#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yel n ALA 2 N 0.00 0.00 -2.43 3.17 0.00 -1.26 -4.96 120.51 115.03 1yel n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1yel n ALA 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1yel n ALA 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1yel s ASP 3 N -4.00 0.15 0.29 0.00 -4.77 -1.26 -5.05 116.67 102.04 1yel s ASP 3 Ca 0.00 -1.11 0.21 0.00 -3.30 0.00 0.00 52.55 48.34 1yel s ASP 3 Cb 0.00 0.38 0.13 0.00 -1.09 0.00 0.00 42.92 42.34 1yel s ASP 3 CO 0.00 -0.84 1.31 0.74 0.70 0.00 0.00 175.17 177.08 1yel h THR 4 N 2.66 0.23 0.00 2.11 2.02 -2.04 -3.48 112.91 114.40 1yel h THR 4 Ca -0.33 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1yel h THR 4 Cb 1.22 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1yel h THR 4 CO 0.52 0.13 0.00 0.61 0.37 0.00 0.00 175.52 177.15 1yel n GLY 5 N 1.18 1.47 3.74 2.16 0.00 -1.26 -4.59 105.19 107.89 1yel n GLY 5 Ca 0.01 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 4.25 -0.10 1.61 1.03 -1.26 -4.41 118.70 119.83 1yel s GLU 6 Ca 0.00 0.36 -0.08 0.00 0.03 0.00 0.00 54.97 55.28 1yel s GLU 6 Cb 0.00 -3.40 -0.04 0.00 -0.80 0.00 0.00 34.13 29.89 1yel s GLU 6 CO 0.00 0.26 0.18 0.14 -1.33 0.00 0.00 175.26 174.51 1yel s VAL 7 N 0.32 5.45 0.02 1.83 -7.23 0.52 -4.86 120.40 116.44 1yel s VAL 7 Ca 0.23 0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.70 1yel s VAL 7 Cb -0.15 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1yel s VAL 7 CO 0.09 0.59 -0.09 0.00 -0.31 0.00 0.00 175.10 175.38 1yel s GLN 8 N -1.11 2.44 -0.01 4.82 0.00 -1.26 0.31 119.66 124.84 1yel s GLN 8 Ca 0.17 -0.79 -0.10 0.00 -0.00 0.00 0.00 55.36 54.64 1yel s GLN 8 Cb -0.13 -2.43 0.01 0.00 0.00 0.00 0.00 33.01 30.46 1yel s GLN 8 CO 0.06 0.58 0.19 -0.59 0.00 0.00 0.00 175.29 175.54 1yel s PHE 9 N -1.00 -0.04 0.04 9.60 -0.71 -0.27 -4.97 117.98 120.62 1yel s PHE 9 Ca 0.17 0.03 0.06 0.00 -1.04 0.00 0.00 56.93 56.15 1yel s PHE 9 Cb -0.11 0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.68 1yel s PHE 9 CO 0.08 -0.31 -0.17 0.00 -1.34 0.00 0.00 175.22 173.48 1yel s MET 10 N -1.26 1.12 -0.13 1.99 0.23 -1.26 -0.06 119.30 119.93 1yel s MET 10 Ca -0.13 -0.84 -0.18 0.00 -1.03 0.00 0.00 55.69 53.51 1yel s MET 10 Cb -0.06 -1.18 0.04 0.00 -1.53 0.00 0.00 34.83 32.10 1yel s MET 10 CO 0.02 0.30 0.47 0.21 -2.03 0.00 0.00 175.02 173.99 1yel s LYS 11 N -1.17 0.65 0.50 3.16 2.20 -0.40 -4.98 119.74 119.70 1yel s LYS 11 Ca 0.04 0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 55.87 1yel s LYS 11 Cb -0.08 0.31 -0.06 0.00 -1.51 0.00 0.00 37.83 36.48 1yel s LYS 11 CO 0.02 -0.12 1.25 -1.25 -0.36 0.00 0.00 175.35 174.88 1yel s PRO 12 N -0.26 3.47 -0.11 4.03 0.04 -1.26 -2.12 135.00 138.79 1yel s PRO 12 Ca -0.04 1.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 1yel s PRO 12 Cb -0.03 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1yel s PRO 12 CO 0.03 -0.84 0.07 -0.06 0.04 0.00 0.00 177.00 176.24 1yel s PHE 13 N -1.44 3.38 -0.21 0.56 0.40 -0.66 -4.93 117.98 115.08 1yel s PHE 13 Ca 0.67 0.35 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 1yel s PHE 13 Cb -0.34 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.34 1yel s PHE 13 CO 0.40 0.58 -0.15 0.42 0.70 0.00 0.00 175.22 177.17 1yel s ILE 14 N -0.86 2.29 0.64 0.64 1.09 -1.26 -3.09 121.20 120.65 1yel s ILE 14 Ca 0.13 -1.05 0.35 0.00 -1.10 0.00 0.00 60.65 58.99 1yel s ILE 14 Cb -0.12 -2.07 0.38 0.00 -1.06 0.00 0.00 42.46 39.59 1yel s ILE 14 CO 0.03 0.38 2.18 0.28 -0.10 0.00 0.00 174.94 177.70 1yel h SER 15 N 7.93 0.00 -0.64 3.58 0.02 -1.93 -0.09 113.55 122.41 1yel h SER 15 Ca -0.39 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.50 1yel h SER 15 Cb 1.