#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beg s ALA 2 N 0.00 2.95 0.70 2.41 0.00 -1.05 -0.32 121.76 126.46 1beg s ALA 2 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 1beg s ALA 2 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1beg s ALA 2 CO 0.00 -0.76 1.10 0.00 0.00 0.00 0.00 175.76 176.10 1beg n THR 4 N -2.81 0.00 0.04 0.00 -1.04 -1.26 -4.85 114.28 104.36 1beg n THR 4 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1beg n THR 4 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1beg n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg n ALA 5 N -3.00 3.00 -0.16 2.41 0.00 -1.26 -4.43 120.51 117.07 1beg n ALA 5 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1beg n ALA 5 Cb 0.00 0.20 0.34 0.00 0.00 0.00 0.00 19.45 19.98 1beg n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg h THR 6 N 0.00 1.09 -0.11 0.00 1.03 -1.99 -0.92 112.91 112.01 1beg h THR 6 Ca 0.00 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 66.10 1beg h THR 6 Cb 0.00 0.22 -0.00 0.00 -1.07 0.00 0.00 68.15 67.30 1beg h THR 6 CO 0.00 0.14 -0.04 1.56 -0.01 0.00 0.00 175.52 177.17 1beg h GLN 7 N 0.79 0.22 -0.60 0.00 7.50 -1.96 -2.57 115.11 118.50 1beg h GLN 7 Ca 0.27 -0.09 -0.07 0.00 0.50 0.00 0.00 58.65 59.26 1beg h GLN 7 Cb 0.09 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1beg h GLN 7 CO -0.08 0.55 0.12 0.37 -1.50 0.00 0.00 178.83 178.30 1beg h GLN 8 N -0.11 0.98 -0.49 1.46 4.15 -1.68 -1.94 115.11 117.48 1beg h GLN 8 Ca 0.03 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 1beg h GLN 8 Cb 0.48 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1beg h GLN 8 CO 0.01 0.91 -0.05 1.79 -1.93 0.00 0.00 178.83 179.57 1beg h THR 9 N 0.89 1.25 0.28 2.39 1.35 -1.22 0.71 112.91 118.57 1beg h THR 9 Ca 0.19 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 1beg h THR 9 Cb 0.39 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1beg h THR 9 CO 0.01 0.39 -0.14 0.00 -0.25 0.00 0.00 175.52 175.53 1beg h ALA 10 N 1.16 -0.38 -0.95 6.62 0.00 -1.25 -0.56 119.26 123.90 1beg h ALA 10 Ca 0.14 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1beg h ALA 10 Cb 0.54 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1beg h ALA 10 CO 0.03 -0.60 0.62 0.00 0.00 0.00 0.00 179.25 179.30 1beg h ALA 11 N 0.04 1.48 0.54 0.00 0.00 -1.23 -2.80 119.26 117.28 1beg h ALA 11 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1beg h ALA 11 Cb 0.44 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1beg h ALA 11 CO 0.06 0.37 -0.26 1.88 0.00 0.00 0.00 179.25 181.31 1beg h TYR 12 N 1.08 -0.67 -0.84 0.00 -1.99 -0.67 -1.70 116.97 112.18 1beg h TYR 12 Ca 0.42 -0.02 0.16 0.00 2.00 0.00 0.00 58.73 61.29 1beg h TYR 12 Cb 0.22 0.22 -0.16 0.00 2.00 0.00 0.00 36.73 39.01 1beg h TYR 12 CO -0.00 -0.42 -0.25 -0.22 -0.00 0.00 0.00 178.16 177.27 1beg h LYS 13 N -0.90 -0.02 0.64 4.88 3.64 -0.98 0.23 116.57 124.06 1beg h LYS 13 Ca -0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1beg h LYS 13 Cb 0.56 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1beg h LYS 13 CO 0.12 -0.01 -0.31 1.15 -2.27 0.00 0.00 179.45 178.13 1beg h THR 14 N -0.02 0.00 0.25 1.00 2.02 -1.54 -2.27 