#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 3.15 -0.28 -5.12 0.00 -1.26 -4.99 121.76 113.27 1yel s ALA 2 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 49.61 1yel s ALA 2 Cb 0.00 -2.43 0.16 0.00 0.00 0.00 0.00 23.12 20.85 1yel s ALA 2 CO 0.00 -1.71 0.46 0.34 0.00 0.00 0.00 175.76 174.86 1yel s ASP 3 N 1.88 -0.32 0.03 0.00 2.15 -1.26 -5.04 116.67 114.11 1yel s ASP 3 Ca 0.05 0.20 -0.20 0.00 0.43 0.00 0.00 52.55 53.03 1yel s ASP 3 Cb -0.23 1.47 -0.17 0.00 -0.30 0.00 0.00 42.92 43.69 1yel s ASP 3 CO -0.02 -0.31 1.25 0.74 -0.17 0.00 0.00 175.17 176.66 1yel h THR 4 N 6.11 1.39 0.00 1.71 2.02 -1.96 -3.49 112.91 118.69 1yel h THR 4 Ca -0.15 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1yel h THR 4 Cb 1.15 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1yel h THR 4 CO 0.25 0.48 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1yel n GLY 5 N 0.55 4.58 3.01 2.16 0.00 -1.26 -4.70 105.19 109.53 1yel n GLY 5 Ca -0.07 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1yel n GLY 5 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yel s GLU 6 N -4.33 0.55 -0.08 1.61 2.12 -1.24 -4.29 118.70 113.03 1yel s GLU 6 Ca 0.00 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 1yel s GLU 6 Cb 0.00 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1yel s GLU 6 CO 0.00 -1.08 -0.02 0.14 -0.54 0.00 0.00 175.26 173.75 1yel s VAL 7 N 2.37 4.08 0.03 3.70 -7.23 -0.97 -4.94 120.40 117.44 1yel s VAL 7 Ca 0.12 -0.33 0.07 0.00 -1.81 0.00 0.00 61.98 60.03 1yel s VAL 7 Cb -0.11 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1yel s VAL 7 CO -0.22 0.60 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.85 1yel s GLN 8 N -0.77 1.52 0.01 4.82 -0.21 -1.26 -0.28 119.66 123.49 1yel s GLN 8 Ca 0.12 -0.94 -0.12 0.00 0.02 0.00 0.00 55.36 54.44 1yel s GLN 8 Cb -0.11 -1.61 0.01 0.00 1.00 0.00 0.00 33.01 32.30 1yel s GLN 8 CO 0.02 0.42 0.26 0.12 -2.12 0.00 0.00 175.29 173.98 1yel s PHE 9 N -0.75 -0.08 0.01 0.91 5.36 0.17 -4.98 117.98 118.61 1yel s PHE 9 Ca 0.08 0.03 0.08 0.00 -0.96 0.00 0.00 56.93 56.16 1yel s PHE 9 Cb -0.09 0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1yel s PHE 9 CO 0.01 -0.40 -0.25 0.00 -1.46 0.00 0.00 175.22 173.12 1yel s MET 10 N -1.82 1.87 -0.04 10.12 0.23 -1.26 0.27 119.30 128.67 1yel s MET 10 Ca -0.10 -0.95 0.01 0.00 -1.03 0.00 0.00 55.69 53.61 1yel s MET 10 Cb -0.04 -1.89 0.02 0.00 -1.53 0.00 0.00 34.83 31.39 1yel s MET 10 CO 0.01 0.51 -0.02 0.21 -2.03 0.00 0.00 175.02 173.69 1yel s LYS 11 N -0.83 0.58 0.10 3.16 2.47 -0.43 -4.97 119.74 119.82 1yel s LYS 11 Ca 0.10 -0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.19 1yel s LYS 11 Cb -0.10 -0.68 -0.05 0.00 -1.46 0.00 0.00 37.83 35.54 1yel s LYS 11 CO 0.00 -0.11 0.98 -2.14 0.16 0.00 0.00 175.35 174.24 1yel s PRO 12 N 0.99 4.67 -0.11 4.03 0.02 -1.26 -1.72 135.00 141.62 1yel s PRO 12 Ca -0.10 1.47 -0.05 0.00 0.02 0.00 0.00 61.00 62.33 1yel s PRO 12 Cb -0.14 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1yel s PRO 12 CO -0.01 0.16 0.09 -0.06 -0.33 0.00 0.00 177.00 176.85 1yel s PHE 13 N 0.15 3.42 -0.37 6.54 0.40 -1.05 -5.02 117.98 122.05 1yel s PHE 13 Ca 0.48 0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 57.09 1yel s PHE 13 Cb -0.23 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.43 1yel s PHE 13 CO 0.30 0.61 0.20 0.42 0.70 0.00 0.00 175.22 177.45 1yel s ILE 14 N -0.88 4.53 0.51 