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1yel h SER 15 CO 0.59 0.00 0.18 -0.08 -1.14 0.00 0.00 176.83 176.39 1yel h GLU 16 N 0.00 1.04 0.05 3.45 4.81 -1.98 -2.26 114.58 119.68 1yel h GLU 16 Ca 0.03 -0.23 -0.37 0.00 -0.13 0.00 0.00 59.36 58.66 1yel h GLU 16 Cb 0.30 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1yel h GLU 16 CO -0.00 0.91 -2.17 1.63 -0.73 0.00 0.00 179.01 178.64 1yel n LYS 17 N -4.25 0.68 0.04 1.92 4.01 -0.34 -4.44 118.16 115.78 1yel n LYS 17 Ca 0.05 0.25 0.06 0.00 -0.51 0.00 0.00 58.31 58.16 1yel n LYS 17 Cb 0.24 -1.62 0.27 0.00 -0.51 0.00 0.00 35.03 33.41 1yel n LYS 17 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1yel n SER 18 N -3.56 0.17 0.23 4.39 3.41 -0.20 0.02 113.62 118.08 1yel n SER 18 Ca -0.40 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1yel n SER 18 Cb 0.97 -0.59 0.54 0.00 -0.26 0.00 0.00 64.21 64.87 1yel n SER 18 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1yel h SER 19 N 0.00 0.00 0.00 4.04 0.87 -1.62 -3.38 113.55 113.46 1yel h SER 19 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yel h SER 19 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1yel h SER 19 CO 0.00 0.19 -0.07 2.29 -0.53 0.00 0.00 176.83 178.71 1yel n LYS 20 N -3.44 3.26 -3.93 2.24 -0.00 -0.24 -4.68 118.16 111.37 1yel n LYS 20 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.21 1yel n LYS 20 Cb 0.38 -0.54 -0.10 0.00 -0.00 0.00 0.00 35.03 34.77 1yel n LYS 20 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1yel s SER 21 N -0.58 0.18 -0.25 -5.58 1.04 0.10 -3.50 113.70 105.11 1yel s SER 21 Ca 0.00 -0.50 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 1yel s SER 21 Cb 0.00 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1yel s SER 21 CO 0.00 -0.47 0.31 -0.22 0.98 0.00 0.00 173.24 173.84 1yel s LEU 22 N -1.97 4.08 -0.23 2.42 0.20 0.16 -2.86 118.68 120.49 1yel s LEU 22 Ca -0.07 0.27 -0.17 0.00 0.69 0.00 0.00 54.13 54.85 1yel s LEU 22 Cb -0.03 -2.34 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 1yel s LEU 22 CO -0.03 -0.08 0.47 -1.83 -0.29 0.00 0.00 176.35 174.58 1yel s GLU 23 N 1.60 4.13 -0.16 1.98 1.03 -1.26 -1.81 118.70 124.21 1yel s GLU 23 Ca 0.13 0.29 -0.07 0.00 0.03 0.00 0.00 54.97 55.36 1yel s GLU 23 Cb -0.15 -3.59 -0.04 0.00 -0.80 0.00 0.00 34.13 29.55 1yel s GLU 23 CO 0.08 -0.20 0.06 0.42 -1.33 0.00 0.00 175.26 174.30 1yel s ILE 24 N 1.80 4.81 0.35 1.83 1.01 -1.25 -5.04 121.20 124.70 1yel s ILE 24 Ca 0.21 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 1yel s ILE 24 Cb -0.15 -3.14 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 1yel s ILE 24 CO 0.09 0.49 1.40 -2.65 0.00 0.00 0.00 174.94 174.27 1yel n PRO 25 N 3.21 2.38 0.09 2.79 -0.02 -1.26 -4.74 135.00 137.45 1yel n PRO 25 Ca -0.17 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1yel n PRO 25 Cb 0.53 -2.50 0.67 0.00 -0.02 0.00 0.00 33.50 32.18 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 2.99 0.01 -1.85 2.45 6.46 -1.95 -0.18 115.31 123.24 1yel h LEU 26 Ca -0.48 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 1yel h LEU 26 Cb 1.26 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 1yel h