#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 -3.40 -2.31 3.17 0.00 -1.26 -5.02 120.51 111.69 1yel n ALA 2 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 1yel n ALA 2 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 1yel n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yel s ASP 3 N -1.41 6.53 0.34 0.00 2.15 -1.26 -4.97 116.67 118.04 1yel s ASP 3 Ca 0.01 0.99 0.06 0.00 0.43 0.00 0.00 52.55 54.04 1yel s ASP 3 Cb -0.00 -2.26 0.72 0.00 -0.30 0.00 0.00 42.92 41.08 1yel s ASP 3 CO 0.65 -0.29 1.88 0.74 -0.17 0.00 0.00 175.17 177.99 1yel h THR 4 N 1.34 0.90 0.00 1.71 2.02 -2.01 -3.45 112.91 113.42 1yel h THR 4 Ca -0.47 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1yel h THR 4 Cb 1.19 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1yel h THR 4 CO 0.65 0.15 0.00 0.61 0.37 0.00 0.00 175.52 177.30 1yel n GLY 5 N -1.41 1.35 3.56 2.16 0.00 -1.26 -4.87 105.19 104.71 1yel n GLY 5 Ca 0.16 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.88 -0.02 1.61 2.12 -1.26 -4.25 118.70 118.78 1yel s GLU 6 Ca 0.00 0.74 0.08 0.00 0.36 0.00 0.00 54.97 56.15 1yel s GLU 6 Cb 0.00 -4.72 -0.02 0.00 0.26 0.00 0.00 34.13 29.65 1yel s GLU 6 CO 0.00 -3.90 -0.25 0.14 -0.54 0.00 0.00 175.26 170.70 1yel s VAL 7 N 13.33 2.11 0.09 3.70 -7.23 -0.99 -5.01 120.40 126.40 1yel s VAL 7 Ca 0.91 -1.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.03 1yel s VAL 7 Cb -0.14 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1yel s VAL 7 CO 0.14 0.58 -0.10 0.00 -0.31 0.00 0.00 175.10 175.41 1yel s GLN 8 N -0.62 0.83 0.08 4.82 0.00 -1.26 -0.32 119.66 123.19 1yel s GLN 8 Ca 0.10 -1.11 0.08 0.00 -0.00 0.00 0.00 55.36 54.43 1yel s GLN 8 Cb -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 33.01 32.32 1yel s GLN 8 CO -0.01 0.09 -0.21 0.12 0.00 0.00 0.00 175.29 175.28 1yel s PHE 9 N -2.25 1.81 -0.01 9.60 5.36 0.13 -4.95 117.98 127.66 1yel s PHE 9 Ca 0.04 -0.40 -0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1yel s PHE 9 Cb -0.04 -1.03 0.02 0.00 -0.34 0.00 0.00 43.02 41.63 1yel s PHE 9 CO 0.00 0.16 0.02 1.41 -1.46 0.00 0.00 175.22 175.36 1yel s MET 10 N -1.59 -0.02 -0.01 10.12 -2.45 -1.26 0.07 119.30 124.16 1yel s MET 10 Ca 0.07 0.12 -0.21 0.00 -1.25 0.00 0.00 55.69 54.42 1yel s MET 10 Cb -0.09 -0.15 0.04 0.00 1.25 0.00 0.00 34.83 35.88 1yel s MET 10 CO 0.03 -0.10 0.46 -1.59 1.05 0.00 0.00 175.02 174.87 1yel s LYS 11 N 0.65 0.86 0.19 4.11 -2.85 -1.13 -5.03 119.74 116.53 1yel s LYS 11 Ca -0.05 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.54 1yel s LYS 11 Cb -0.08 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.01 1yel s LYS 11 CO -0.02 -0.26 1.04 -2.14 0.10 0.00 0.00 175.35 174.07 1yel s PRO 12 N -1.55 4.67 -0.13 1.78 0.02 -1.26 -2.61 135.00 135.92 1yel s PRO 12 Ca -0.11 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 1yel s PRO 12 Cb -0.03 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1yel s PRO 12 CO 0.05 0.19 0.08 -0.59 -0.33 0.00 0.00 177.00 176.40 1yel s PHE 13 N -0.46 3.37 -0.24 6.54 -0.71 -1.26 -5.02 117.98 120.21 1yel s PHE 13 Ca 0.47 0.31 -0.09 0.00 -1.04 0.00 0.00 56.93 56.58 1yel s PHE 13 Cb -0.28 -1.93 -0.04 0.00 -1.21 0.00 0.00 43.02 39.56 1yel s PHE 13 CO 0.34 0.50 0.13 0.42 -1.34 0.00 0.00 175.22 175.28 1yel s ILE 14 N -0.62 5.02 0.60 -4.49 1.09 -1.26 -4.00 121.20 117.54 1yel s ILE 14 Ca 0.12 0.06 0.29 0.00 -1.10 0.00 0.00 60.65 60.02 1yel s