 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1yel s THR 39 Cb 0.04 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1yel s THR 39 CO 0.91 -0.44 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.77 1yel s VAL 40 N -1.52 1.07 -0.03 2.29 1.01 0.20 -4.89 120.40 118.52 1yel s VAL 40 Ca -0.10 -2.04 0.01 0.00 0.00 0.00 0.00 61.98 59.85 1yel s VAL 40 Cb -0.09 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1yel s VAL 40 CO -0.00 -0.77 -0.03 -0.62 0.00 0.00 0.00 175.10 173.68 1yel s ASP 41 N -3.14 0.69 -0.12 3.32 2.15 -1.19 0.34 116.67 118.72 1yel s ASP 41 Ca 0.16 -0.08 -0.02 0.00 0.43 0.00 0.00 52.55 53.03 1yel s ASP 41 Cb 0.03 -0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.30 1yel s ASP 41 CO -0.00 -0.06 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.13 1yel s LEU 42 N 0.83 3.22 -0.04 -1.34 1.43 0.85 -2.09 118.68 121.53 1yel s LEU 42 Ca -0.10 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1yel s LEU 42 Cb -0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1yel s LEU 42 CO -0.00 0.25 0.09 -0.76 0.23 0.00 0.00 176.35 176.15 1yel s LEU 43 N -0.10 3.99 0.07 1.79 2.01 0.53 -0.81 118.68 126.17 1yel s LEU 43 Ca 0.02 0.24 0.06 0.00 0.01 0.00 0.00 54.13 54.46 1yel s LEU 43 Cb -0.13 -2.18 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 1yel s LEU 43 CO 0.03 0.32 -0.10 -0.62 1.01 0.00 0.00 176.35 176.98 1yel s ASP 44 N -1.45 4.36 0.61 2.29 2.15 0.50 -0.28 116.67 124.85 1yel s ASP 44 Ca 0.20 -0.33 0.34 0.00 0.43 0.00 0.00 52.55 53.19 1yel s ASP 44 Cb -0.12 -0.86 1.97 0.00 -0.30 0.00 0.00 42.92 43.60 1yel s ASP 44 CO 0.10 0.22 2.28 0.22 -0.17 0.00 0.00 175.17 177.82 1yel h TYR 45 N 3.99 0.00 0.00 -5.34 3.20 -1.86 -0.09 116.97 116.87 1yel h TYR 45 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1yel h TYR 45 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1yel h TYR 45 CO 0.58 0.01 -0.02 0.45 -1.64 0.00 0.00 178.16 177.54 1yel n SER 46 N -3.63 0.47 0.00 -2.11 2.88 -1.26 -4.87 113.62 105.10 1yel n SER 46 Ca -0.03 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1yel n SER 46 Cb 0.09 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 1.39 0.90 3.86 0.46 0.00 -0.05 -5.10 105.19 106.65 1yel n GLY 47 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1yel n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yel s ARG 48 N -0.34 3.75 -0.15 1.61 0.52 -1.22 -4.87 118.95 118.26 1yel s ARG 48 Ca 0.00 0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 55.89 1yel s ARG 48 Cb 0.00 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.38 1yel s ARG 48 CO 0.00 -0.40 0.38 -1.54 0.02 0.00 0.00 175.30 173.76 1yel s SER 49 N -3.66 -0.42 -0.08 0.23 1.04 -1.26 -0.37 113.70 109.18 1yel s SER 49 Ca 0.56 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.81 1yel s SER 49 Cb -0.10 0.75 0.01 0.00 0.10 0.00 0.00 66.02 