#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ n SER 2 N 0.00 0.00 -3.58 0.00 2.88 -1.26 -5.20 113.62 106.46 2occ n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2occ n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2occ n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2occ s ALA 3 N -1.74 -1.98 0.00 -1.46 0.00 -1.26 -5.15 121.76 110.18 2occ s ALA 3 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2occ s ALA 3 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2occ s ALA 3 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 175.76 175.29 2occ n ALA 4 N 0.22 0.00 -3.02 0.00 0.00 -1.26 -5.09 120.51 111.37 2occ n ALA 4 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 2occ n ALA 4 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 2occ n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2occ n LYS 5 N 0.00 4.03 0.00 0.00 2.85 -1.26 -5.02 118.16 118.75 2occ n LYS 5 Ca 0.00 -4.66 0.00 0.00 -1.05 0.00 0.00 58.31 52.60 2occ n LYS 5 Cb 0.00 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 31.98 2occ n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2occ n GLY 6 N 0.64 3.36 3.43 2.58 0.00 -1.26 -4.74 105.19 109.20 2occ n GLY 6 Ca 0.32 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 2occ n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2occ s ASP 7 N -4.00 2.18 0.00 1.61 2.15 -1.26 -4.99 116.67 112.37 2occ s ASP 7 Ca 0.00 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.50 2occ s ASP 7 Cb 0.00 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 2occ s ASP 7 CO 0.00 -0.75 0.00 1.41 -0.17 0.00 0.00 175.17 175.66 2occ n HIS 8 N -0.70 0.00 -2.80 -5.34 8.25 -1.26 -5.04 115.22 108.33 2occ n HIS 8 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2occ n HIS 8 Cb 0.66 -1.39 0.06 0.00 1.12 0.00 0.00 29.99 30.44 2occ n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2occ n GLY 9 N -0.39 1.81 3.65 -1.41 0.00 -1.26 -4.97 105.19 102.62 2occ n GLY 9 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2occ n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2occ s GLY 10 N -3.32 0.39 0.11 -0.02 0.00 -1.26 -5.14 107.32 98.08 2occ s GLY 10 Ca 0.24 3.58 0.00 0.00 0.00 0.00 0.00 44.72 48.54 2occ s GLY 10 CO -0.05 1.98 0.00 -1.30 0.00 0.00 0.00 173.10 173.73 2occ n THR 11 N 1.62-12.27 0.00 0.90 -2.24 -1.26 -5.02 114.28 96.02 2occ n THR 11 Ca -0.10 3.01 0.00 0.00 -2.27 0.00 0.00 64.05 64.69 2occ n THR 11 Cb 0.57 -5.35 0.00 0.00 -2.10 0.00 0.00 70.33 63.45 2occ n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2occ n GLY 12 N 1.91 3.73 0.29 3.38 0.00 -1.26 -4.71 105.19 108.52 2occ n GLY 12 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.08 2occ n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2occ h ALA 13 N 0.00 2.02 -0.29 4.61 0.00 -1.99 -0.73 119.26 122.88 2occ h ALA 13 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2occ h ALA 13 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2occ h ALA 13 CO 0.00 -0.13 -0.39 -0.09 0.00 0.00 0.00 179.25 178.64 2occ h ARG 14 N 0.00 0.67 -0.55 0.00 2.43 -1.99 -1.32 114.38 113.63 2occ h ARG 14 Ca 0.05 -0.34 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 2occ h ARG 14 Cb 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2occ h ARG 14 CO -0.00 0.95 -0.09 1.15 -1.51 0.00 0.00 179.97 180.46 2occ h THR 15 N 0.56 1.27 0.00 0.20 2.02 -1.44 -1.17 112.91 114.35 2occ h THR 15 Ca 0.05 -1.25 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 2occ h THR 15 Cb 0.91 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2occ h THR 15 CO 0.08 0.44 -0.28 -0.50 0.37 0.00 0.00 175.52 175.64 2occ h TRP 16 N 0.90 0.00 0.01 3.16 4.06 -1.30 0.10 115.95 122.88 2occ h TRP 16 Ca 0.14 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.87 2occ h TRP 16 Cb 0.66 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.82 2occ h TRP 16 CO 0.05 0.28 -0.96 -0.09 -3.56 0.00 0.00 178.44 174.15 2occ h ARG 17 N 0.00 0.35 -0.22 0.49 2.43 -1.04 -1.20 114.38 115.20 2occ h ARG 17 Ca -0.00 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 2occ h ARG 17 Cb 0.91 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2occ h ARG 17 CO 0.04 1.09 0.07 0.35 -1.51 0.00 0.00 179.97 180.00 2occ h PHE 18 N 0.19 0.35 -0.23 2.20 3.57 -0.66 -1.64 116.94 120.72 2occ h PHE 18 Ca -0.08 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 2occ h PHE 18 Cb 1.60 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 2occ h PHE 18 CO 0.05 0.42 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.15 2occ h LEU 19 N 0.18 