112.91 112.35 1beg h THR 14 Ca 0.38 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1beg h THR 14 Cb 0.61 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1beg h THR 14 CO -0.86 0.00 -0.38 0.25 0.37 0.00 0.00 175.52 174.90 1beg h LEU 15 N -1.06 -1.08 -1.03 2.58 5.85 -0.87 -2.56 115.31 117.14 1beg h LEU 15 Ca -0.09 0.10 0.18 0.00 0.84 0.00 0.00 57.88 58.91 1beg h LEU 15 Cb 0.66 0.38 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 1beg h LEU 15 CO 0.14 -0.46 0.62 0.58 -0.34 0.00 0.00 178.44 178.98 1beg h VAL 16 N -0.66 0.75 -0.59 1.05 2.07 -0.70 0.59 116.25 118.76 1beg h VAL 16 Ca -0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1beg h VAL 16 Cb 0.61 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1beg h VAL 16 CO -0.11 0.15 0.26 0.28 0.02 0.00 0.00 177.57 178.16 1beg h SER 17 N 0.80 0.76 -1.57 0.57 0.02 -1.17 -3.43 113.55 109.53 1beg h SER 17 Ca 0.56 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1beg h SER 17 Cb 0.82 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1beg h SER 17 CO -0.35 0.66 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 1beg n ILE 18 N -4.34 0.00 0.00 3.27 0.00 0.20 -4.62 119.36 113.87 1beg n ILE 18 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.80 1beg n ILE 18 Cb 0.14 -1.60 0.00 0.00 0.00 0.00 0.00 39.64 38.18 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1beg n LEU 19 N 0.00 0.00 -1.43 9.51 4.77 -1.26 -4.54 117.00 124.06 1beg n LEU 19 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1beg n LEU 19 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1beg n LEU 19 CO 0.00 0.00 0.76 -0.24 -1.33 0.00 0.00 177.39 176.58 1beg n SER 20 N 3.18 3.31 -4.46 -1.43 2.88 -1.26 -4.74 113.62 111.10 1beg n SER 20 Ca 0.00 -2.64 -0.25 0.00 -1.33 0.00 0.00 58.87 54.64 1beg n SER 20 Cb 0.00 -0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 62.72 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1beg s ASP 21 N -0.18 3.60 0.00 -3.46 2.15 -1.26 -5.04 116.67 112.48 1beg s ASP 21 Ca 0.26 -0.93 0.12 0.00 0.43 0.00 0.00 52.55 52.43 1beg s ASP 21 Cb 0.21 -0.32 0.56 0.00 -0.30 0.00 0.00 42.92 43.07 1beg s ASP 21 CO 0.06 0.07 1.37 0.00 -0.17 0.00 0.00 175.17 176.50 1beg n ALA 22 N -0.26 1.61 0.04 3.66 0.00 -1.26 -3.52 120.51 120.78 1beg n ALA 22 Ca -0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1beg n ALA 22 Cb 0.58 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 1beg n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1beg h SER 23 N 0.00 -0.17 -0.56 0.00 0.87 -1.95 -3.05 113.55 108.69 1beg h SER 23 Ca 0.00 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1beg h SER 23 Cb 0.18 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1beg h SER 23 CO 0.00 0.40 0.31 0.15 -0.53 0.00 0.00 176.83 177.16 1beg h PHE 24 N -0.98 0.76 -0.36 2.24 3.04 -1.86 -2.71 116.94 117.06 1beg h PHE 24 Ca -0.02 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.96 1beg h PHE 24 Cb 0.41 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 1beg h PHE 24 CO 0.07 0.55 0.11 -0.97 -2.02 0.00 0.00 178.31 176.05 1beg h ASN 25 N 0.75 0.10 -0.42 0.41 -1.24 -1.70 -2.67 115.58 110.82 1beg h ASN 25 Ca 0.20 