ILE 14 Cb -0.12 -3.34 0.37 0.00 -1.06 0.00 0.00 42.46 38.31 1yel s ILE 14 CO 0.02 0.34 1.95 0.28 -0.10 0.00 0.00 174.94 177.43 1yel h SER 15 N 7.71 0.00 -0.92 3.58 0.02 -1.93 0.19 113.55 122.20 1yel h SER 15 Ca -0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1yel h SER 15 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1yel h SER 15 CO 0.62 0.00 0.56 -0.08 -1.14 0.00 0.00 176.83 176.80 1yel h GLU 16 N 0.00 1.24 0.00 3.45 4.81 -1.99 -2.58 114.58 119.51 1yel h GLU 16 Ca 0.16 -0.11 -0.33 0.00 -0.13 0.00 0.00 59.36 58.96 1yel h GLU 16 Cb 0.97 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 1yel h GLU 16 CO -0.00 0.86 -2.23 1.63 -0.73 0.00 0.00 179.01 178.54 1yel n LYS 17 N -4.39 0.76 0.00 1.92 4.01 -0.06 -4.53 118.16 115.87 1yel n LYS 17 Ca 0.10 0.08 0.04 0.00 -0.51 0.00 0.00 58.31 58.03 1yel n LYS 17 Cb 0.05 -1.44 0.21 0.00 -0.51 0.00 0.00 35.03 33.34 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 -2.98 0.00 0.20 4.39 3.41 0.46 0.11 113.62 119.20 1yel n SER 18 Ca -0.35 0.34 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 1yel n SER 18 Cb 0.96 -0.40 0.48 0.00 -0.26 0.00 0.00 64.21 64.99 1yel n SER 18 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1yel h SER 19 N 0.00 0.00 0.00 4.04 0.02 -1.69 -3.39 113.55 112.52 1yel h SER 19 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yel h SER 19 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1yel h SER 19 CO 0.00 0.00 -0.27 0.29 -1.14 0.00 0.00 176.83 175.71 1yel n LYS 20 N -2.72 0.72 -4.08 3.45 4.76 0.47 -4.49 118.16 116.27 1yel n LYS 20 Ca 0.03 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 1yel n LYS 20 Cb 0.35 -0.64 -0.07 0.00 -1.84 0.00 0.00 35.03 32.84 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 -2.12 0.03 -0.16 4.39 1.04 0.12 -3.88 113.70 113.11 1yel s SER 21 Ca 0.00 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.30 1yel s SER 21 Cb 0.00 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.68 1yel s SER 21 CO 0.00 -1.03 0.01 -0.22 0.98 0.00 0.00 173.24 172.98 1yel s LEU 22 N -3.08 1.13 0.04 2.42 1.98 0.12 -2.87 118.68 118.42 1yel s LEU 22 Ca 0.29 -0.61 -0.30 0.00 -2.89 0.00 0.00 54.13 50.61 1yel s LEU 22 Cb 0.02 -0.62 -0.04 0.00 0.66 0.00 0.00 46.19 46.21 1yel s LEU 22 CO 0.10 -0.26 0.98 -1.61 -1.89 0.00 0.00 176.35 173.68 1yel s GLU 23 N 1.84 4.60 -0.11 1.98 8.01 -1.26 -0.98 118.70 132.78 1yel s GLU 23 Ca 0.01 1.44 0.00 0.00 0.01 0.00 0.00 54.97 56.43 1yel s GLU 23 Cb -0.16 -3.43 -0.02 0.00 -4.31 0.00 0.00 34.13 26.22 1yel s GLU 23 CO -0.07 0.03 -0.12 0.42 0.01 0.00 0.00 175.26 175.52 1yel s ILE 24 N 0.69 3.17 0.60 -1.63 1.01 -1.11 -4.96 121.20 118.97 1yel s ILE 24 Ca 0.51 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 1yel s ILE 24 Cb -0.22 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1yel s ILE 24 CO 0.29 0.54 1.13 -2.65 0.00 0.00 0.00 174.94 174.24 1yel n PRO 25 N 3.21 1.12 0.02 2.79 -0.02 -1.26 -4.15 135.00 136.73 1yel n PRO 25 Ca -0.18 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 1yel n PRO 25 Cb 0.53 -2.34 0.36 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.72 0.43 -1.41 2.45 6.46 -1.92 -1.60 115.31 120.44 1yel h LEU 26 Ca -0.49 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.23 1yel h LEU 26 Cb 1.35 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 1yel h LEU 26 CO 0.53 0.46 0.42 1.23 -0.62 0.00 0.00 178.44 180.45 1yel h