0.64 1.01 -1.26 -3.53 121.20 122.22 1yel s ILE 14 Ca 0.14 -0.87 0.20 0.00 0.00 0.00 0.00 60.65 60.11 1yel s ILE 14 Cb -0.12 -3.53 0.33 0.00 0.01 0.00 0.00 42.46 39.15 1yel s ILE 14 CO 0.03 -0.23 2.07 -1.28 0.00 0.00 0.00 174.94 175.53 1yel h SER 15 N 8.42 0.04 -0.40 3.58 0.87 -1.91 0.18 113.55 124.34 1yel h SER 15 Ca -0.25 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1yel h SER 15 Cb 1.10 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1yel h SER 15 CO 0.66 0.03 0.25 -0.08 -0.53 0.00 0.00 176.83 177.17 1yel h GLU 16 N 0.05 0.55 0.00 2.24 4.81 -1.98 -0.28 114.58 119.97 1yel h GLU 16 Ca 0.14 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 59.01 1yel h GLU 16 Cb 0.48 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 1yel h GLU 16 CO -0.01 0.38 -2.18 1.63 -0.73 0.00 0.00 179.01 178.11 1yel n LYS 17 N -4.46 1.19 0.04 1.92 5.02 -0.40 -4.31 118.16 117.16 1yel n LYS 17 Ca 0.03 -0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1yel n LYS 17 Cb 0.07 -1.44 0.36 0.00 -0.02 0.00 0.00 35.03 34.01 1yel n LYS 17 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1yel n SER 18 N -2.63 0.18 0.23 4.39 2.88 0.50 -1.03 113.62 118.14 1yel n SER 18 Ca -0.28 0.54 0.07 0.00 -1.33 0.00 0.00 58.87 57.88 1yel n SER 18 Cb 1.06 -0.58 0.60 0.00 -0.75 0.00 0.00 64.21 64.53 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 0.05 0.00 -3.46 4.64 -1.24 -3.34 113.55 110.20 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 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1yel h SER 19 CO 0.00 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 1yel n LYS 20 N -4.50 1.32 -3.62 4.77 4.76 -0.97 -4.56 118.16 115.36 1yel n LYS 20 Ca -0.02 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.26 1yel n LYS 20 Cb 0.11 -0.11 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1yel n LYS 20 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1yel s SER 21 N -0.19 -0.59 -0.28 4.39 1.04 -0.19 -3.96 113.70 113.91 1yel s SER 21 Ca 0.00 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.21 1yel s SER 21 Cb 0.00 0.87 -0.05 0.00 0.10 0.00 0.00 66.02 66.94 1yel s SER 21 CO 0.00 -0.40 0.22 -0.22 0.98 0.00 0.00 173.24 173.82 1yel s LEU 22 N -0.46 4.07 -0.22 2.42 0.20 0.15 -3.34 118.68 121.50 1yel s LEU 22 Ca -0.06 -0.01 -0.20 0.00 0.69 0.00 0.00 54.13 54.54 1yel s LEU 22 Cb -0.03 -2.16 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 1yel s LEU 22 CO 0.05 -0.09 0.61 -1.83 -0.29 0.00 0.00 176.35 174.80 1yel s GLU 23 N 1.80 4.17 -0.22 1.98 -1.05 -1.26 -1.91 118.70 122.21 1yel s GLU 23 Ca 0.08 0.56 -0.15 0.00 -0.15 0.00 0.00 54.97 55.31 1yel s GLU 23 Cb -0.16 -3.60 -0.04 0.00 -0.44 0.00 0.00 34.13 29.89 1yel s GLU 23 CO 0.11 -0.28 0.35 0.42 0.95 0.00 0.00 175.26 176.81 1yel s ILE 24 N 2.07 5.22 0.19 1.83 -1.09 -1.25 -5.04 121.20 123.12 1yel s ILE 24 Ca 0.27 0.60 -0.33 0.00 -2.23 0.00 0.00 60.65 58.96 1yel s ILE 24 Cb -0.16 -3.68 -0.15 0.00 -1.58 0.00 0.00 42.46 36.89 1yel s ILE 24 CO 0.10 0.25 1.27 -2.65 -1.23 0.00 0.00 174.94 172.69 1yel n PRO 25 N 4.56 1.49 -0.26 2.79 -0.02 -1.26 -4.76 135.00 137.54 1yel n PRO 25 Ca -0.09 0.53 -0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1yel n PRO 25 Cb 0.51 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.97 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 3.85 0.74 -1.38 2.45 6.46 -1.97 0.27 115.31 125.72 1yel h LEU 26 Ca -0.44 