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 1beg h ASN 25 Cb 0.04 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1beg h ASN 25 CO -0.03 0.09 0.22 1.56 -1.29 0.00 0.00 177.43 177.98 1beg h GLN 26 N 0.25 0.58 0.44 6.67 1.08 -1.41 -2.56 115.11 120.17 1beg h GLN 26 Ca 0.17 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1beg h GLN 26 Cb 0.16 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1beg h GLN 26 CO -0.18 0.48 -0.49 0.00 -0.95 0.00 0.00 178.83 177.69 1beg h SER 28 N -0.95 -0.25 0.54 0.00 0.87 -1.50 -2.01 113.55 110.25 1beg h SER 28 Ca -0.05 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1beg h SER 28 Cb 0.84 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1beg h SER 28 CO -0.09 -0.08 -0.47 0.74 -0.53 0.00 0.00 176.83 176.40 1beg h THR 29 N 0.04 0.08 -0.09 2.23 2.02 -1.36 -3.21 112.91 112.63 1beg h THR 29 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1beg h THR 29 Cb 0.26 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 1beg h THR 29 CO -0.33 0.00 -0.36 0.44 0.37 0.00 0.00 175.52 175.63 1beg h ASP 30 N -0.99 -1.12 0.00 4.18 3.32 -1.38 -3.44 116.42 116.98 1beg h ASP 30 Ca -0.06 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1beg h ASP 30 Cb 0.85 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1beg h ASP 30 CO -0.02 -0.40 0.00 -1.54 -1.72 0.00 0.00 179.24 175.56 1beg n SER 31 N -5.43 0.00 0.00 6.45 3.41 -1.08 -5.12 113.62 111.86 1beg n SER 31 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1beg n SER 31 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1beg n GLY 32 N 0.00 1.74 3.65 5.00 0.00 -0.78 -3.56 105.19 111.24 1beg n GLY 32 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1beg n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1beg s TYR 33 N 1.19 -0.01 -0.66 1.61 5.04 -1.26 -4.83 117.35 118.43 1beg s TYR 33 Ca 0.00 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.69 1beg s TYR 33 Cb 0.00 0.50 0.29 0.00 0.35 0.00 0.00 41.96 43.10 1beg s TYR 33 CO 0.00 -0.01 0.90 0.45 -1.34 0.00 0.00 175.55 175.55 1beg n SER 34 N 0.27 4.31 -0.37 4.32 2.88 -1.26 -4.04 113.62 119.73 1beg n SER 34 Ca 0.03 -3.54 0.28 0.00 -1.33 0.00 0.00 58.87 54.31 1beg n SER 34 Cb 0.58 -0.69 0.55 0.00 -0.75 0.00 0.00 64.21 63.89 1beg n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1beg h MET 35 N 3.86 0.27 -0.72 -1.46 -0.00 -1.95 -0.93 114.93 114.00 1beg h MET 35 Ca 0.19 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.86 1beg h MET 35 Cb 0.59 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 32.10 1beg h MET 35 CO 0.88 0.18 0.38 1.37 -0.00 0.00 0.00 176.91 179.71 1beg h LEU 36 N 0.27 0.90 -3.09 -0.10 -0.00 -1.98 -3.15 115.31 108.16 1beg h LEU 36 Ca 0.71 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 58.45 1beg h LEU 36 Cb 1.91 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 42.29 1beg h LEU 36 CO -0.42 0.73 -0.55 1.07 -0.00 0.00 0.00 178.44 179.28 1beg n THR 37 N -4.35 2.20 -3.72 0.15 5.66 -0.44 -2.66 114.28 111.12 1beg n THR 37 Ca 0.07 -3.31 -0.14 0.00 -3.05 0.00 0.00 64.05 57.62 1beg n THR 37 Cb 0.11 -0.31 -0.15 0.00 -1.55 0.00 0.00 70.33 68.44 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg s ALA 38 N -3.21 -0.29 -0.87 1.79 0.00 -0.71 -5.02 121.76 113.46 1beg s ALA 38 Ca 0.39 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 1beg s ALA 38 Cb 0.37 -0.60 0.35 0.00 0.00 0.00 0.00 23.12 23.24 1beg s ALA 38 CO -0.06 -0.30 1.91 1.63 0.00 0.00 0.00 175.76 178.94 1beg n LYS 39 N 4.57 3.46 0.00 0.00 4.01 -1.26 -4.68 118.16 124.25 1beg n LYS 39 Ca -0.19 -3.88 0.00 0.00 -0.51 0.00 0.00 58.31 53.73 1beg n LYS 39 Cb 0.51 -2.32 0.00 0.00 -0.51 0.00 0.00 35.03 32.71 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1beg n ALA 40 N -0.41 0.00 -0.74 7.82 0.00 -1.26 -5.00 120.51 120.92 1beg n ALA 40 Ca 0.51 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.63 1beg n ALA 40 Cb 0.26 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.86 1beg n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1beg n LEU 41 N 0.00 0.22 -4.78 0.00 4.77 -1.26 -4.98 117.00 110.97 1beg n LEU 41 Ca 0.00 0.27 -0.32 0.00 -0.03 0.00 0.00 56.01 55.93 1beg n LEU 41 Cb 0.00 -1.24 0.05 0.00 -2.33 0.00 0.00 43.42 39.91 1beg n LEU 41 CO 0.00 -3.24 0.72 -2.16 -1.33 0.00 0.00 177.39 171.38 1beg s PRO 42 N -3.87 2.74 0.63 3.23 0.04 -1.26 -5.06 135.00 131.45 1beg s PRO 42 Ca 0.59 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.80 1beg s PRO 42 Cb -0.21 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1beg s PRO 42 CO 0.65 -1.28 0.99 0.95 0.04 0.00 0.00 177.00 178.36 1beg s THR 43 N -2.59 3.98 0.37 1.26 -4.23 -1.26 -4.90 115.64 108.27 1beg s THR 43 Ca 0.64 0.41 0.08 0.00 -1.18 0.00 0.00 61.69 61.64 1beg s THR 43 Cb -0.18 -3.61 0.31 0.00 1.34 0.00 0.00 72.50 70.36 1beg s THR 43 CO 0.46 -0.73 1.94 0.00 -0.54 0.00 0.00 174.62 175.75 1beg h THR 44 N -0.35 0.96 0.25 3.99 1.03 -1.98 -0.98 112.91 115.83 1beg h THR 44 Ca -0.45 -0.23 -0.01 0.00 -0.01 0.00 0.00 66.41 65.70 1beg h THR 44 Cb 1.23 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1beg h THR 44 CO 0.62 0.12 -0.12 0.00 -0.01 0.00 0.00 175.52 176.14 1beg h ALA 45 N 1.62 -0.34 -0.34 0.00 0.00 -2.00 -2.00 119.26 116.20 1beg h ALA 45 Ca 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1beg h ALA 45 Cb 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1beg h ALA 45 CO -0.12 -0.60 0.05 1.96 0.00 0.00 0.00 179.25 180.54 1beg h GLN 46 N -0.52 0.50 -0.66 0.00 1.08 -1.81 -2.59 115.11 111.12 1beg h GLN 46 Ca -0.03 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1beg h GLN 46 Cb 0.39 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1beg h GLN 46 CO 0.06 0.49 0.34 1.88 -0.95 0.00 0.00 178.83 180.65 1beg h TYR 47 N 0.49 0.93 -0.05 2.96 0.05 -0.90 0.15 116.97 120.60 1beg h TYR 47 Ca 0.11 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1beg h TYR 47 Cb 0.24 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1beg h TYR 47 CO 0.01 0.68 0.01 0.87 -1.05 0.00 0.00 178.16 178.68 1beg h LYS 48 N 0.90 0.09 -0.86 4.88 1.57 -0.98 -2.39 116.57 119.78 1beg h LYS 48 Ca 0.23 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1beg h LYS 48 Cb 0.08 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1beg h LYS 48 CO -0.03 0.32 0.56 -0.07 -0.57 0.00 0.00 179.45 179.66 1beg h LEU 49 N -0.16 0.95 -0.49 2.94 3.38 -1.37 -2.68 115.31 