GLY 27 N 0.72 0.87 1.99 3.75 0.00 -1.91 -0.58 103.07 107.90 1yel h GLY 27 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1yel h GLY 27 CO -0.00 0.28 -0.07 -2.75 0.00 0.00 0.00 176.54 174.00 1yel h PHE 28 N 0.79 0.00 -0.40 5.60 3.57 -1.67 -2.75 116.94 122.08 1yel h PHE 28 Ca 0.25 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1yel h PHE 28 Cb 0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1yel h PHE 28 CO -0.00 0.05 -0.02 -0.97 -2.23 0.00 0.00 178.31 175.14 1yel h ASN 29 N 0.00 0.71 0.52 0.41 -1.24 -0.75 -2.41 115.58 112.81 1yel h ASN 29 Ca -0.00 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1yel h ASN 29 Cb 1.04 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1yel h ASN 29 CO 0.01 0.86 0.00 -0.62 -1.29 0.00 0.00 177.43 176.39 1yel n GLU 30 N -4.42 0.05 0.20 6.67 1.02 -0.62 -1.67 120.64 121.86 1yel n GLU 30 Ca -0.01 0.31 0.07 0.00 -0.02 0.00 0.00 57.16 57.51 1yel n GLU 30 Cb 0.30 -1.59 0.37 0.00 -0.02 0.00 0.00 31.44 30.50 1yel n GLU 30 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1yel h TYR 31 N 0.00 0.00 -0.61 -0.32 3.20 -1.14 -3.42 116.97 114.67 1yel h TYR 31 Ca 0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1yel h TYR 31 Cb 0.26 0.00 -0.19 0.00 1.54 0.00 0.00 36.73 38.34 1yel h TYR 31 CO 0.00 0.32 -0.23 -0.59 -1.64 0.00 0.00 178.16 176.03 1yel s PHE 32 N -3.61 -1.11 0.15 -3.82 -0.71 -0.67 -5.11 117.98 103.09 1yel s PHE 32 Ca 0.00 0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 1yel s PHE 32 Cb 0.11 0.20 -0.07 0.00 -1.21 0.00 0.00 43.02 42.04 1yel s PHE 32 CO 0.67 -0.69 1.02 -2.14 -1.34 0.00 0.00 175.22 172.74 1yel s PRO 33 N 2.49 4.66 0.13 1.99 0.02 -1.18 -4.88 135.00 138.23 1yel s PRO 33 Ca 0.18 1.57 -0.15 0.00 0.02 0.00 0.00 61.00 62.62 1yel s PRO 33 Cb -0.04 -3.33 0.03 0.00 0.02 0.00 0.00 34.50 31.18 1yel s PRO 33 CO -0.19 0.16 0.38 0.00 -0.33 0.00 0.00 177.00 177.02 1yel s ALA 34 N -0.15 -0.82 0.70 -1.55 0.00 -1.26 -5.15 121.76 113.54 1yel s ALA 34 Ca 0.48 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 1yel s ALA 34 Cb -0.26 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1yel s ALA 34 CO 0.32 -0.63 1.20 -2.14 0.00 0.00 0.00 175.76 174.50 1yel s PRO 35 N -3.82 2.32 0.15 0.00 0.02 -1.26 -4.90 135.00 127.52 1yel s PRO 35 Ca 0.04 1.73 -0.31 0.00 0.02 0.00 0.00 61.00 62.49 1yel s PRO 35 Cb 0.02 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 1yel s PRO 35 CO -0.11 -1.69 1.36 -0.59 -0.33 0.00 0.00 177.00 175.64 1yel s PHE 36 N -1.96 3.24 0.57 6.54 -0.12 -1.26 -4.85 117.98 120.14 1yel s PHE 36 Ca 0.74 1.05 -0.15 0.00 -0.05 0.00 0.00 56.93 58.52 1yel s PHE 36 Cb -0.29 -3.66 -0.06 0.00 -0.63 0.00 0.00 43.02 38.39 1yel s PHE 36 CO 0.43 -2.22 1.01 -1.25 -0.05 0.00 0.00 175.22 173.14 1yel s PRO 37 N 0.60 3.68 -0.02 1.99 0.04 -1.26 -4.92 135.00 135.11 1yel s PRO 37 Ca 0.62 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 1yel s PRO 37 Cb -0.37 -2.09 -0.32 0.00 0.04 0.00 0.00 34.50 31.75 1yel s PRO 37 CO 0.34 -0.50 0.79 0.82 0.04 0.00 0.00 177.00 178.49 1yel h ILE 38 N 0.43 1.06 -3.33 0.56 1.08 -1.95 -3.42 117.51 111.94 1yel h ILE 38 Ca -0.46 -2.59 -0.04 0.00 -0.39 0.00 0.00 64.86 61.38 1yel h ILE 38 Cb 1.19 2.86 -0.13 0.00 -3.07 0.00 0.00 36.82 37.68 1yel h ILE 38 CO 0.60 0.84 -0.02 -0.89 -0.69 0.00 0.00 178.15 178.00 1yel s THR 39 N -2.59 0.05 0.09 -0.27 2.01 -1.26 -4.49 115.64 109.19 1yel s THR 39 Ca -0.13 