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 1yel h LEU 26 Cb 1.32 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1yel h LEU 26 CO 0.73 0.51 -0.12 1.23 -0.62 0.00 0.00 178.44 180.17 1yel h GLY 27 N 0.88 0.28 1.33 3.75 0.00 -1.99 0.28 103.07 107.61 1yel h GLY 27 Ca 0.29 -0.17 -0.30 0.00 0.00 0.00 0.00 47.33 47.15 1yel h GLY 27 CO -0.11 0.16 -1.46 -2.75 0.00 0.00 0.00 176.54 172.38 1yel h PHE 28 N 0.25 0.53 -0.65 5.60 3.57 -1.73 -3.21 116.94 121.30 1yel h PHE 28 Ca 0.05 -0.39 0.01 0.00 3.53 0.00 0.00 57.97 61.17 1yel h PHE 28 Cb 0.37 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1yel h PHE 28 CO 0.01 1.39 0.43 -0.97 -2.23 0.00 0.00 178.31 176.94 1yel h ASN 29 N 0.08 0.74 0.24 0.41 -1.24 -0.01 -1.95 115.58 113.85 1yel h ASN 29 Ca -0.22 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 1yel h ASN 29 Cb 2.02 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 40.89 1yel h ASN 29 CO 0.19 0.54 -0.03 -0.08 -1.29 0.00 0.00 177.43 176.75 1yel h GLU 30 N 0.88 0.00 0.00 6.67 4.81 -0.52 -2.06 114.58 124.35 1yel h GLU 30 Ca 0.24 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1yel h GLU 30 Cb -0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1yel h GLU 30 CO -0.06 0.03 -0.53 -0.92 -0.73 0.00 0.00 179.01 176.81 1yel h TYR 31 N 0.00 0.00 -2.91 0.92 3.20 -1.35 -3.40 116.97 113.42 1yel h TYR 31 Ca -0.00 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.28 1yel h TYR 31 Cb 0.16 0.00 -0.40 0.00 1.54 0.00 0.00 36.73 38.03 1yel h TYR 31 CO 0.00 0.53 -0.78 -0.59 -1.64 0.00 0.00 178.16 175.68 1yel s PHE 32 N -3.29 1.41 0.12 -3.82 -0.71 -0.77 -5.10 117.98 105.82 1yel s PHE 32 Ca 0.01 -1.86 -0.28 0.00 -1.04 0.00 0.00 56.93 53.76 1yel s PHE 32 Cb 0.10 -1.49 -0.07 0.00 -1.21 0.00 0.00 43.02 40.36 1yel s PHE 32 CO 0.73 -0.83 0.89 -2.14 -1.34 0.00 0.00 175.22 172.53 1yel s PRO 33 N 1.08 4.66 0.02 1.99 0.02 -1.26 -4.93 135.00 136.59 1yel s PRO 33 Ca 0.15 1.33 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 1yel s PRO 33 Cb -0.21 -3.34 0.03 0.00 0.02 0.00 0.00 34.50 30.99 1yel s PRO 33 CO -0.10 0.33 0.36 0.00 -0.33 0.00 0.00 177.00 177.26 1yel s ALA 34 N -0.36 -0.88 0.74 -1.55 0.00 -1.26 -5.15 121.76 113.31 1yel s ALA 34 Ca 0.43 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 1yel s ALA 34 Cb -0.23 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1yel s ALA 34 CO 0.28 -0.39 1.20 -1.25 0.00 0.00 0.00 175.76 175.61 1yel s PRO 35 N -2.15 2.05 0.04 0.00 0.04 -1.26 -4.91 135.00 128.82 1yel s PRO 35 Ca -0.08 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 1yel s PRO 35 Cb -0.02 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1yel s PRO 35 CO -0.00 -1.90 1.47 -0.59 0.04 0.00 0.00 177.00 176.02 1yel s PHE 36 N -2.04 2.81 0.49 0.56 -0.71 -1.26 -4.94 117.98 112.89 1yel s PHE 36 Ca 0.74 0.70 -0.05 0.00 -1.04 0.00 0.00 56.93 57.28 1yel s PHE 36 Cb -0.29 -3.75 -0.03 0.00 -1.21 0.00 0.00 43.02 37.74 1yel s PHE 36 CO 0.46 -2.84 0.79 -1.25 -1.34 0.00 0.00 175.22 171.04 1yel s PRO 37 N 2.21 3.47 -0.13 1.99 0.04 -1.26 -5.02 135.00 136.31 1yel s PRO 37 Ca 0.67 0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.79 1yel s PRO 37 Cb -0.35 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1yel s PRO 37 CO 0.29 -0.25 -0.05 0.82 0.04 0.00 0.00 177.00 177.85 1yel h ILE 38 N 0.20 0.11 -3.92 0.56 1.08 -1.95 -3.42 117.51 110.17 1yel h ILE 38 Ca -0.47 -1.11 -0.30 0.00 -0.39 0.00 