66.77 1yel s SER 49 CO 0.43 -0.15 -0.18 0.26 0.98 0.00 0.00 173.24 174.58 1yel s TRP 50 N 0.58 1.98 -0.36 5.02 0.51 0.01 -4.95 118.94 121.73 1yel s TRP 50 Ca -0.03 -0.76 -0.21 0.00 -2.12 0.00 0.00 56.10 52.98 1yel s TRP 50 Cb -0.05 -1.37 0.00 0.00 -0.81 0.00 0.00 33.47 31.25 1yel s TRP 50 CO -0.04 -0.33 0.67 0.99 -0.51 0.00 0.00 176.95 177.74 1yel s THR 51 N 0.46 4.85 0.21 2.01 2.01 -1.26 -0.10 115.64 123.82 1yel s THR 51 Ca -0.16 0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.58 1yel s THR 51 Cb -0.16 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1yel s THR 51 CO 0.06 -0.35 -0.01 0.68 -0.69 0.00 0.00 174.62 174.31 1yel s VAL 52 N 2.81 3.56 -0.27 3.82 -7.23 0.15 -4.61 120.40 118.64 1yel s VAL 52 Ca 0.26 -1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 58.69 1yel s VAL 52 Cb -0.14 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1yel s VAL 52 CO 0.15 -0.22 0.14 -0.13 -0.31 0.00 0.00 175.10 174.73 1yel s ARG 53 N -3.23 3.81 -0.12 4.82 0.52 -0.90 0.58 118.95 124.43 1yel s ARG 53 Ca 0.29 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 1yel s ARG 53 Cb -0.08 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.90 1yel s ARG 53 CO 0.19 -0.19 -0.15 1.41 0.02 0.00 0.00 175.30 176.58 1yel s MET 54 N 1.69 2.30 0.13 3.54 1.75 -1.26 -0.18 119.30 127.27 1yel s MET 54 Ca 0.07 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.93 1yel s MET 54 Cb -0.16 -1.99 -0.04 0.00 2.84 0.00 0.00 34.83 35.48 1yel s MET 54 CO 0.08 -0.11 -0.01 0.15 -0.65 0.00 0.00 175.02 174.47 1yel s LYS 55 N 1.13 0.93 -0.11 4.11 1.02 -0.58 -3.73 119.74 122.50 1yel s LYS 55 Ca -0.03 -1.42 -0.21 0.00 0.02 0.00 0.00 55.97 54.33 1yel s LYS 55 Cb -0.14 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.04 1yel s LYS 55 CO -0.04 -0.12 0.62 0.15 -0.92 0.00 0.00 175.35 175.04 1yel s LYS 56 N -3.92 4.36 -0.30 1.68 -0.14 -1.26 -0.91 119.74 119.25 1yel s LYS 56 Ca 0.18 0.69 -0.01 0.00 -1.36 0.00 0.00 55.97 55.48 1yel s LYS 56 Cb 0.06 -3.47 0.10 0.00 -1.68 0.00 0.00 37.83 32.84 1yel s LYS 56 CO -0.01 0.03 0.09 0.50 -0.76 0.00 0.00 175.35 175.20 1yel s ARG 57 N 0.98 0.75 6.44 1.68 3.00 1.00 -4.90 118.95 127.90 1yel s ARG 57 Ca 0.32 -1.07 0.00 0.00 -1.00 0.00 0.00 55.73 53.98 1yel s ARG 57 Cb -0.16 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.74 1yel s ARG 57 CO 0.14 -0.96 0.00 0.41 0.00 0.00 0.00 175.30 174.89 1yel n GLY 58 N 4.83 1.85 0.16 8.12 0.00 -1.26 -2.19 105.19 116.70 1yel n GLY 58 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1yel n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yel n GLU 59 N 2.76 2.60 -4.12 1.61 2.13 -1.26 -5.02 120.64 119.34 1yel n GLU 59 Ca 0.00 -0.44 -0.25 0.00 0.66 0.00 0.00 57.16 57.13 1yel n GLU 59 Cb 0.00 -1.01 -0.07 0.00 0.27 0.00 0.00 31.44 30.63 1yel n GLU 59 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1yel