117.89 1beg h LEU 49 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1beg h LEU 49 Cb 0.28 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1beg h LEU 49 CO 0.00 0.67 0.26 0.24 0.09 0.00 0.00 178.44 179.70 1beg h MET 50 N 1.12 0.49 -0.04 1.13 2.86 -0.84 -1.66 114.93 117.99 1beg h MET 50 Ca 0.33 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1beg h MET 50 Cb -0.07 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1beg h MET 50 CO -0.09 0.32 0.04 0.00 1.06 0.00 0.00 176.91 178.24 1beg n ALA 52 N -2.35 5.05 -3.99 0.00 0.00 -0.65 -4.94 120.51 113.64 1beg n ALA 52 Ca -0.02 -3.41 -0.29 0.00 0.00 0.00 0.00 53.44 49.72 1beg n ALA 52 Cb 0.13 -0.87 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 1beg n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1beg s SER 53 N -2.66 2.62 0.07 0.00 0.15 -0.86 -5.02 113.70 108.00 1beg s SER 53 Ca 0.52 -0.48 -0.17 0.00 0.70 0.00 0.00 55.95 56.52 1beg s SER 53 Cb 0.43 -1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 1beg s SER 53 CO 0.01 -0.08 1.29 0.74 1.20 0.00 0.00 173.24 176.40 1beg h THR 54 N 6.12 0.00 -0.53 6.45 2.02 -1.93 -1.47 112.91 123.57 1beg h THR 54 Ca -0.35 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.94 1beg h THR 54 Cb 1.13 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 1beg h THR 54 CO 0.49 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 176.27 1beg h ALA 55 N -0.53 0.38 0.02 6.16 0.00 -1.91 -2.21 119.26 121.17 1beg h ALA 55 Ca 0.05 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1beg h ALA 55 Cb 0.29 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1beg h ALA 55 CO -0.36 -0.43 -0.16 0.00 0.00 0.00 0.00 179.25 178.30 1beg h ASN 57 N -0.27 0.83 0.25 0.00 4.21 -0.82 -2.20 115.58 117.58 1beg h ASN 57 Ca 0.05 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 1beg h ASN 57 Cb 0.33 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1beg h ASN 57 CO -0.14 0.47 -0.12 0.74 -1.29 0.00 0.00 177.43 177.09 1beg h THR 58 N 0.93 0.76 0.23 2.81 2.02 -1.05 -1.04 112.91 117.57 1beg h THR 58 Ca 0.45 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1beg h THR 58 Cb 0.40 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1beg h THR 58 CO -0.25 0.00 -0.53 0.24 0.37 0.00 0.00 175.52 175.36 1beg h MET 59 N -0.35 -0.80 0.65 6.66 2.86 -1.01 -1.35 114.93 121.59 1beg h MET 59 Ca -0.03 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1beg h MET 59 Cb 0.26 0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1beg h MET 59 CO 0.06 -0.53 -0.31 0.82 1.06 0.00 0.00 176.91 178.00 1beg h ILE 60 N -0.83 0.26 -0.79 -1.22 2.04 -1.48 -2.02 117.51 113.46 1beg h ILE 60 Ca -0.02 -0.23 0.19 0.00 1.00 0.00 0.00 64.86 65.80 1beg h ILE 60 Cb 0.79 0.33 -0.12 0.00 -0.74 0.00 0.00 36.82 37.08 1beg h ILE 60 CO -0.23 0.02 0.21 0.50 0.00 0.00 0.00 178.15 178.66 1beg h LYS 61 N -1.04 0.26 -0.07 2.37 1.63 -1.24 0.41 116.57 118.89 1beg h LYS 61 Ca -0.09 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1beg h LYS 61 Cb 0.71 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1beg h LYS 61 CO 0.15 0.17 0.03 -0.22 -3.45 0.00 0.00 179.45 176.13 1beg h LYS 62 N 0.27 0.07 -0.58 1.90 3.64 -1.18 -0.72 