0.00 64.86 62.59 1yel h ILE 38 Cb 1.21 0.23 -0.20 0.00 -3.07 0.00 0.00 36.82 34.99 1yel h ILE 38 CO 0.61 0.04 -0.74 0.42 -0.69 0.00 0.00 178.15 177.79 1yel s THR 39 N -1.97 0.71 0.06 -0.27 -4.23 -1.26 -3.46 115.64 105.22 1yel s THR 39 Ca -0.10 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1yel s THR 39 Cb 0.01 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1yel s THR 39 CO 0.17 -0.43 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.97 1yel s VAL 40 N -1.72 1.28 -0.10 2.29 1.01 0.11 -4.90 120.40 118.38 1yel s VAL 40 Ca -0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1yel s VAL 40 Cb -0.08 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1yel s VAL 40 CO 0.00 -0.08 -0.06 -1.81 0.00 0.00 0.00 175.10 173.16 1yel s ASP 41 N -1.53 4.71 -0.22 3.32 1.01 -1.21 0.11 116.67 122.86 1yel s ASP 41 Ca 0.02 -0.05 -0.06 0.00 0.71 0.00 0.00 52.55 53.17 1yel s ASP 41 Cb -0.09 -1.38 -0.02 0.00 1.01 0.00 0.00 42.92 42.43 1yel s ASP 41 CO 0.02 0.30 0.01 -0.76 0.21 0.00 0.00 175.17 174.96 1yel s LEU 42 N -0.45 3.25 -0.13 1.23 1.43 0.62 -2.43 118.68 122.19 1yel s LEU 42 Ca 0.07 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1yel s LEU 42 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1yel s LEU 42 CO 0.02 0.02 0.12 -0.76 0.23 0.00 0.00 176.35 175.98 1yel s LEU 43 N 1.26 4.23 -0.06 1.79 2.01 0.83 -0.83 118.68 127.90 1yel s LEU 43 Ca 0.04 0.37 0.03 0.00 0.01 0.00 0.00 54.13 54.57 1yel s LEU 43 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 1yel s LEU 43 CO 0.01 0.35 -0.13 -0.62 1.01 0.00 0.00 176.35 176.98 1yel s ASP 44 N -0.70 4.15 0.65 2.29 2.15 0.31 -0.33 116.67 125.18 1yel s ASP 44 Ca 0.13 -0.17 0.39 0.00 0.43 0.00 0.00 52.55 53.32 1yel s ASP 44 Cb -0.12 -0.96 2.15 0.00 -0.30 0.00 0.00 42.92 43.70 1yel s ASP 44 CO 0.03 0.34 2.27 0.10 -0.17 0.00 0.00 175.17 177.74 1yel h TYR 45 N 5.41 0.00 0.00 -5.34 -0.00 -1.85 -0.49 116.97 114.70 1yel h TYR 45 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.27 1yel h TYR 45 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 1yel h TYR 45 CO 0.51 0.00 -0.39 0.45 -0.00 0.00 0.00 178.16 178.73 1yel n SER 46 N -3.29 0.59 0.00 0.10 2.88 -1.26 -4.92 113.62 107.72 1yel n SER 46 Ca -0.02 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1yel n SER 46 Cb 0.13 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 1.14 3.90 0.46 0.00 -0.19 -5.13 105.19 106.75 1yel n GLY 47 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 3.62 -0.05 1.61 0.52 -1.23 -4.88 118.95 118.53 1yel s ARG 48 Ca 0.00 0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 1yel s ARG 48 Cb 0.00 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 33.06 1yel s ARG 48 CO 0.00 -0.08 0.12 -1.54 0.02 0.00 0.00 175.30 173.82 1yel s SER 49 N -3.71 -0.10 -0.15 0.23 1.04 -1.26 -0.53 113.70 109.21 1yel s SER 49 Ca 0.48 0.24 -0.00 0.00 0.48 0.00 0.00 55.95 57.14 1yel s SER 49 Cb -0.10 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1yel s SER 49 CO 0.39 -0.08 -0.13 0.26 0.98 0.00 0.00 173.24 174.66 1yel s TRP 50 N 0.48 2.82 -0.36 5.02 0.51 -0.01 -4.93 118.94 122.47 1yel s TRP 50 Ca -0.03 -0.85 -0.22 0.00 -2.12 0.00 0.00 56.10 52.88 1yel s TRP 50 Cb -0.05 -1.90 0.01 0.00 -0.81 0.00 0.00 33.47 30.72 1yel s TRP 50 CO -0.02 -0.36 0.71 0.99 -0.51 0.00 0.00 176.95 177.75 1yel s THR 51 N 0.69 4.82 0.21 2.01 2.01 -1.26 -0.28 115.64 123.83 1yel s THR 51 Ca -0.06 