s LYS 60 N -1.35 2.23 -0.18 5.31 -2.85 -0.93 -4.90 119.74 117.08 1yel s LYS 60 Ca 0.06 -1.86 -0.04 0.00 -1.00 0.00 0.00 55.97 53.13 1yel s LYS 60 Cb 0.07 -1.98 -0.03 0.00 -2.06 0.00 0.00 37.83 33.83 1yel s LYS 60 CO 0.24 -0.15 -0.01 0.08 0.10 0.00 0.00 175.35 175.61 1yel s VAL 61 N -2.61 3.96 -0.07 1.79 1.01 -1.25 -0.00 120.40 123.22 1yel s VAL 61 Ca 0.40 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1yel s VAL 61 Cb 0.03 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1yel s VAL 61 CO 0.22 0.46 -0.15 0.12 0.00 0.00 0.00 175.10 175.75 1yel s PHE 62 N 0.68 1.71 -0.26 5.22 5.36 -0.09 -2.78 117.98 127.82 1yel s PHE 62 Ca -0.01 -0.63 -0.09 0.00 -0.96 0.00 0.00 56.93 55.24 1yel s PHE 62 Cb -0.14 -1.21 -0.04 0.00 -0.34 0.00 0.00 43.02 41.29 1yel s PHE 62 CO 0.02 -0.29 0.12 -1.17 -1.46 0.00 0.00 175.22 172.44 1yel s LEU 63 N 0.53 3.74 0.00 6.12 0.20 -0.21 -1.53 118.68 127.53 1yel s LEU 63 Ca -0.14 -0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.59 1yel s LEU 63 Cb -0.16 -2.02 0.00 0.00 -0.43 0.00 0.00 46.19 43.59 1yel s LEU 63 CO 0.05 -0.02 0.00 1.07 -0.29 0.00 0.00 176.35 177.16 1yel n THR 64 N 4.85 0.00 -1.64 3.68 5.66 0.75 0.15 114.28 127.72 1yel n THR 64 Ca -0.15 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.44 1yel n THR 64 Cb 0.52 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.31 1yel n THR 64 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1yel n VAL 65 N 0.00 2.63 0.00 1.08 0.31 -1.26 -3.45 118.33 117.63 1yel n VAL 65 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1yel n VAL 65 Cb 0.00 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1yel n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yel n GLY 66 N 1.06 3.59 0.26 2.92 0.00 -1.26 -2.11 105.19 109.64 1yel n GLY 66 Ca 0.09 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.83 -2.18 115.95 116.46 1yel h TRP 67 Ca 0.00 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 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 0.13 -0.27 1.49 -1.03 0.00 0.00 178.44 178.76 1yel h GLU 68 N 0.00 0.00 -0.24 2.65 4.81 -1.82 0.10 114.58 120.08 1yel h GLU 68 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1yel h GLU 68 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1yel h GLU 68 CO 0.02 0.27 -0.40 -0.91 -0.73 0.00 0.00 179.01 177.26 1yel h ASN 69 N 0.00 0.60 -0.01 1.04 2.35 -1.77 -1.02 115.58 116.77 1yel h ASN 69 Ca -0.00 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1yel h ASN 69 Cb 0.48 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1yel h ASN 69 CO 0.04 0.94 -0.01 0.15 -1.65 0.00 0.00 177.43 176.89 1yel h PHE 70 N 0.47 0.03 -0.29 1.19 3.04 -1.21 0.53 116.94 120.71 1yel h PHE 70 Ca 0.04 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1yel h PHE 70 Cb 0.90 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1yel h PHE 70 