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1yel s THR 39 Cb 0.05 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1yel s THR 39 CO 0.89 -0.25 -0.07 0.68 -0.69 0.00 0.00 174.62 175.18 1yel s VAL 40 N -3.80 0.71 -0.10 3.82 -7.23 0.44 -4.83 120.40 109.41 1yel s VAL 40 Ca 0.03 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1yel s VAL 40 Cb 0.01 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1yel s VAL 40 CO -0.11 -0.80 -0.12 -1.81 -0.31 0.00 0.00 175.10 171.94 1yel s ASP 41 N -2.87 4.14 -0.23 4.85 1.01 -1.23 -1.18 116.67 121.17 1yel s ASP 41 Ca 0.09 -0.24 -0.06 0.00 0.71 0.00 0.00 52.55 53.06 1yel s ASP 41 Cb 0.03 -1.32 -0.02 0.00 1.01 0.00 0.00 42.92 42.62 1yel s ASP 41 CO -0.04 0.25 0.01 -0.76 0.21 0.00 0.00 175.17 174.84 1yel s LEU 42 N -0.14 3.19 0.21 1.23 1.43 0.90 -0.71 118.68 124.79 1yel s LEU 42 Ca -0.00 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1yel s LEU 42 Cb -0.13 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1yel s LEU 42 CO 0.03 -0.01 0.21 -0.76 0.23 0.00 0.00 176.35 176.05 1yel s LEU 43 N 1.46 3.95 0.04 1.79 1.43 0.18 0.15 118.68 127.68 1yel s LEU 43 Ca 0.05 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1yel s LEU 43 Cb -0.15 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1yel s LEU 43 CO 0.01 0.01 -0.08 -0.62 0.23 0.00 0.00 176.35 175.89 1yel s ASP 44 N -3.53 4.52 0.48 2.29 2.15 0.48 0.24 116.67 123.30 1yel s ASP 44 Ca 0.33 -0.23 0.22 0.00 0.43 0.00 0.00 52.55 53.29 1yel s ASP 44 Cb -0.09 -0.98 1.24 0.00 -0.30 0.00 0.00 42.92 42.79 1yel s ASP 44 CO 0.25 0.25 2.02 0.22 -0.17 0.00 0.00 175.17 177.74 1yel h TYR 45 N 4.23 0.00 0.03 -5.34 3.20 -1.84 -3.14 116.97 114.11 1yel h TYR 45 Ca -0.48 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.12 1yel h TYR 45 Cb 1.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1yel h TYR 45 CO 0.58 0.16 -1.43 0.77 -1.64 0.00 0.00 178.16 176.60 1yel h SER 46 N 0.00 0.10 0.00 -2.11 0.02 -1.95 -3.49 113.55 106.13 1yel h SER 46 Ca -0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1yel h SER 46 Cb 0.36 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1yel h SER 46 CO 0.02 1.58 0.00 0.61 -1.14 0.00 0.00 176.83 177.90 1yel n GLY 47 N 1.56 0.00 3.81 -3.77 0.00 -1.19 -5.16 105.19 100.44 1yel n GLY 47 Ca -0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 2.83 -0.10 1.61 0.52 -1.26 -4.82 118.95 117.72 1yel s ARG 48 Ca 0.00 1.03 -0.08 0.00 -0.52 0.00 0.00 55.73 56.16 1yel s ARG 48 Cb 0.00 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.53 1yel s ARG 48 CO 0.00 -1.19 0.26 -1.54 0.02 0.00 0.00 175.30 172.85 1yel s SER 49 N -3.61 -0.28 0.01 0.23 1.04 -1.26 -0.39 113.70 109.45 1yel s SER 49 Ca 0.59 0.53 0.04 0.00 0.48 0.00 0.00 55.95 57.59 1yel s SER 49 Cb -0.15 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1yel s SER 49 CO 0.53 -0.12 -0.11 0.26 0.98 0.00 0.00 173.24 174.79 1yel s TRP 50 N 0.51 1.01 -0.31 5.02 0.51 0.12 -5.00 118.94 120.80 1yel s TRP 50 Ca -0.03 -0.25 -0.08 0.00 -2.12 0.00 0.00 56.10 53.62 1yel s TRP 50 Cb -0.05 -0.63 0.01 0.00 -0.81 0.00 0.00 33.47 31.99 1yel s TRP 50 CO -0.03 -0.01 0.12 0.99 -0.51 0.00 0.00 176.95 177.52 1yel s THR 51 N -0.51 4.24 0.18 2.01 2.01 -1.26 -0.07 115.64 122.24 1yel s THR 51 Ca 0.02 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.47 1yel s THR 51 Cb -0.06 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1yel s THR 51 