LEU 26 CO 0.65 0.01 0.26 1.23 -0.62 0.00 0.00 178.44 179.96 1yel h GLY 27 N 0.01 0.23 1.21 3.75 0.00 -1.94 0.22 103.07 106.56 1yel h GLY 27 Ca 0.17 -0.07 -0.27 0.00 0.00 0.00 0.00 47.33 47.15 1yel h GLY 27 CO -0.00 0.05 -1.54 0.74 0.00 0.00 0.00 176.54 175.79 1yel h PHE 28 N 0.18 0.00 -0.28 5.60 0.04 -1.40 -3.04 116.94 118.04 1yel h PHE 28 Ca 0.17 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.86 1yel h PHE 28 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1yel h PHE 28 CO -0.00 0.99 -0.15 -0.91 -0.60 0.00 0.00 178.31 177.65 1yel h ASN 29 N 0.00 0.47 0.96 2.17 -0.26 -0.81 -0.10 115.58 118.00 1yel h ASN 29 Ca -0.22 -0.13 -0.11 0.00 -0.56 0.00 0.00 56.30 55.28 1yel h ASN 29 Cb 1.95 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 39.07 1yel h ASN 29 CO 0.09 0.64 -0.52 -0.08 -1.06 0.00 0.00 177.43 176.50 1yel h GLU 30 N 0.44 0.00 0.00 0.81 4.81 -0.73 -3.06 114.58 116.86 1yel h GLU 30 Ca 0.08 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 1yel h GLU 30 Cb 0.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1yel h GLU 30 CO 0.03 0.52 -0.77 -0.92 -0.73 0.00 0.00 179.01 177.15 1yel h TYR 31 N 0.00 0.00 -2.50 0.92 5.03 -1.14 -3.39 116.97 115.89 1yel h TYR 31 Ca -0.01 0.00 -0.59 0.00 2.58 0.00 0.00 58.73 60.71 1yel h TYR 31 Cb 1.15 0.00 -0.39 0.00 1.55 0.00 0.00 36.73 39.03 1yel h TYR 31 CO 0.00 0.77 -0.88 1.97 -1.32 0.00 0.00 178.16 178.70 1yel n PHE 32 N -3.35 0.27 -2.94 -3.82 1.16 -0.16 -5.09 117.46 103.54 1yel n PHE 32 Ca 0.01 -3.60 -0.40 0.00 -1.87 0.00 0.00 57.45 51.59 1yel n PHE 32 Cb 0.82 -0.03 -0.05 0.00 -1.61 0.00 0.00 39.48 38.61 1yel n PHE 32 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 1yel s PRO 33 N -0.51 4.53 0.12 3.97 0.02 -1.18 -4.79 135.00 137.17 1yel s PRO 33 Ca 0.31 1.13 -0.15 0.00 0.02 0.00 0.00 61.00 62.32 1yel s PRO 33 Cb 0.04 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 31.23 1yel s PRO 33 CO -0.18 0.30 0.37 0.00 -0.33 0.00 0.00 177.00 177.16 1yel s ALA 34 N -0.16 -0.82 0.30 -1.55 0.00 -1.26 -5.13 121.76 113.14 1yel s ALA 34 Ca 0.39 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1yel s ALA 34 Cb -0.21 0.67 -0.11 0.00 0.00 0.00 0.00 23.12 23.47 1yel s ALA 34 CO 0.24 -0.63 1.48 -2.14 0.00 0.00 0.00 175.76 174.72 1yel s PRO 35 N -3.81 4.20 -0.07 0.00 0.02 -1.26 -4.90 135.00 129.17 1yel s PRO 35 Ca 0.03 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1yel s PRO 35 Cb 0.02 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 1yel s PRO 35 CO -0.12 -0.48 1.56 -0.59 -0.33 0.00 0.00 177.00 177.04 1yel s PHE 36 N -0.38 2.21 0.16 6.54 -0.71 -1.26 -4.97 117.98 119.57 1yel s PHE 36 Ca 0.58 0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 56.56 1yel s PHE 36 Cb -0.44 -3.82 -0.07 0.00 -1.21 0.00 0.00 43.02 37.48 1yel s PHE 36 CO 0.50 -3.34 0.97 -1.25 -1.34 0.00 0.00 175.22 170.76 1yel s PRO 37 N 3.80 4.74 0.23 1.99 0.04 -1.26 -4.96 135.00 139.59 1yel s PRO 37 Ca 0.69 1.50 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 1yel s PRO 37 Cb -0.31 -3.33 0.23 0.00 0.04 0.00 0.00 34.50 31.13 1yel s PRO 37 CO 0.26 0.31 1.74 0.82 0.04 0.00 0.00 177.00 180.17 1yel h ILE 38 N 3.69 1.25 -3.91 0.56 1.08 -1.94 -3.21 117.51 115.03 1yel h ILE 38 Ca -0.44 -0.98 -0.40 0.00 -0.39 0.00 0.00 64.86 62.65 1yel h ILE 38 Cb 1.21 0.68 -0.21 0.00 -3.07 0.00 0.00 36.82 35.42 1yel h ILE 38 CO 0.70 0.36 -0.77 0.42 -0.69 0.00 0.00 178.15 178.17 1yel s THR 39 N -5.17 1.10 0.01 -0.27 -4.23 -1.26 -4.01 115.64 101.81 1yel s THR 39 Ca -0.11 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1yel s THR 39 Cb 0.15 -1.11 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 1yel s THR 39 CO 0.83 -0.26 0.03 -0.69 -0.54 0.00 0.00 174.62 173.99 1yel s VAL 40 N -1.41 0.09 -0.10 2.29 1.01 0.16 -4.85 120.40 117.60 1yel s VAL 40 Ca -0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1yel s VAL 40 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1yel s VAL 40 CO 0.02 -0.43 -0.09 -1.81 0.00 0.00 0.00 175.10 172.80 1yel s ASP 41 N -1.35 4.44 -0.14 3.32 1.01 -1.26 0.50 116.67 123.20 1yel s ASP 41 Ca -0.15 -0.14 -0.03 0.00 0.71 0.00 0.00 52.55 52.94 1yel s ASP 41 Cb -0.09 -1.36 -0.03 0.00 1.01 0.00 0.00 42.92 42.45 1yel s ASP 41 CO -0.00 0.27 -0.03 -0.76 0.21 0.00 0.00 175.17 174.86 1yel s LEU 42 N -0.26 3.29 -0.03 1.23 1.43 0.46 -3.36 118.68 121.44 1yel s LEU 42 Ca 0.03 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1yel s LEU 42 Cb -0.13 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1yel s LEU 42 CO 0.03 0.21 0.07 -0.76 0.23 0.00 0.00 176.35 176.12 1yel s LEU 43 N 0.11 3.86 0.34 1.79 2.01 -0.69 -1.21 118.68 124.90 1yel s LEU 43 Ca -0.01 0.16 0.08 0.00 0.01 0.00 0.00 54.13 54.38 1yel s LEU 43 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.86 1yel s LEU 43 CO 0.03 0.30 0.18 -0.62 1.01 0.00 0.00 176.35 177.25 1yel s ASP 44 N -1.52 4.82 0.15 2.29 2.15 -0.00 -1.19 116.67 123.37 1yel s ASP 44 Ca 0.20 -0.72 -0.19 0.00 0.43 0.00 0.00 52.55 52.27 1yel s ASP 44 Cb -0.12 -0.77 0.04 0.00 -0.30 0.00 0.00 42.92 41.77 1yel s ASP 44 CO 0.11 -0.33 1.67 1.88 -0.17 0.00 0.00 175.17 178.33 1yel h TYR 45 N 1.47 -0.28 0.00 -5.34 0.05 -1.88 -1.21 116.97 109.77 1yel h TYR 45 Ca -0.44 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1yel h TYR 45 Cb 1.25 0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.16 1yel h TYR 45 CO 0.60 -0.18 0.00 0.43 -1.05 0.00 0.00 178.16 177.96 1yel n SER 46 N -5.29 0.05 0.00 3.88 7.64 -1.26 -4.83 113.62 113.81 1yel n SER 46 Ca -0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1yel n SER 46 Cb 0.21 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1yel n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yel n GLY 47 N 0.55 1.09 3.76 0.23 0.00 -0.46 -5.08 105.19 105.29 1yel n GLY 47 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.80 3.02 -0.01 1.61 0.52 -1.25 -4.76 118.95 117.27 1yel s ARG 48 Ca 0.00 1.71 0.01 0.00 -0.52 0.00 0.00 55.73 56.92 1yel s ARG 48 Cb 0.00 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.53 1yel s ARG 48 CO 0.00 -1.14 -0.01 -1.54 0.02 0.00 0.00 175.30 172.63 1yel s SER 49 N -1.78 0.30 -0.08 0.23 1.04 -1.26 -0.82 113.70 111.32 1yel s SER 49 Ca 0.75 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 57.19 1yel s SER 49 Cb -0.27 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 65.76 1yel s SER 49 CO 0.33 -0.02 -0.23 0.26 0.98 0.00 0.00 173.24 174.56 1yel s TRP 50 N 0.34 2.38 -0.37 5.02 0.51 -0.35 -4.93 118.94 121.54 1yel s TRP 50 Ca -0.03 -0.88 -0.21 0.00 -2.12 0.00 0.00 56.10 52.85 1yel s TRP 50 Cb -0.06 -1.59 0.01 0.00 -0.81 0.00 0.00 33.47 31.02 1yel s TRP 50 CO -0.01 -0.34 0.69 0.99 -0.51 0.00 0.00 176.95 177.78 1yel s THR 51 N 0.21 4.82 0.24 2.01 2.01 -1.26 -0.41 115.64 123.27 1yel s THR 51 Ca -0.14 0.66 0.10 0.00 0.31 0.00 0.00 61.69 62.62 1yel s THR 51 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1yel