CO 0.04 0.45 -0.02 -0.24 -2.02 0.00 0.00 178.31 176.52 1yel h VAL 71 N -0.39 1.18 -0.04 1.41 3.04 -1.03 0.15 116.25 120.57 1yel h VAL 71 Ca 0.00 -0.72 -0.03 0.00 -1.01 0.00 0.00 66.70 64.95 1yel h VAL 71 Cb 0.44 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1yel h VAL 71 CO 0.00 0.24 -0.07 0.50 -1.01 0.00 0.00 177.57 177.23 1yel h LYS 72 N 0.42 0.12 -0.22 4.17 3.64 -1.02 -1.13 116.57 122.56 1yel h LYS 72 Ca 0.09 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 1yel h LYS 72 Cb 0.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1yel h LYS 72 CO 0.01 0.65 -0.66 -0.44 -2.27 0.00 0.00 179.45 176.74 1yel h ASP 73 N -0.39 0.93 0.15 4.20 3.32 0.62 -3.21 116.42 122.04 1yel h ASP 73 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1yel h ASP 73 Cb 0.64 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1yel h ASP 73 CO 0.02 1.35 -0.85 0.59 -1.72 0.00 0.00 179.24 178.63 1yel n ASN 74 N -3.97 0.85 -2.80 6.45 4.13 0.49 -5.04 115.26 115.36 1yel n ASN 74 Ca -0.06 -0.77 -0.02 0.00 1.68 0.00 0.00 54.58 55.41 1yel n ASN 74 Cb 0.69 0.77 -0.02 0.00 -1.54 0.00 0.00 39.78 39.68 1yel n ASN 74 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1yel n ASN 75 N -1.50 -5.09 -4.20 6.41 5.15 -0.46 -5.03 115.26 110.54 1yel n ASN 75 Ca 0.04 1.19 -0.30 0.00 -0.60 0.00 0.00 54.58 54.91 1yel n ASN 75 Cb 0.33 -4.21 -0.16 0.00 -0.53 0.00 0.00 39.78 35.21 1yel n ASN 75 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1yel s LEU 76 N -0.97 2.00 0.38 1.20 1.02 -1.03 -5.03 118.68 116.25 1yel s LEU 76 Ca -0.10 -0.47 0.06 0.00 0.02 0.00 0.00 54.13 53.64 1yel s LEU 76 Cb 0.01 -1.24 -0.07 0.00 0.02 0.00 0.00 46.19 44.91 1yel s LEU 76 CO 0.56 0.19 0.03 -1.83 0.02 0.00 0.00 176.35 175.31 1yel s GLU 77 N 0.06 1.84 0.41 1.70 1.03 -1.26 -4.93 118.70 117.55 1yel s GLU 77 Ca -0.08 -2.04 -0.27 0.00 0.03 0.00 0.00 54.97 52.62 1yel s GLU 77 Cb -0.14 -1.35 -0.10 0.00 -0.80 0.00 0.00 34.13 31.75 1yel s GLU 77 CO 0.04 -0.10 1.45 0.16 -1.33 0.00 0.00 175.26 175.49 1yel s ASP 78 N -3.62 6.10 0.00 0.83 -4.77 -1.26 -3.29 116.67 110.66 1yel s ASP 78 Ca 0.36 2.98 0.00 0.00 -3.30 0.00 0.00 52.55 52.58 1yel s ASP 78 Cb 0.10 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1yel s ASP 78 CO 0.17 -1.03 0.00 0.61 0.70 0.00 0.00 175.17 175.62 1yel n GLY 79 N 0.52 0.51 3.85 2.12 0.00 -1.19 -4.99 105.19 106.02 1yel n GLY 79 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 3.94 -0.01 1.61 1.02 -1.21 -4.87 119.74 120.22 1yel s LYS 80 Ca 0.00 0.89 0.07 0.00 0.02 0.00 0.00 55.97 56.96 1yel s LYS 80 Cb 0.00 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1yel s LYS 80 CO 0.00 -0.23 -0.23 0.71 -0.92 0.00 0.00 175.35 174.68 1yel s TYR 81 N -2.58 2.03 0.03 3.18 1.51 -1.26 -0.21 117.35 120.06 1yel s TYR 81 Ca 0.58 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 56.33 1yel s TYR 81 Cb -0.10 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1yel s TYR 81 CO 0.31 -0.01 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.02 1yel s LEU 82 N -0.64 2.15 -0.06 -1.29 1.02 -0.92 0.06 118.68 119.00 1yel s LEU 82 Ca 0.09 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.78 1yel s LEU 82 Cb -0.09 -0.99 -0.02 0.00 0.02 0.00 0.00 46.19 45.11 1yel s LEU 82 CO -0.00 0.18 -0.18 0.00 0.02 0.00 0.00 176.35 176.36 1yel s GLN 83 N -1.07 2.61 -0.24 1.70 -2.07 0.43 -1.97 119.66 119.04 1yel s GLN 83 Ca 0.08 -0.77 -0.04 0.00 -1.82 0.00 0.00 55.36 52.80 1yel s GLN 83 Cb -0.09 -2.33 0.00 0.00 -1.09 0.00 0.00 33.01 29.51 1yel s GLN 83 CO 0.01 0.49 -0.02 -0.06 -1.32 0.00 0.00 175.29 174.40 1yel s PHE 84 N -0.41 3.03 -0.35 9.60 0.40 0.32 -1.03 117.98 129.55 1yel s PHE 84 Ca 0.04 -1.09 -0.15 0.00 -0.60 0.00 0.00 56.93 55.13 1yel s PHE 84 Cb -0.12 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 1yel s PHE 84 CO 0.02 -0.60 0.35 0.42 0.70 0.00 0.00 175.22 176.11 1yel s ILE 85 N 1.45 5.18 0.14 0.64 1.01 0.37 -1.47 121.20 128.52 1yel s ILE 85 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.69 1yel s ILE 85 Cb -0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1yel s ILE 85 CO -0.02 -0.11 -0.12 -0.72 0.00 0.00 0.00 174.94 173.97 1yel s TYR 86 N 1.97 1.33 -0.28 3.97 1.13 0.64 -1.19 117.35 124.92 1yel s TYR 86 Ca 0.11 -0.66 0.11 0.00 -1.41 0.00 0.00 57.07 55.21 1yel s TYR 86 Cb -0.17 -0.68 0.60 0.00 -1.10 0.00 0.00 41.96 40.61 1yel s TYR 86 CO 0.12 0.12 1.59 -0.25 -2.51 0.00 0.00 175.55 174.62 1yel n ASP 87 N 0.09 3.71 -0.12 -0.18 8.00 -1.26 -0.83 116.55 125.95 1yel n ASP 87 Ca -0.12 -3.37 -0.02 0.00 0.71 0.00 0.00 54.79 51.99 1yel n ASP 87 Cb 0.59 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.66 -0.40 0.00 -1.24 3.00 -1.26 -4.86 116.66 111.24 1yel n ARG 88 Ca 0.34 0.30 0.00 0.00 -0.01 0.00 0.00 57.85 58.48 1yel n ARG 88 Cb 1.15 -3.76 0.00 0.00 0.00 0.00 0.00 32.46 29.85 1yel n ARG 88 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1yel n ASP 89 N 0.29 0.00 -1.23 0.55 5.75 -1.26 -5.02 116.55 115.63 1yel n ASP 89 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.85 1yel n ASP 89 Cb 0.12 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.51 1yel n ASP 89 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yel n ARG 90 N 0.00 3.45 -5.21 0.11 3.00 -1.26 -4.90 116.66 111.85 1yel n ARG 90 Ca 0.00 -2.74 -0.30 0.00 -0.01 0.00 0.00 57.85 54.81 1yel n ARG 90 Cb 0.00 -1.79 -0.16 0.00 0.00 0.00 0.00 32.46 30.51 1yel n ARG 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1yel s THR 91 N -2.03 1.91 -0.03 0.55 -1.32 -1.26 -3.15 115.64 110.30 1yel s THR 91 Ca 0.43 -1.03 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 1yel s THR 91 Cb 0.30 -1.58 -0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1yel s THR 91 CO 0.18 0.54 