116.57 119.97 1beg h LYS 62 Ca 0.47 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.86 1beg h LYS 62 Cb 0.85 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1beg h LYS 62 CO -0.56 0.04 0.38 0.82 -2.27 0.00 0.00 179.45 177.87 1beg h ILE 63 N 0.07 1.12 -0.08 2.00 1.08 -0.22 -2.32 117.51 119.17 1beg h ILE 63 Ca 0.03 -0.26 -0.12 0.00 -0.39 0.00 0.00 64.86 64.12 1beg h ILE 63 Cb 0.01 0.31 0.01 0.00 -3.07 0.00 0.00 36.82 34.08 1beg h ILE 63 CO -0.03 0.14 -0.43 0.58 -0.69 0.00 0.00 178.15 177.72 1beg h VAL 64 N 0.74 1.40 -0.68 1.67 2.07 -0.66 -3.11 116.25 117.68 1beg h VAL 64 Ca 0.22 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.99 1beg h VAL 64 Cb -0.03 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1beg h VAL 64 CO -0.05 0.53 0.45 0.71 0.02 0.00 0.00 177.57 179.23 1beg h THR 65 N -0.02 1.05 -0.41 2.57 1.35 -0.87 -2.10 112.91 114.48 1beg h THR 65 Ca -0.03 -0.26 -0.12 0.00 -0.55 0.00 0.00 66.41 65.45 1beg h THR 65 Cb 1.08 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1beg h THR 65 CO 0.09 0.14 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.22 1beg h LEU 66 N 0.76 0.83 -2.70 3.87 -0.00 -1.43 -3.49 115.31 113.14 1beg h LEU 66 Ca 0.28 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1beg h LEU 66 Cb 0.17 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1beg h LEU 66 CO -0.09 1.01 -0.07 -3.20 -0.00 0.00 0.00 178.44 176.09 1beg n ASN 67 N -4.12 -4.70 -4.83 -0.43 2.85 -0.79 -5.06 115.26 98.19 1beg n ASN 67 Ca 0.00 0.06 -0.30 0.00 -0.11 0.00 0.00 54.58 54.23 1beg n ASN 67 Cb 0.43 -3.00 0.06 0.00 1.24 0.00 0.00 39.78 38.51 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1beg s PRO 68 N -2.59 2.68 0.46 1.20 0.04 -1.26 -5.08 135.00 130.45 1beg s PRO 68 Ca 0.04 0.72 -0.06 0.00 0.04 0.00 0.00 61.00 61.73 1beg s PRO 68 Cb -0.01 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1beg s PRO 68 CO 0.35 -1.22 0.78 -1.25 0.04 0.00 0.00 177.00 175.70 1beg s PRO 69 N -5.16 3.60 -0.29 0.56 0.04 -1.26 -4.86 135.00 127.62 1beg s PRO 69 Ca 0.59 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 1beg s PRO 69 Cb -0.13 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1beg s PRO 69 CO 0.54 -0.16 0.92 1.21 0.04 0.00 0.00 177.00 179.56 1beg s ASN 70 N -3.86 6.83 0.00 6.66 2.47 -1.26 -4.23 114.94 121.55 1beg s ASN 70 Ca 0.48 0.92 0.00 0.00 0.42 0.00 0.00 52.86 54.69 1beg s ASN 70 Cb -0.10 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1beg s ASN 70 CO 0.41 -0.70 0.00 0.00 -3.72 0.00 0.00 177.10 173.09 1beg s ASP 72 N 0.00 7.10 0.04 0.00 1.01 0.57 -4.36 116.67 121.03 1beg s ASP 72 Ca 0.00 1.32 0.05 0.00 0.71 0.00 0.00 52.55 54.63 1beg s ASP 72 Cb 0.00 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 1beg s ASP 72 CO 0.00 -0.12 -0.14 -1.48 0.21 0.00 0.00 175.17 173.64 1beg s LEU 73 N 0.69 2.18 0.14 1.23 -0.00 -1.03 -1.29 118.68 120.60 1beg s LEU 73 Ca 0.40 -0.47 -0.16 0.00 -0.00 0.00 0.00 54.13 53.91 1beg s LEU 73 Cb -0.19 -0.58 -0.07 0.00 -0.00 0.00 0.00 46.19 45.35 1beg s LEU 73 CO 0.21 0.02 0.58 -0.89 -0.00 0.00 0.00 176.35 176.26 1beg s THR 74 N -0.89 4.79 -0.04 5.48 2.01 -1.26 -1.42 115.64 124.31 1beg s THR 74 Ca 0.01 0.97 -0.24 0.00 0.31 0.00 0.00 61.69 62.74 1beg s THR 74 Cb -0.08 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1beg s THR 74 CO 0.01 0.31 0.72 -0.69 -0.69 0.00 0.00 174.62 174.28 1beg s VAL 75 N -1.40 4.97 0.27 3.82 1.01 -0.38 -4.97 120.40 123.72 1beg s VAL 75 Ca 0.36 1.51 0.09 0.00 0.00 0.00 0.00 61.98 63.94 1beg s VAL 75 Cb -0.16 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1beg s VAL 75 CO 0.19 0.28 1.61 1.55 0.00 0.00 0.00 175.10 178.73 1beg h PRO 76 N 6.49 0.07 0.04 2.72 0.13 -1.94 -2.71 132.00 136.80 1beg h PRO 76 Ca -0.42 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 1beg h PRO 76 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1beg h PRO 76 CO 0.74 0.64 -1.19 0.00 -0.23 0.00 0.00 178.00 177.96 1beg h THR 77 N 0.05 1.04 0.04 1.56 1.03 -1.94 -3.41 112.91 111.28 1beg h THR 77 Ca -0.01 -2.27 -0.00 0.00 -0.01 0.00 0.00 66.41 64.12 1beg h THR 77 Cb 1.06 2.54 0.00 0.00 -1.07 0.00 0.00 68.15 70.68 1beg h THR 77 CO 0.08 0.51 -0.02 0.77 -0.01 0.00 0.00 175.52 176.85 1beg h SER 78 N -0.72 -0.04 0.00 0.00 4.64 -1.66 -3.47 113.55 112.29 1beg h SER 78 Ca -0.30 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1beg h SER 78 Cb 1.45 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1beg h SER 78 CO -0.09 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1beg n GLY 79 N 1.23 2.17 3.88 -0.77 0.00 -1.02 -4.78 105.19 105.90 1beg n GLY 79 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1beg n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1beg s LEU 80 N 0.00 3.26 -0.06 0.99 2.96 -1.26 -4.66 118.68 119.91 1beg s LEU 80 Ca 0.00 1.27 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 1beg s LEU 80 Cb 0.00 -4.26 -0.05 0.00 0.50 0.00 0.00 46.19 42.38 1beg s LEU 80 CO 0.00 -0.89 0.25 -0.69 -1.32 0.00 0.00 176.35 173.70 1beg s VAL 81 N -3.12 5.31 -0.02 1.68 1.01 -1.26 -1.25 120.40 122.75 1beg s VAL 81 Ca 0.54 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 1beg s VAL 81 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1beg s VAL 81 CO 0.52 0.57 0.08 -0.22 0.00 0.00 0.00 175.10 176.05 1beg s LEU 82 N -1.14 1.73 -0.44 3.92 2.96 -0.51 -4.98 118.68 120.21 1beg s LEU 82 Ca 0.20 -0.00 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 1beg s LEU 82 Cb -0.14 0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.94 1beg s LEU 82 CO 0.09 -0.14 0.39 0.21 -1.32 0.00 0.00 176.35 175.58 1beg s ASN 83 N -0.48 6.15 0.16 3.68 3.84 -1.26 -2.48 114.94 124.56 1beg s ASN 83 Ca -0.05 -0.96 -0.09 0.00 0.21 0.00 0.00 52.86 51.97 1beg s ASN 83 Cb -0.04 -2.20 -0.00 0.00 -0.55 0.00 0.00 41.25 38.47 1beg s ASN 83 CO 0.00 -0.58 1.49 0.58 -2.79 0.00 0.00 177.10 175.80 1beg h VAL 84 N 5.71 1.28 0.85 -5.21 2.07 -1.91 -0.54 116.25 118.50 1beg h VAL 84 Ca -0.27 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 1beg h VAL 84 Cb 1.11 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1beg h VAL 84 CO 0.81 0.52 -0.41 0.22 0.02 0.00 0.00 177.57 178.74 1beg h TYR 85 N 0.72 -1.05 0.00 1.57 3.20 -1.85 -2.92 116.97 116.63 1beg h TYR 85 Ca 0.06 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1beg h TYR 85 Cb 0.98 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 