CO 0.00 0.03 -0.17 0.68 -0.69 0.00 0.00 174.62 174.48 1yel s VAL 52 N 1.54 1.77 -0.21 3.82 -7.23 -0.32 -4.76 120.40 115.02 1yel s VAL 52 Ca 0.03 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.09 1yel s VAL 52 Cb -0.17 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1yel s VAL 52 CO 0.04 -0.42 0.12 -0.60 -0.31 0.00 0.00 175.10 173.93 1yel s ARG 53 N -3.09 4.11 0.02 4.82 3.52 -0.38 -0.42 118.95 127.53 1yel s ARG 53 Ca 0.18 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.57 1yel s ARG 53 Cb -0.04 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1yel s ARG 53 CO 0.07 0.23 -0.16 1.41 -0.81 0.00 0.00 175.30 176.03 1yel s MET 54 N 0.54 1.17 0.01 5.12 -2.45 -1.26 0.16 119.30 122.59 1yel s MET 54 Ca 0.07 -0.75 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 1yel s MET 54 Cb -0.12 -1.19 -0.01 0.00 1.25 0.00 0.00 34.83 34.76 1yel s MET 54 CO -0.00 0.31 -0.07 0.15 1.05 0.00 0.00 175.02 176.45 1yel s LYS 55 N -0.91 0.55 -0.24 4.11 1.02 0.21 -4.28 119.74 120.19 1yel s LYS 55 Ca 0.05 -0.43 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 1yel s LYS 55 Cb -0.08 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.74 1yel s LYS 55 CO 0.01 0.12 0.50 0.15 -0.92 0.00 0.00 175.35 175.21 1yel s LYS 56 N -0.67 4.10 -0.32 1.68 -0.14 -1.26 -1.35 119.74 121.77 1yel s LYS 56 Ca -0.01 0.33 -0.01 0.00 -1.36 0.00 0.00 55.97 54.91 1yel s LYS 56 Cb -0.05 -3.62 0.11 0.00 -1.68 0.00 0.00 37.83 32.58 1yel s LYS 56 CO 0.00 -0.28 0.13 0.50 -0.76 0.00 0.00 175.35 174.94 1yel s ARG 57 N 2.09 0.61 5.96 1.68 3.52 0.39 -4.68 118.95 128.53 1yel s ARG 57 Ca 0.21 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1yel s ARG 57 Cb -0.16 -1.73 0.00 0.00 -1.56 0.00 0.00 34.95 31.50 1yel s ARG 57 CO 0.09 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 173.96 1yel n GLY 58 N 4.75 1.43 0.14 8.12 0.00 -1.26 -1.41 105.19 116.96 1yel n GLY 58 Ca -0.01 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 1.91 -4.50 1.61 0.00 -1.26 -4.98 120.64 113.42 1yel n GLU 59 Ca 0.00 -0.31 -0.27 0.00 0.00 0.00 0.00 57.16 56.58 1yel n GLU 59 Cb 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 31.44 30.11 1yel n GLU 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1yel s LYS 60 N -2.21 1.96 0.01 3.44 2.20 -0.50 -4.73 119.74 119.92 1yel s LYS 60 Ca 0.09 -1.98 0.05 0.00 -0.36 0.00 0.00 55.97 53.77 1yel s LYS 60 Cb 0.12 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.68 1yel s LYS 60 CO 0.53 0.03 -0.15 0.14 -0.36 0.00 0.00 175.35 175.54 1yel s VAL 61 N -2.64 1.20 -0.02 4.02 -7.23 -1.26 -0.46 120.40 114.01 1yel s VAL 61 Ca 0.35 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1yel s VAL 61 Cb 0.06 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.99 1yel s VAL 61 CO 0.18 0.22 0.05 0.12 -0.31 0.00 0.00 175.10 175.36 1yel s PHE 62 N -0.55 -0.02 -0.33 2.82 5.36 -0.46 -2.75 117.98 122.06 1yel s PHE 62 Ca 0.05 0.17 -0.15 0.00 -0.96 0.00 0.00 56.93 56.04 1yel s PHE 62 Cb -0.07 -0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.44 1yel s PHE 62 CO 0.00 -0.08 0.34 -1.17 -1.46 0.00 0.00 175.22 172.85 1yel s LEU 63 N 0.84 4.40 0.00 6.12 0.20 -0.15 -0.62 118.68 129.48 1yel s LEU 63 Ca -0.07 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 54.54 1yel s LEU 63 Cb -0.10 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 1yel s LEU 63 CO -0.03 -0.31 0.00 1.07 -0.29 0.00 0.00 176.35 176.80 1yel