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.62 1yel s PHE 92 N -0.55 1.44 -0.26 9.09 0.40 -0.89 -4.54 117.98 122.67 1yel s PHE 92 Ca 0.09 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 1yel s PHE 92 Cb -0.09 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.43 1yel s PHE 92 CO -0.01 -0.12 0.42 0.71 0.70 0.00 0.00 175.22 176.92 1yel s TYR 93 N -0.01 3.26 -0.29 0.36 2.02 -0.33 -0.35 117.35 122.02 1yel s TYR 93 Ca -0.01 0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 57.09 1yel s TYR 93 Cb -0.09 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.83 1yel s TYR 93 CO 0.01 -0.23 0.14 0.08 -1.57 0.00 0.00 175.55 173.99 1yel s VAL 94 N 2.08 4.70 -0.17 0.71 1.01 0.61 -0.48 120.40 128.86 1yel s VAL 94 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1yel s VAL 94 Cb -0.16 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1yel s VAL 94 CO 0.09 0.18 -0.12 -0.63 0.00 0.00 0.00 175.10 174.62 1yel s ILE 95 N 1.65 2.95 -0.00 2.22 1.01 -0.19 -4.33 121.20 124.50 1yel s ILE 95 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1yel s ILE 95 Cb -0.16 -2.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1yel s ILE 95 CO 0.07 0.49 0.38 -0.63 0.00 0.00 0.00 174.94 175.25 1yel s ILE 96 N 0.94 5.09 0.19 2.92 1.09 -1.26 -0.43 121.20 129.74 1yel s ILE 96 Ca -0.02 0.72 -0.23 0.00 -1.10 0.00 0.00 60.65 60.02 1yel s ILE 96 Cb -0.15 -3.67 -0.08 0.00 -1.06 0.00 0.00 42.46 37.50 1yel s ILE 96 CO -0.01 0.55 0.77 -0.31 -0.10 0.00 0.00 174.94 175.83 1yel s TYR 97 N -1.12 3.81 0.00 3.97 2.02 0.11 -4.97 117.35 121.17 1yel s TYR 97 Ca 0.24 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.50 1yel s TYR 97 Cb -0.16 -2.72 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1yel s TYR 97 CO 0.13 0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 1yel n GLY 98 N 1.24 1.64 0.13 0.71 0.00 -1.26 -4.41 105.19 103.24 1yel n GLY 98 Ca -0.04 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 1yel n GLY 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yel n HIS 99 N -1.40 0.17 -3.15 1.61 -0.00 -1.26 -4.92 115.22 106.26 1yel n HIS 99 Ca 0.00 0.06 0.04 0.00 0.46 0.00 0.00 57.72 58.28 1yel n HIS 99 Cb 0.00 -1.02 -0.00 0.00 -0.12 0.00 0.00 29.99 28.85 1yel n HIS 99 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1yel s ASN 100 N -7.19 -1.61 -0.16 0.26 2.47 -1.26 -5.12 114.94 102.32 1yel s ASN 100 Ca -0.36 0.24 -0.29 0.00 0.42 0.00 0.00 52.86 52.87 1yel s ASN 100 Cb 0.12 2.05 -0.05 0.00 -1.45 0.00 0.00 41.25 41.91 1yel s ASN 100 CO 0.54 -0.30 2.05 -0.04 -3.72 0.00 0.00 177.10 175.63 1yel s MET 101 N 2.83 3.49 0.00 0.43 -1.94 -1.26 -5.27 119.30 117.58 1yel s MET 101 Ca 0.11 2.09 0.00 0.00 -1.71 0.00 0.00 55.69 56.18 1yel s MET 101 Cb -0.10 -4.27 0.00 0.00 2.01 0.00 0.00 34.83 32.47 1yel s MET 101 CO -0.26 -1.69 0.00 0.00 -0.01 0.00 0.00 175.02 173.06