s THR 51 CO 0.07 -0.39 -0.12 0.68 -0.69 0.00 0.00 174.62 174.18 1yel s VAL 52 N 2.87 2.96 -0.18 3.82 -7.23 0.18 -4.71 120.40 118.11 1yel s VAL 52 Ca 0.27 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 1yel s VAL 52 Cb -0.14 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1yel s VAL 52 CO 0.16 -0.28 0.09 -0.60 -0.31 0.00 0.00 175.10 174.16 1yel s ARG 53 N -3.28 4.00 -0.09 4.82 3.52 -1.24 0.40 118.95 127.07 1yel s ARG 53 Ca 0.28 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1yel s ARG 53 Cb -0.07 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1yel s ARG 53 CO 0.16 0.33 -0.10 1.41 -0.81 0.00 0.00 175.30 176.29 1yel s MET 54 N 0.23 2.94 -0.06 5.12 -2.45 -1.21 -0.22 119.30 123.65 1yel s MET 54 Ca 0.06 -0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 53.86 1yel s MET 54 Cb -0.12 -2.57 0.04 0.00 1.25 0.00 0.00 34.83 33.43 1yel s MET 54 CO -0.00 0.49 0.11 0.21 1.05 0.00 0.00 175.02 176.88 1yel s LYS 55 N -0.36 0.02 -0.19 4.11 2.20 0.38 -4.15 119.74 121.76 1yel s LYS 55 Ca 0.04 0.38 -0.07 0.00 -0.36 0.00 0.00 55.97 55.97 1yel s LYS 55 Cb -0.12 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.89 1yel s LYS 55 CO 0.02 -0.23 0.04 0.21 -0.36 0.00 0.00 175.35 175.04 1yel s LYS 56 N 1.60 3.86 -0.31 4.03 2.20 -1.26 -1.15 119.74 128.71 1yel s LYS 56 Ca -0.04 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1yel s LYS 56 Cb -0.12 -3.17 0.10 0.00 -1.51 0.00 0.00 37.83 33.13 1yel s LYS 56 CO -0.05 0.19 0.10 0.50 -0.36 0.00 0.00 175.35 175.74 1yel s ARG 57 N 0.57 0.67 7.93 4.03 3.00 0.16 -4.86 118.95 130.45 1yel s ARG 57 Ca 0.02 -1.03 0.00 0.00 -1.00 0.00 0.00 55.73 53.72 1yel s ARG 57 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 34.95 32.89 1yel s ARG 57 CO 0.01 -0.99 0.00 0.41 0.00 0.00 0.00 175.30 174.74 1yel n GLY 58 N 4.88 3.36 0.11 8.12 0.00 -1.26 -2.59 105.19 117.81 1yel n GLY 58 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1yel n GLY 58 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yel n GLU 59 N 13.12 0.37 -4.31 1.61 0.00 -1.26 -4.88 120.64 125.29 1yel n GLU 59 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 57.16 56.66 1yel n GLU 59 Cb 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.84 1yel n GLU 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1yel s LYS 60 N -2.78 1.89 -0.07 3.44 0.00 -1.07 -4.48 119.74 116.67 1yel s LYS 60 Ca 0.17 -1.27 -0.00 0.00 0.00 0.00 0.00 55.97 54.87 1yel s LYS 60 Cb 0.18 -2.11 0.02 0.00 0.00 0.00 0.00 37.83 35.93 1yel s LYS 60 CO 0.62 0.45 -0.03 0.08 0.00 0.00 0.00 175.35 176.47 1yel s VAL 61 N -1.50 0.56 0.11 1.79 1.01 -1.26 -0.67 120.40 120.44 1yel s VAL 61 Ca 0.22 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1yel s VAL 61 Cb -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1yel s VAL 61 CO 0.13 0.26 -0.13 -0.36 0.00 0.00 0.00 175.10 175.00 1yel s PHE 62 N 1.45 1.29 -0.54 5.22 0.08 -0.30 -3.88 117.98 121.31 1yel s PHE 62 Ca -0.02 -0.55 -0.20 0.00 0.12 0.00 0.00 56.93 56.28 1yel s PHE 62 Cb -0.13 -0.69 0.07 0.00 -0.57 0.00 0.00 43.02 41.69 1yel s PHE 62 CO -0.03 0.10 0.69 -0.51 -0.10 0.00 0.00 175.22 175.36 1yel s LEU 63 N -2.29 4.97 0.00 -0.37 1.02 -0.75 -0.47 118.68 120.79 1yel s LEU 63 Ca 0.06 -1.00 0.00 0.00 0.02 0.00 0.00 54.13 53.20 1yel s LEU 63 Cb -0.06 -2.44 0.00 0.00 0.02 0.00 0.00 46.19 43.72 1yel s LEU 63 CO 0.02 -1.01 0.00 1.07 0.02 0.00 0.00 176.35 176.46 1yel n THR 64 N 5.66 0.00 -1.72 