n THR 64 N 5.21 0.00 -1.68 3.68 5.66 0.12 0.14 114.28 127.41 1yel n THR 64 Ca -0.10 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.50 1yel n THR 64 Cb 0.50 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.29 1yel n THR 64 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1yel n VAL 65 N 0.00 2.77 0.00 1.08 0.24 -1.25 -2.93 118.33 118.23 1yel n VAL 65 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1yel n VAL 65 Cb 0.00 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 1yel n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yel n GLY 66 N 0.92 1.55 0.37 7.63 0.00 -1.26 -1.25 105.19 113.15 1yel n GLY 66 Ca 0.08 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.67 -1.29 115.95 117.51 1yel h TRP 67 Ca 0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1yel h TRP 67 Cb 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1yel h TRP 67 CO 0.00 0.00 -0.13 1.05 -1.03 0.00 0.00 178.44 178.33 1yel h GLU 68 N 0.00 0.00 -0.70 2.65 4.11 -1.79 -1.36 114.58 117.49 1yel h GLU 68 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 1yel h GLU 68 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1yel h GLU 68 CO -0.00 0.13 0.37 -0.91 0.07 0.00 0.00 179.01 178.66 1yel h ASN 69 N 0.00 0.88 -0.02 3.06 2.35 -1.60 0.16 115.58 120.41 1yel h ASN 69 Ca -0.00 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1yel h ASN 69 Cb 0.29 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1yel h ASN 69 CO 0.02 0.72 -0.16 0.15 -1.65 0.00 0.00 177.43 176.51 1yel h PHE 70 N 0.98 0.20 -0.51 1.19 3.57 -1.43 -0.05 116.94 120.89 1yel h PHE 70 Ca 0.25 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1yel h PHE 70 Cb 0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1yel h PHE 70 CO 0.01 0.82 0.06 -0.24 -2.23 0.00 0.00 178.31 176.72 1yel h VAL 71 N -0.47 1.26 -0.29 1.41 3.04 -1.27 -0.95 116.25 118.97 1yel h VAL 71 Ca -0.01 -0.99 -0.19 0.00 -1.01 0.00 0.00 66.70 64.50 1yel h VAL 71 Cb 0.84 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1yel h VAL 71 CO 0.03 0.35 -0.55 0.11 -1.01 0.00 0.00 177.57 176.50 1yel h LYS 72 N 0.74 0.87 -0.22 4.17 1.57 -1.04 -1.11 116.57 121.55 1yel h LYS 72 Ca 0.15 -0.55 -0.19 0.00 -1.87 0.00 0.00 60.65 58.19 1yel h LYS 72 Cb 0.44 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1yel h LYS 72 CO 0.02 1.19 -0.60 0.22 -0.57 0.00 0.00 179.45 179.70 1yel h ASP 73 N 0.67 0.85 -0.04 0.86 3.58 -0.78 -3.15 116.42 118.41 1yel h ASP 73 Ca 0.01 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1yel h ASP 73 Cb 1.16 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1yel h ASP 73 CO 0.12 1.25 0.00 0.59 -2.88 0.00 0.00 179.24 178.33 1yel n ASN 74 N -3.97 2.35 -2.95 2.28 4.13 -0.38 -5.00 115.26 111.73 1yel n ASN 74 Ca -0.05 -1.78 -0.11 0.00 1.68 0.00 0.00 54.58 54.32 1yel n ASN 74 Cb 0.65 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.89 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 0.84 -7.51 -4.25 6.41 5.15 -0.74 -5.01 115.26 110.14 1yel n ASN 75 Ca 0.16 0.62 -0.31 0.00 -0.60 0.00 0.00 54.58 54.46 1yel n ASN 75 Cb 0.49 -4.56 -0.16 0.00 -0.53 0.00 0.00 39.78 35.01 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 -2.27 2.05 0.06 1.20 1.43 -0.50 -5.04 118.68 115.61 1yel s LEU 76 Ca 0.20 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1yel s LEU 76 Cb -0.05 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1yel s LEU 76 CO 0.74 