0.75 0.08 0.00 0.31 0.00 0.00 61.69 62.78 1yel s THR 51 Cb -0.15 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 1yel s THR 51 CO 0.02 -0.36 -0.02 0.68 -0.69 0.00 0.00 174.62 174.26 1yel s VAL 52 N 2.89 3.54 -0.27 3.82 -7.23 0.12 -4.75 120.40 118.52 1yel s VAL 52 Ca 0.28 -1.63 -0.10 0.00 -1.81 0.00 0.00 61.98 58.72 1yel s VAL 52 Cb -0.14 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1yel s VAL 52 CO 0.15 -0.20 0.15 -0.60 -0.31 0.00 0.00 175.10 174.29 1yel s ARG 53 N -3.18 3.87 -0.04 4.82 3.52 -0.03 0.09 118.95 128.01 1yel s ARG 53 Ca 0.28 -0.36 0.05 0.00 -0.13 0.00 0.00 55.73 55.57 1yel s ARG 53 Cb -0.08 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.75 1yel s ARG 53 CO 0.18 -0.16 -0.20 1.41 -0.81 0.00 0.00 175.30 175.72 1yel s MET 54 N 1.66 1.91 -0.00 5.12 -2.45 -1.23 -0.82 119.30 123.49 1yel s MET 54 Ca 0.07 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.81 1yel s MET 54 Cb -0.16 -1.71 -0.01 0.00 1.25 0.00 0.00 34.83 34.20 1yel s MET 54 CO 0.08 0.35 -0.08 0.15 1.05 0.00 0.00 175.02 176.57 1yel s LYS 55 N -0.20 0.64 -0.39 4.11 3.01 -0.48 -4.25 119.74 122.18 1yel s LYS 55 Ca 0.01 -0.32 -0.10 0.00 -1.01 0.00 0.00 55.97 54.54 1yel s LYS 55 Cb -0.11 -0.61 0.05 0.00 -1.01 0.00 0.00 37.83 36.15 1yel s LYS 55 CO 0.01 0.17 0.23 0.21 0.51 0.00 0.00 175.35 176.48 1yel s LYS 56 N -0.28 2.73 -0.46 1.68 2.20 -1.26 -1.47 119.74 122.87 1yel s LYS 56 Ca 0.02 -1.25 -0.07 0.00 -0.36 0.00 0.00 55.97 54.31 1yel s LYS 56 Cb -0.04 -3.75 0.12 0.00 -1.51 0.00 0.00 37.83 32.65 1yel s LYS 56 CO -0.00 -0.81 0.31 0.50 -0.36 0.00 0.00 175.35 174.98 1yel s ARG 57 N 1.50 2.33 7.35 4.03 3.52 0.96 -4.83 118.95 133.81 1yel s ARG 57 Ca 0.02 -1.79 0.00 0.00 -0.13 0.00 0.00 55.73 53.83 1yel s ARG 57 Cb -0.21 -3.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.36 1yel s ARG 57 CO 0.05 -1.16 0.00 0.41 -0.81 0.00 0.00 175.30 173.79 1yel n GLY 58 N 4.79 2.70 0.11 8.12 0.00 -1.26 -2.05 105.19 117.59 1yel n GLY 58 Ca -0.06 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 8.74 0.61 -4.11 1.61 4.71 -1.26 -4.96 120.64 125.98 1yel n GLU 59 Ca 0.00 0.13 -0.23 0.00 -0.01 0.00 0.00 57.16 57.05 1yel n GLU 59 Cb 0.00 -1.81 -0.07 0.00 -1.01 0.00 0.00 31.44 28.55 1yel n GLU 59 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1yel s LYS 60 N -3.28 2.33 0.03 3.49 -2.85 -0.87 -4.82 119.74 113.76 1yel s LYS 60 Ca -0.01 -1.61 0.03 0.00 -1.00 0.00 0.00 55.97 53.38 1yel s LYS 60 Cb 0.10 -2.13 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 1yel s LYS 60 CO 0.80 0.07 -0.09 0.14 0.10 0.00 0.00 175.35 176.38 1yel s VAL 61 N -2.46 0.64 -0.03 1.79 -7.23 -1.26 -0.03 120.40 111.82 1yel s VAL 61 Ca 0.38 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 1yel s VAL 61 Cb -0.01 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.31 1yel s VAL 61 CO 0.22 -0.16 0.08 -0.36 -0.31 0.00 0.00 175.10 174.58 1yel s PHE 62 N -0.92 -0.08 -0.51 2.82 0.08 -0.54 -3.97 117.98 114.86 1yel s PHE 62 Ca -0.04 0.24 -0.18 0.00 0.12 0.00 0.00 56.93 57.08 1yel s PHE 62 Cb -0.07 -0.03 0.08 0.00 -0.57 0.00 0.00 43.02 42.42 1yel s PHE 62 CO 0.00 -0.07 0.55 -0.51 -0.10 0.00 0.00 175.22 175.09 1yel s LEU 63 N 0.42 5.36 0.00 -0.37 1.02 -0.80 -1.38 118.68 122.93 1yel s LEU 63 Ca -0.03 -1.21 0.00 0.00 0.02 0.00 0.00 54.13 52.91 1yel s LEU 63 Cb -0.05 -2.32 0.00 0.00 0.02 0.00 0.00 46.19 43.85 1yel s LEU 63 CO -0.02 -0.84 0.00 0.35 0.02 