5.49 5.66 0.69 -0.66 114.28 129.40 1yel n THR 64 Ca -0.06 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.52 1yel n THR 64 Cb 0.45 -0.74 -0.03 0.00 -1.55 0.00 0.00 70.33 68.46 1yel n THR 64 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1yel s VAL 65 N 0.00 2.92 0.00 1.08 0.11 -1.23 -1.81 120.40 121.47 1yel s VAL 65 Ca 0.00 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1yel s VAL 65 Cb 0.00 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1yel s VAL 65 CO 0.00 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 1yel n GLY 66 N 4.39 3.88 0.30 6.54 0.00 -1.26 -3.66 105.19 115.38 1yel n GLY 66 Ca 0.19 -0.58 0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.99 1.61 2.91 -1.57 -2.23 115.95 115.67 1yel h TRP 67 Ca 0.00 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.11 1yel h TRP 67 Cb 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 28.58 1yel h TRP 67 CO 0.00 0.01 0.64 1.49 -1.03 0.00 0.00 178.44 179.55 1yel h GLU 68 N 0.00 1.05 -0.74 2.65 4.81 -1.80 -0.66 114.58 119.90 1yel h GLU 68 Ca -0.00 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1yel h GLU 68 Cb 0.04 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 1yel h GLU 68 CO 0.00 0.70 0.49 -0.91 -0.73 0.00 0.00 179.01 178.56 1yel h ASN 69 N 1.09 0.80 -0.02 1.04 4.21 -1.76 0.11 115.58 121.04 1yel h ASN 69 Ca 0.46 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.92 1yel h ASN 69 Cb 0.31 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1yel h ASN 69 CO -0.21 0.56 -0.11 0.15 -1.29 0.00 0.00 177.43 176.53 1yel h PHE 70 N 0.93 0.14 -0.41 1.19 3.57 -1.33 0.84 116.94 121.87 1yel h PHE 70 Ca 0.29 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1yel h PHE 70 Cb -0.00 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1yel h PHE 70 CO -0.00 0.79 0.13 -0.24 -2.23 0.00 0.00 178.31 176.76 1yel h VAL 71 N -0.54 1.17 -0.08 1.41 3.04 -0.76 0.12 116.25 120.62 1yel h VAL 71 Ca -0.01 -0.58 -0.06 0.00 -1.01 0.00 0.00 66.70 65.04 1yel h VAL 71 Cb 0.81 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1yel h VAL 71 CO 0.02 0.22 -0.17 0.50 -1.01 0.00 0.00 177.57 177.13 1yel h LYS 72 N 0.59 0.26 0.10 4.17 3.64 -0.83 -1.75 116.57 122.74 1yel h LYS 72 Ca 0.14 -0.17 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 1yel h LYS 72 Cb 0.18 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1yel h LYS 72 CO -0.01 0.77 -1.14 0.22 -2.27 0.00 0.00 179.45 177.02 1yel h ASP 73 N -0.22 0.83 0.97 4.20 3.58 -0.02 -3.23 116.42 122.52 1yel h ASP 73 Ca 0.00 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.63 1yel h ASP 73 Cb 0.76 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1yel h ASP 73 CO 0.04 1.56 -0.65 0.78 -2.88 0.00 0.00 179.24 178.08 1yel h ASN 74 N 0.20 0.00 -5.42 2.28 4.21 -0.96 -3.50 115.58 112.40 1yel h ASN 74 Ca -0.17 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.19 1yel h ASN 74 Cb 1.83 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.97 1yel h ASN 74 CO 0.22 0.08 -1.08 -3.20 -1.29 0.00 0.00 177.43 172.15 1yel n ASN 75 N -2.28 -4.82 -4.32 5.81 5.15 -0.67 -5.05 115.26 109.08 1yel n ASN 75 Ca 0.03 1.20 -0.19 0.00 -0.60 0.00 0.00 54.58 55.02 1yel n ASN 75 Cb 0.47 -4.23 -0.10 0.00 -0.53 0.00 0.00 39.78 35.38 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 -0.93 2.51 0.19 1.20 0.05 -1.17 -5.05 118.68 115.48 1yel s LEU 76 Ca -0.11 -0.96 -0.05 0.00 0.05 0.00 0.00 54.13 53.06 1yel s LEU 76 Cb 0.01 -0.66 -0.03 0.00 -2.05 0.00 0.00 46.19 43.46 1yel s LEU 76 CO 0.57 -0.15 0.21 -1.83 -0.55 0.00 0.00 176.35 174.60 1yel s GLU 77 N -3.33 1.21 0.27 1.48 -1.05 -1.26 -5.00 118.70 111.01 1yel s GLU 77 Ca 0.19 -1.43 -0.31 0.00 -0.15 0.00 0.00 54.97 53.27 1yel s GLU 77 Cb -0.02 0.33 -0.12 0.00 -0.44 0.00 0.00 34.13 33.87 1yel s GLU 77 CO 0.06 -0.42 1.60 -0.40 0.95 0.00 0.00 175.26 177.05 1yel n ASP 78 N -0.25 3.76 0.00 0.83 5.75 -1.26 -2.64 116.55 122.75 1yel n ASP 78 Ca -0.02 1.13 0.00 0.00 -0.01 0.00 0.00 54.79 55.89 1yel n ASP 78 Cb 0.64 -1.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 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 2.56 2.31 3.95 6.12 0.00 -1.18 -4.97 105.19 113.99 1yel n GLY 79 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.16 3.18 -0.01 1.61 1.02 -1.08 -4.94 119.74 119.35 1yel s LYS 80 Ca 0.00 -0.95 0.05 0.00 0.02 0.00 0.00 55.97 55.09 1yel s LYS 80 Cb 0.00 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1yel s LYS 80 CO 0.00 0.23 -0.16 0.71 -0.92 0.00 0.00 175.35 175.22 1yel s TYR 81 N -2.11 1.40 0.01 3.18 1.51 -1.25 -1.65 117.35 118.44 1yel s TYR 81 Ca 0.39 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 1yel s TYR 81 Cb -0.09 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 1yel s TYR 81 CO 0.29 -0.02 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.01 1yel s LEU 82 N -0.42 2.10 -0.17 -1.29 1.02 -0.90 0.02 118.68 119.04 1yel s LEU 82 Ca 0.06 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 1yel s LEU 82 Cb -0.06 -0.93 -0.01 0.00 0.02 0.00 0.00 46.19 45.21 1yel s LEU 82 CO -0.00 0.18 -0.11 -1.58 0.02 0.00 0.00 176.35 174.86 1yel s GLN 83 N -0.81 3.32 -0.13 1.70 0.74 0.21 -1.28 119.66 123.41 1yel s GLN 83 Ca 0.07 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 1yel s GLN 83 Cb -0.08 -2.76 -0.02 0.00 1.10 0.00 0.00 33.01 31.25 1yel s GLN 83 CO 0.00 -0.01 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.58 1yel s PHE 84 N 0.92 2.89 -0.31 1.67 0.08 0.91 -0.75 117.98 123.39 1yel s PHE 84 Ca -0.02 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.45 1yel s PHE 84 Cb -0.15 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1yel s PHE 84 CO -0.00 -0.11 0.15 0.42 -0.10 0.00 0.00 175.22 175.57 1yel s ILE 85 N 0.27 4.59 -0.22 0.64 1.01 -0.29 -1.12 121.20 126.08 1yel s ILE 85 Ca -0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1yel s ILE 85 Cb -0.15 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1yel s ILE 85 CO 0.04 0.09 0.05 -0.47 0.00 0.00 0.00 174.94 174.65 1yel s TYR 86 N 1.61 3.11 0.11 3.97 5.04 0.15 -0.76 117.35 130.58 1yel s TYR 86 Ca 0.05 -0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.36 1yel s TYR 86 Cb -0.17 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.01 1yel s TYR 86 CO 0.06 -0.20 0.15 -3.47 -1.34 0.00 0.00 175.55 170.75 1yel n ASP 87 N 4.39 0.06 -0.13 4.32 -0.08 -0.96 -0.36 116.55 123.81 1yel n ASP 87 Ca -0.16 -1.09 0.14 0.00 -1.51 0.00 0.00 54.79 52.16 1yel n ASP 87 Cb 0.52 -0.11 0.50 0.00 2.34 0.00 0.00 41.12 44.37 1yel n ASP 87 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1yel n ARG 88 N -1.31 0.59 0.00 -0.67 5.12 -1.26 -4.73 116.66 114.40 1yel n ARG 88 Ca 0.02 -0.26 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 1yel n ARG 88 Cb 0.07 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 -0.98 0.00 -0.66 0.55 2.03 -1.26 -5.00 116.55 111.23 1yel n ASP 89 Ca 0.12 