0.24 -0.04 -1.83 0.23 0.00 0.00 176.35 175.70 1yel s GLU 77 N -0.20 0.64 0.11 1.70 -1.05 -1.26 -4.91 118.70 113.72 1yel s GLU 77 Ca -0.02 -1.17 -0.34 0.00 -0.15 0.00 0.00 54.97 53.29 1yel s GLU 77 Cb -0.13 0.08 -0.14 0.00 -0.44 0.00 0.00 34.13 33.50 1yel s GLU 77 CO 0.03 -0.07 1.60 -0.40 0.95 0.00 0.00 175.26 177.36 1yel n ASP 78 N 0.26 2.96 0.00 0.83 5.68 -1.26 -3.13 116.55 121.90 1yel n ASP 78 Ca -0.15 1.07 0.00 0.00 -0.50 0.00 0.00 54.79 55.21 1yel n ASP 78 Cb 0.60 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.20 1yel n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yel n GLY 79 N 3.47 3.35 3.95 6.12 0.00 -1.26 -4.99 105.19 115.82 1yel n GLY 79 Ca 0.18 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 3.07 0.09 1.61 1.02 -1.18 -4.91 119.74 119.44 1yel s LYS 80 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 55.97 55.60 1yel s LYS 80 Cb 0.00 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1yel s LYS 80 CO 0.00 -0.30 -0.11 0.71 -0.92 0.00 0.00 175.35 174.74 1yel s TYR 81 N -2.59 1.08 0.07 3.18 2.02 -1.18 -4.03 117.35 115.89 1yel s TYR 81 Ca 0.49 -0.62 0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1yel s TYR 81 Cb -0.10 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1yel s TYR 81 CO 0.39 0.01 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.76 1yel s LEU 82 N -2.32 2.97 -0.17 -1.29 2.01 -1.07 0.26 118.68 119.07 1yel s LEU 82 Ca 0.04 -0.34 -0.01 0.00 0.01 0.00 0.00 54.13 53.83 1yel s LEU 82 Cb -0.04 -1.76 -0.00 0.00 0.01 0.00 0.00 46.19 44.40 1yel s LEU 82 CO 0.01 0.22 -0.13 -1.58 1.01 0.00 0.00 176.35 175.88 1yel s GLN 83 N -1.86 3.26 -0.27 1.70 0.74 0.48 -2.86 119.66 120.85 1yel s GLN 83 Ca 0.19 -0.71 -0.06 0.00 0.05 0.00 0.00 55.36 54.82 1yel s GLN 83 Cb -0.11 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1yel s GLN 83 CO 0.10 -0.04 0.05 -0.06 -0.55 0.00 0.00 175.29 174.79 1yel s PHE 84 N 0.98 3.10 -0.18 1.67 0.40 0.11 -1.07 117.98 122.99 1yel s PHE 84 Ca -0.02 -0.95 -0.04 0.00 -0.60 0.00 0.00 56.93 55.33 1yel s PHE 84 Cb -0.15 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1yel s PHE 84 CO -0.02 -0.56 -0.04 0.42 0.70 0.00 0.00 175.22 175.72 1yel s ILE 85 N 1.50 3.61 0.21 0.64 1.01 0.60 0.17 121.20 128.93 1yel s ILE 85 Ca 0.03 -0.44 0.11 0.00 0.00 0.00 0.00 60.65 60.36 1yel s ILE 85 Cb -0.16 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1yel s ILE 85 CO 0.01 0.46 -0.22 -0.72 0.00 0.00 0.00 174.94 174.46 1yel s TYR 86 N 0.90 2.32 0.00 3.97 1.13 0.56 0.53 117.35 126.76 1yel s TYR 86 Ca -0.01 -0.35 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 1yel s TYR 86 Cb -0.15 -1.11 0.00 0.00 -1.10 0.00 0.00 41.96 39.60 1yel s TYR 86 CO 0.01 0.55 0.00 -3.47 -2.51 0.00 0.00 175.55 170.13 1yel n ASP 87 N 0.05 0.00 -0.32 -0.18 2.03 -1.26 -2.35 116.55 114.52 1yel n ASP 87 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1yel n ASP 87 Cb 0.57 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1yel n ASP 87 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1yel n ARG 88 N -1.32 0.00 -3.25 -0.67 5.12 -1.26 -4.69 116.66 110.59 1yel n ARG 88 Ca 0.00 -0.68 -0.12 0.00 -1.93 0.00 0.00 57.85 55.11 1yel n ARG 88 Cb 0.00 -0.41 -0.04 0.00 -1.16 0.00 0.00 32.46 30.85 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 0.65 -1.58 0.55 2.03 -1.26 -5.04 116.55 111.90 1yel n ASP 89 Ca 0.00 -2.15 0.04 0.00 0.52 0.00 0.00 54.79 53.20 