1beg h TYR 85 CO 0.06 -0.65 -0.08 0.77 -1.64 0.00 0.00 178.16 176.62 1beg h SER 86 N -1.30 0.00 0.64 -2.11 0.02 -1.91 -2.04 113.55 106.85 1beg h SER 86 Ca -0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1beg h SER 86 Cb 0.87 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.42 1beg h SER 86 CO 0.19 0.08 -0.31 0.22 -1.14 0.00 0.00 176.83 175.87 1beg h TYR 87 N 0.00 -0.80 -0.30 3.45 3.20 -0.95 0.67 116.97 122.23 1beg h TYR 87 Ca -0.00 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1beg h TYR 87 Cb 0.18 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1beg h TYR 87 CO 0.00 -0.50 -0.13 0.00 -1.64 0.00 0.00 178.16 175.89 1beg h ALA 88 N -1.60 0.43 0.02 1.82 0.00 -1.51 -2.02 119.26 116.40 1beg h ALA 88 Ca -0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1beg h ALA 88 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1beg h ALA 88 CO 0.14 0.31 -0.01 -0.91 0.00 0.00 0.00 179.25 178.78 1beg h ASN 89 N 0.38 -0.02 -0.63 0.00 2.35 -1.46 -3.25 115.58 112.95 1beg h ASN 89 Ca 0.07 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 1beg h ASN 89 Cb 0.65 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 1beg h ASN 89 CO 0.04 0.36 0.36 1.23 -1.65 0.00 0.00 177.43 177.78 1beg h GLY 90 N -0.41 0.92 -0.54 2.83 0.00 -0.93 -3.10 103.07 101.84 1beg h GLY 90 Ca -0.00 -0.26 0.26 0.00 0.00 0.00 0.00 47.33 47.33 1beg h GLY 90 CO 0.00 0.18 0.30 -2.75 0.00 0.00 0.00 176.54 174.27 1beg h PHE 91 N 0.68 0.46 0.44 5.60 3.04 -1.39 -1.71 116.94 124.05 1beg h PHE 91 Ca 0.27 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.25 1beg h PHE 91 Cb 0.13 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1beg h PHE 91 CO -0.07 -0.24 -0.21 0.66 -2.02 0.00 0.00 178.31 176.43 1beg h SER 92 N 0.20 -0.50 -0.59 0.41 4.64 -1.66 -0.98 113.55 115.07 1beg h SER 92 Ca 0.61 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 62.03 1beg h SER 92 Cb 1.29 0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 63.44 1beg h SER 92 CO -0.67 -0.29 0.21 -0.55 -0.87 0.00 0.00 176.83 174.66 1beg h ASN 93 N -0.72 0.21 -0.78 4.97 7.08 -1.66 -1.00 115.58 123.68 1beg h ASN 93 Ca -0.06 0.08 -0.04 0.00 -3.08 0.00 0.00 56.30 53.19 1beg h ASN 93 Cb 0.45 0.06 -0.03 0.00 -2.08 0.00 0.00 38.32 36.71 1beg h ASN 93 CO 0.10 0.13 0.32 0.07 -2.08 0.00 0.00 177.43 175.97 1beg h LYS 94 N 0.39 1.16 -0.34 4.14 5.09 -1.39 -2.15 116.57 123.47 1beg h LYS 94 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.82 1beg h LYS 94 Cb 0.36 -0.19 -0.02 0.00 0.10 0.00 0.00 32.23 32.48 1beg h LYS 94 CO -0.30 0.93 0.15 0.00 -2.09 0.00 0.00 179.45 178.15 1beg h SER 96 N 0.47 0.73 0.02 0.00 0.87 -0.67 -2.92 113.55 112.05 1beg h SER 96 Ca 0.12 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1beg h SER 96 Cb 0.07 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1beg h SER 96 CO -0.02 0.85 -0.02 -0.24 -0.53 0.00 0.00 176.83 176.87 1beg n SER 97 N -4.42 1.32 -0.11 6.23 2.88 -0.81 -5.12 113.62 113.59 1beg n SER 97 Ca -0.00 -1.39 0.01 0.00 -1.33 0.00 0.00 58.87 56.16 1beg n SER 97 Cb 0.28 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 63.76 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70