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.51 1yel n ASP 89 Cb 0.31 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.91 1yel n ASP 89 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1yel n ARG 90 N 0.00 2.64 -3.80 -0.67 1.85 -1.26 -5.00 116.66 110.41 1yel n ARG 90 Ca 0.00 -2.59 -0.36 0.00 -1.00 0.00 0.00 57.85 53.91 1yel n ARG 90 Cb 0.00 -1.64 -0.10 0.00 -1.05 0.00 0.00 32.46 29.67 1yel n ARG 90 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1yel s THR 91 N -2.42 5.08 -0.13 8.89 2.01 -1.26 -4.48 115.64 123.32 1yel s THR 91 Ca 0.35 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1yel s THR 91 Cb 0.27 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1yel s THR 91 CO 0.09 0.40 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.99 1yel s PHE 92 N 0.74 2.95 -0.21 4.92 0.40 -1.21 -2.25 117.98 123.31 1yel s PHE 92 Ca 0.06 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 1yel s PHE 92 Cb -0.13 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1yel s PHE 92 CO 0.02 -0.02 0.11 0.71 0.70 0.00 0.00 175.22 176.74 1yel s TYR 93 N 0.15 3.30 -0.26 0.36 2.02 0.06 -1.70 117.35 121.27 1yel s TYR 93 Ca -0.03 0.14 -0.09 0.00 -0.37 0.00 0.00 57.07 56.73 1yel s TYR 93 Cb -0.14 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1yel s TYR 93 CO 0.03 0.12 0.11 0.08 -1.57 0.00 0.00 175.55 174.32 1yel s VAL 94 N 0.68 4.63 -0.16 0.71 1.01 -0.33 -1.14 120.40 125.80 1yel s VAL 94 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1yel s VAL 94 Cb -0.13 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.08 1yel s VAL 94 CO 0.01 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.61 1yel s ILE 95 N 1.66 2.37 -0.08 2.22 1.01 0.07 -4.56 121.20 123.88 1yel s ILE 95 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1yel s ILE 95 Cb -0.15 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1yel s ILE 95 CO 0.06 0.53 -0.10 -0.51 0.00 0.00 0.00 174.94 174.92 1yel s ILE 96 N 0.91 3.43 -0.39 2.92 2.07 -1.26 0.66 121.20 129.55 1yel s ILE 96 Ca -0.04 -0.57 -0.20 0.00 -1.41 0.00 0.00 60.65 58.44 1yel s ILE 96 Cb -0.15 -2.40 0.01 0.00 0.13 0.00 0.00 42.46 40.05 1yel s ILE 96 CO -0.03 0.57 0.60 -0.31 -1.91 0.00 0.00 174.94 173.86 1yel s TYR 97 N -0.47 3.13 0.00 3.50 2.02 0.10 -4.38 117.35 121.25 1yel s TYR 97 Ca 0.07 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1yel s TYR 97 Cb -0.12 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1yel s TYR 97 CO 0.02 -0.70 0.00 0.41 -1.57 0.00 0.00 175.55 173.71 1yel n GLY 98 N 4.86 -0.33 2.24 0.71 0.00 -1.26 -3.77 105.19 107.63 1yel n GLY 98 Ca -0.03 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -2.96 -2.66 1.61 8.25 -1.26 -4.92 115.22 113.28 1yel n HIS 99 Ca 0.00 1.66 -0.43 0.00 -0.26 0.00 0.00 57.72 58.70 1yel n HIS 99 Cb 0.00 -3.13 -0.03 0.00 1.12 0.00 0.00 29.99 27.95 1yel n HIS 99 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1yel s ASN 100 N -0.54 6.46 -0.69 0.41 2.47 -1.26 -4.95 114.94 116.84 1yel s ASN 100 Ca -0.17 0.08 -0.01 0.00 0.42 0.00 0.00 52.86 53.18 1yel s ASN 100 Cb 0.01 -2.52 0.17 0.00 -1.45 0.00 0.00 41.25 37.47 1yel s ASN 100 CO 0.53 -1.35 0.52 -0.32 -3.72 0.00 0.00 177.10 172.76 1yel s MET 101 N 4.54 2.69 0.00 0.43 -2.45 -1.26 -5.26 119.30 117.99 1yel s MET 101 Ca 0.41 -2.81 0.00 0.00 -1.25 0.00 0.00 55.69 52.04 1yel s MET 101 Cb -0.09 -3.73 0.00 0.00 1.25 0.00 0.00 34.83 32.27 1yel s MET 101 CO 0.25 -1.20 0.00 0.00 1.05 0.00 0.00 175.02 175.12