1yel n ASP 89 Cb 0.61 0.65 0.30 0.00 -0.72 0.00 0.00 41.12 41.96 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 -0.44 3.88 -4.54 -0.67 -4.01 -1.26 -4.82 116.66 104.80 1yel n ARG 90 Ca -0.01 -2.39 -0.34 0.00 -1.04 0.00 0.00 57.85 54.07 1yel n ARG 90 Cb 0.32 -2.08 -0.12 0.00 -3.04 0.00 0.00 32.46 27.54 1yel n ARG 90 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 1yel s THR 91 N -2.35 3.69 -0.05 8.89 -1.32 -1.26 -3.48 115.64 119.76 1yel s THR 91 Ca 0.42 -0.45 0.03 0.00 -1.21 0.00 0.00 61.69 60.48 1yel s THR 91 Cb 0.32 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.71 1yel s THR 91 CO 0.12 0.53 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.58 1yel s PHE 92 N 0.00 2.77 -0.31 9.09 0.40 0.11 -4.35 117.98 125.71 1yel s PHE 92 Ca -0.00 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.09 1yel s PHE 92 Cb -0.14 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1yel s PHE 92 CO 0.03 0.25 0.29 0.71 0.70 0.00 0.00 175.22 177.19 1yel s TYR 93 N -0.78 3.22 -0.14 0.36 2.02 0.19 0.52 117.35 122.73 1yel s TYR 93 Ca 0.12 0.06 -0.05 0.00 -0.37 0.00 0.00 57.07 56.83 1yel s TYR 93 Cb -0.11 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 1yel s TYR 93 CO 0.01 -0.30 0.04 0.08 -1.57 0.00 0.00 175.55 173.82 1yel s VAL 94 N 1.89 4.66 -0.06 0.71 1.01 0.14 -0.29 120.40 128.45 1yel s VAL 94 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.04 1yel s VAL 94 Cb -0.16 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1yel s VAL 94 CO 0.11 0.53 -0.24 -0.63 0.00 0.00 0.00 175.10 174.87 1yel s ILE 95 N -0.24 2.03 -0.26 2.22 1.01 -0.23 -3.09 121.20 122.63 1yel s ILE 95 Ca 0.07 -1.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 1yel s ILE 95 Cb -0.12 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1yel s ILE 95 CO 0.02 0.56 0.17 -0.63 0.00 0.00 0.00 174.94 175.06 1yel s ILE 96 N -0.06 5.22 0.53 2.92 1.09 -1.26 -0.39 121.20 129.25 1yel s ILE 96 Ca -0.06 0.14 -0.07 0.00 -1.10 0.00 0.00 60.65 59.55 1yel s ILE 96 Cb -0.14 -3.47 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 1yel s ILE 96 CO 0.05 0.29 0.86 -0.31 -0.10 0.00 0.00 174.94 175.72 1yel s TYR 97 N 1.54 3.56 0.00 3.97 2.02 0.14 -4.70 117.35 123.88 1yel s TYR 97 Ca 0.07 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1yel s TYR 97 Cb -0.15 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 1yel s TYR 97 CO 0.08 -0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.04 1yel n GLY 98 N -2.42 0.61 1.69 0.71 0.00 -1.26 -3.12 105.19 101.40 1yel n GLY 98 Ca 0.02 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 -0.43 0.27 1.61 -0.00 0.50 -4.86 115.22 112.32 1yel n HIS 99 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 1yel n HIS 99 Cb 0.00 0.42 0.34 0.00 -0.12 0.00 0.00 29.99 30.64 1yel n HIS 99 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1yel h ASN 100 N 0.00 0.00 0.00 0.26 4.21 -2.02 -3.43 115.58 114.61 1yel h ASN 100 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1yel h ASN 100 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1yel h ASN 100 CO 0.00 0.00 0.00 0.80 -1.29 0.00 0.00 177.43 176.94 1yel n MET 101 N -3.01 0.00 0.00 0.81 0.00 -1.26 -5.30 117.12 108.36 1yel n MET 101 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.73 1yel n MET 101 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.67 1yel n MET 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97