0.00 0.00 176.35 175.86 1yel n THR 64 N 5.43 0.00 -2.46 5.49 -2.24 0.00 0.31 114.28 120.82 1yel n THR 64 Ca -0.10 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1yel n THR 64 Cb 0.44 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 1yel n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yel s VAL 65 N 0.63 3.85 0.00 2.28 0.11 -1.25 -2.37 120.40 123.64 1yel s VAL 65 Ca 0.00 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.55 1yel s VAL 65 Cb 0.00 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.89 1yel s VAL 65 CO 0.00 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1yel n GLY 66 N 2.40 2.73 0.27 6.54 0.00 -1.26 -0.85 105.19 115.02 1yel n GLY 66 Ca 0.05 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.75 -0.98 115.95 117.74 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 0.08 -0.27 1.05 -1.03 0.00 0.00 178.44 178.27 1yel h GLU 68 N 0.00 0.00 -0.07 2.65 4.11 -1.80 -0.77 114.58 118.69 1yel h GLU 68 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1yel h GLU 68 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1yel h GLU 68 CO 0.01 0.27 -0.43 -0.91 0.07 0.00 0.00 179.01 178.03 1yel h ASN 69 N 0.00 0.17 0.06 3.06 2.35 -1.54 -0.51 115.58 119.17 1yel h ASN 69 Ca -0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1yel h ASN 69 Cb 0.64 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1yel h ASN 69 CO 0.04 0.58 -0.03 0.15 -1.65 0.00 0.00 177.43 176.52 1yel h PHE 70 N 0.13 -0.07 -0.32 1.19 3.04 -1.27 0.13 116.94 119.76 1yel h PHE 70 Ca 0.01 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1yel h PHE 70 Cb 0.81 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 1yel h PHE 70 CO 0.01 0.52 0.21 -0.24 -2.02 0.00 0.00 178.31 176.79 1yel h VAL 71 N -0.79 1.07 -0.15 1.41 3.04 -1.11 0.84 116.25 120.55 1yel h VAL 71 Ca -0.01 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.40 1yel h VAL 71 Cb 0.63 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1yel h VAL 71 CO 0.01 0.08 -0.43 0.11 -1.01 0.00 0.00 177.57 176.33 1yel h LYS 72 N 0.42 0.57 0.08 4.17 1.79 -1.19 -0.48 116.57 121.93 1yel h LYS 72 Ca 0.12 -0.40 -0.29 0.00 -2.18 0.00 0.00 60.65 57.90 1yel h LYS 72 Cb -0.03 0.07 0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1yel h LYS 72 CO -0.04 1.02 -1.17 0.22 -1.08 0.00 0.00 179.45 178.41 1yel h ASP 73 N 0.21 0.88 1.40 0.86 3.58 -0.82 -3.20 116.42 119.34 1yel h ASP 73 Ca -0.01 -0.80 0.00 0.00 0.42 0.00 0.00 57.03 56.64 1yel h ASP 73 Cb 1.05 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1yel h ASP 73 CO 0.09 1.58 -0.45 -1.13 -2.88 0.00 0.00 179.24 176.46 1yel h ASN 74 N 0.30 0.00 -5.12 2.28 -1.24 -0.97 -3.49 115.58 107.34 1yel h ASN 74 Ca -0.17 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1yel h ASN 74 Cb 1.84 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.87 1yel h ASN 74 CO 0.23 0.02 -1.06 -3.20 -1.29 0.00 0.00 177.43 172.13 1yel n ASN 75 N -2.68 -7.28 -4.25 1.15 5.15 -0.25 -5.04 115.26 102.04 1yel n ASN 75 Ca 0.03 1.43 -0.21 0.00 -0.60 0.00 0.00 54.58 55.23 1yel n ASN 75 Cb 0.51 -5.34 -0.12 0.00 -0.53 0.00 0.00 39.78 34.30 1yel n ASN 75 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1yel s LEU 76 N -1.54 2.32 0.25 1.20 0.05 -0.83 -5.00 118.68 115.14 1yel s LEU 76 Ca -0.03 -0.70 -0.03 0.00 0.05 0.00 0.00 54.13 53.42 1yel s LEU 76 Cb 0.00 -0.73 -0.02 0.00 -2.05 0.00 0.00 46.19 43.39 1yel s LEU 76 CO 0.79 -0.01 0.29 -1.83 -0.55 0.00 0.00 176.35 175.03 1yel s GLU 77 N -2.05 1.47 -0.14 1.48 -1.05 -1.26 -4.88 118.70 112.28 1yel s GLU 77 Ca 0.05 -1.62 -0.36 0.00 -0.15 0.00 0.00 54.97 52.90 1yel s GLU 77 Cb -0.09 0.35 -0.13 0.00 -0.44 0.00 0.00 34.13 33.82 1yel s GLU 77 CO 0.04 -0.55 1.83 -3.47 0.95 0.00 0.00 175.26 174.06 1yel n ASP 78 N -0.66 3.13 0.00 0.83 -0.08 -1.23 -0.79 116.55 117.76 1yel n ASP 78 Ca 0.02 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.30 1yel n ASP 78 Cb 0.64 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.79 1yel n ASP 78 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yel n GLY 79 N 4.31 1.28 3.81 0.27 0.00 -1.24 -4.96 105.19 108.67 1yel n GLY 79 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 4.35 -0.01 1.61 3.01 0.03 -4.81 119.74 123.93 1yel s LYS 80 Ca 0.00 1.15 0.05 0.00 -1.01 0.00 0.00 55.97 56.16 1yel s LYS 80 Cb 0.00 -2.48 -0.01 0.00 -1.01 0.00 0.00 37.83 34.33 1yel s LYS 80 CO 0.00 0.13 -0.18 0.71 0.51 0.00 0.00 175.35 176.52 1yel s TYR 81 N -1.91 1.57 0.09 3.18 2.02 -1.09 -2.54 117.35 118.67 1yel s TYR 81 Ca 0.56 -0.30 0.10 0.00 -0.37 0.00 0.00 57.07 57.05 1yel s TYR 81 Cb -0.13 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1yel s TYR 81 CO 0.18 -0.01 -0.26 -0.51 -1.57 0.00 0.00 175.55 173.37 1yel s LEU 82 N -0.50 2.29 -0.19 -1.29 1.43 -0.70 -0.92 118.68 118.79 1yel s LEU 82 Ca 0.07 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1yel s LEU 82 Cb -0.07 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1yel s LEU 82 CO -0.00 0.22 -0.04 -1.10 0.23 0.00 0.00 176.35 175.65 1yel s GLN 83 N -1.69 3.51 -0.24 1.70 -1.52 -0.16 -1.31 119.66 119.94 1yel s GLN 83 Ca 0.13 -0.58 -0.04 0.00 -1.95 0.00 0.00 55.36 52.92 1yel s GLN 83 Cb -0.10 -2.95 0.01 0.00 -0.22 0.00 0.00 33.01 29.74 1yel s GLN 83 CO 0.04 0.01 -0.03 -0.06 -0.25 0.00 0.00 175.29 175.01 1yel s PHE 84 N 0.95 3.02 -0.24 0.91 0.08 0.14 -1.15 117.98 121.68 1yel s PHE 84 Ca -0.00 -1.15 -0.08 0.00 0.12 0.00 0.00 56.93 55.82 1yel s PHE 84 Cb -0.15 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 1yel s PHE 84 CO 0.01 -0.61 0.10 0.42 -0.10 0.00 0.00 175.22 175.03 1yel s ILE 85 N 1.43 4.70 0.00 0.64 1.09 0.12 -0.66 121.20 128.53 1yel s ILE 85 Ca 0.04 -0.05 0.02 0.00 -1.10 0.00 0.00 60.65 59.56 1yel s ILE 85 Cb -0.15 -3.19 -0.03 0.00 -1.06 0.00 0.00 42.46 38.02 1yel s ILE 85 CO -0.03 0.35 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.81 1yel s TYR 86 N 1.32 2.98 0.00 3.97 1.51 0.61 -1.26 117.35 126.48 1yel s TYR 86 Ca 0.06 0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 1yel s TYR 86 Cb -0.15 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1yel s TYR 86 CO 0.05 0.42 0.00 -0.25 -1.11 0.00 0.00 175.55 174.65 1yel n ASP 87 N 1.45 0.00 -0.52 2.29 8.00 -1.23 -2.29 116.55 124.25 1yel n ASP 87 Ca -0.15 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.35 1yel n ASP 87 Cb 0.53 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 -1.14 -0.39 0.00 0.00 177.20 175.67 1yel n ARG 88 N 0.00 0.00 0.00 -1.24 3.00 -1.26 -3.67 116.66 113.48 1yel n ARG 88 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.85 57.53 1yel n ARG 88 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.33 1yel n ARG 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1yel n ASP 89 N 0.00 0.00 -1.93 6.15 2.03 -1.26 -5.02 116.55 116.52 1yel n ASP 89 Ca -0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 1yel n ASP 89 Cb 0.57 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.12 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 0.00 2.15 -3.60 -0.67 3.00 -1.26 -4.84 116.66 111.44 1yel n ARG 90 Ca 0.00 -2.36 -0.39 0.00 -0.01 0.00 0.00 57.85 55.09 1yel n ARG 90 Cb 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 32.46 30.41 1yel n ARG 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1yel s THR 91 N -2.56 4.98 -0.18 0.55 -4.23 -1.26 -3.36 115.64 109.58 1yel s THR 91 Ca 0.44 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1yel s THR 91 Cb 0.37 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1yel s THR 91 CO 0.09 0.09 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.76 1yel s PHE 92 N 1.68 2.82 -0.25 3.99 0.40 -1.02 -3.55 117.98 122.05 1yel s PHE 92 Ca 0.06 -1.21 -0.08 0.00 -0.60 0.00 0.00 56.93 55.10 1yel s PHE 92 Cb -0.17 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 1yel s PHE 92 CO 0.09 -0.60 0.08 0.71 0.70 0.00 0.00 175.22 176.19 1yel s TYR 93 N 1.14 3.09 -0.11 0.36 1.51 -0.39 -0.12 117.35 122.83 1yel s TYR 93 Ca 0.01 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1yel s TYR 93 Cb -0.14 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1yel s TYR 93 CO -0.05 -0.34 -0.08 0.08 -1.11 0.00 0.00 175.55 174.05 1yel s VAL 94 N 1.61 3.57 -0.11 0.71 1.01 0.55 -0.70 120.40 127.05 1yel s VAL 94 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1yel s VAL 94 Cb -0.15 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1yel s VAL 94 CO 0.04 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.89 1yel s ILE 95 N -0.15 2.70 -0.19 2.22 1.09 -0.30 -3.92 121.20 122.66 1yel s ILE 95 Ca 0.01 -0.80 -0.06 0.00 -1.10 0.00 0.00 60.65 58.70 1yel s ILE 95 Cb -0.13 -2.09 -0.03 0.00 -1.06 0.00 0.00 42.46 39.14 1yel s ILE 95 CO 0.03 0.54 0.03 -0.63 -0.10 0.00 0.00 174.94 174.81 1yel s ILE 96 N 0.19 4.40 -0.28 2.92 1.09 -1.26 -0.99 121.20 127.28 1yel s ILE 96 Ca -0.10 -0.17 -0.10 0.00 -1.10 0.00 0.00 60.65 59.18 1yel s ILE 96 Cb -0.16 -2.98 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 1yel s ILE 96 CO 0.06 0.45 0.15 -0.31 -0.10 0.00 0.00 174.94 175.19 1yel s TYR 97 N 0.61 3.17 0.00 3.97 2.02 -0.10 -5.00 117.35 122.02 1yel s TYR 97 Ca 0.01 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1yel s TYR 97 Cb -0.13 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.09 1yel s TYR 97 CO 0.02 -0.27 0.12 0.41 -1.57 0.00 0.00 175.55 174.26 1yel n GLY 98 N 5.01 -0.41 0.00 0.71 0.00 -1.26 -2.66 105.19 106.58 1yel n GLY 98 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.24 0.00 0.00 1.61 -0.00 -1.26 -4.12 115.22 111.20 1yel n HIS 99 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1yel n HIS 99 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1yel n HIS 99 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1yel n ASN 100 N 0.00 0.00 -4.14 0.26 5.15 -1.26 -5.10 115.26 110.17 1yel n ASN 100 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1yel n ASN 100 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 1yel n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yel s MET 101 N -0.31 0.75 0.00 1.20 0.23 -1.26 -5.30 119.30 114.61 1yel s MET 101 Ca 0.00 -1.11 0.30 0.00 -1.03 0.00 0.00 55.69 53.85 1yel s MET 101 Cb 0.00 -0.33 1.53 0.00 -1.53 0.00 0.00 34.83 34.51 1yel s MET 101 CO 0.00 0.03 2.02 0.00 -2.03 0.00 0.00 175.02 175.04