0.50 -0.05 0.59 3.38 -0.99 0.19 115.31 119.10 2occ h LEU 19 Ca 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2occ h LEU 19 Cb 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2occ h LEU 19 CO -0.00 0.80 0.03 0.74 0.09 0.00 0.00 178.44 180.09 2occ h THR 20 N 0.41 1.04 0.00 0.22 2.02 -0.85 -0.57 112.91 115.18 2occ h THR 20 Ca 0.05 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2occ h THR 20 Cb 0.78 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2occ h THR 20 CO 0.06 0.03 -0.93 -0.26 0.37 0.00 0.00 175.52 174.79 2occ h PHE 21 N 0.03 0.00 0.00 3.16 0.04 -1.31 0.47 116.94 119.33 2occ h PHE 21 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2occ h PHE 21 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2occ h PHE 21 CO -0.07 0.06 -1.33 0.41 -0.60 0.00 0.00 178.31 176.79 2occ n GLY 22 N 1.19 -1.01 1.63 -1.45 0.00 0.65 -4.46 105.19 101.73 2occ n GLY 22 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2occ n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2occ n LEU 23 N -1.77 0.20 0.14 0.99 7.94 -0.49 -4.81 117.00 119.19 2occ n LEU 23 Ca 0.01 0.24 -0.14 0.00 -1.11 0.00 0.00 56.01 55.01 2occ n LEU 23 Cb 0.41 0.09 -0.08 0.00 0.53 0.00 0.00 43.42 44.37 2occ n LEU 23 CO 0.44 -0.68 0.51 0.00 -1.11 0.00 0.00 177.39 176.55 2occ h ALA 24 N 0.00 -0.97 -0.79 1.96 0.00 -1.18 -2.31 119.26 115.96 2occ h ALA 24 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2occ h ALA 24 Cb 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2occ h ALA 24 CO 0.00 -1.05 0.44 -0.07 0.00 0.00 0.00 179.25 178.57 2occ h LEU 25 N -0.68 0.99 -1.78 0.00 3.38 -1.13 -2.51 115.31 113.59 2occ h LEU 25 Ca -0.02 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2occ h LEU 25 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2occ h LEU 25 CO -0.17 0.80 0.17 -0.65 0.09 0.00 0.00 178.44 178.68 2occ h PRO 26 N 1.10 0.30 -0.28 1.13 0.11 -1.73 -1.34 132.00 131.29 2occ h PRO 26 Ca 0.28 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 2occ h PRO 26 Cb 0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2occ h PRO 26 CO -0.05 0.20 -0.01 0.77 -0.21 0.00 0.00 178.00 178.70 2occ h SER 27 N 0.31 0.49 -0.65 -2.05 0.02 -1.06 -0.80 113.55 109.81 2occ h SER 27 Ca 0.10 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2occ h SER 27 Cb 0.02 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 2occ h SER 27 CO -0.02 0.70 0.43 0.58 -1.14 0.00 0.00 176.83 177.37 2occ h VAL 28 N 0.28 1.05 -0.17 2.27 2.07 -0.91 -0.92 116.25 119.93 2occ h VAL 28 Ca 0.08 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2occ h VAL 28 Cb 0.45 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2occ h VAL 28 CO 0.02 0.13 -0.20 0.00 0.02 0.00 0.00 177.57 177.54 2occ h ALA 29 N 1.63 0.25 -0.38 1.67 0.00 -0.69 -1.55 119.26 120.20 2occ h ALA 29 Ca 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2occ h ALA 29 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2occ h ALA 29 CO -0.08 0.18 0.23 -0.07 0.00 0.00 0.00 179.25 179.51 2occ h LEU 30 N 0.07 0.45 -1.56 0.00 3.38 -0.78 0.67 115.31 117.54 2occ h LEU 30 Ca 0.02 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2occ h LEU 30 Cb 0.75 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2occ h LEU 30 CO 0.05 0.37 -0.23 0.00 0.09 0.00 0.00 178.44 178.72 2occ h THR 32 N 0.00 1.36 0.22 0.00 2.02 -0.39 -0.78 112.91 115.34 2occ h THR 32 Ca -0.00 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.27 2occ h THR 32 Cb 0.43 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2occ h THR 32 CO 0.03 0.57 -0.11 0.25 0.37 0.00 0.00 175.52 176.63 2occ h LEU 33 N 0.24 -0.25 -0.34 2.58 5.85 0.33 -2.97 115.31 120.76 2occ h LEU 33 Ca -0.00 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.56 2occ h LEU 33 Cb 1.08 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 2occ h LEU 33 CO 0.09 0.12 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.07 2occ h ASN 34 N -0.66 -0.40 0.11 1.25 -1.24 -0.79 0.75 115.58 114.59 2occ h ASN 34 Ca -0.03 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2occ h ASN 34 Cb 0.47 0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2occ h ASN 34 CO 0.05 -0.15 0.00 -0.24 -1.29 0.00 0.00 177.43 175.80 2occ n SER 35 N -5.30 0.00 -0.06 1.15 2.88 -0.31 -1.43 113.62 110.55 2occ n SER 35 Ca 0.01 0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.73 2occ n SER 35 Cb 0.22 -0.36 -0.14 0.00 -0.75 0.00 0.00 64.21 63.17 2occ n SER 35 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2occ n TRP 36 N -1.36 0.55 -1.97 0.66 -0.00 0.22 -3.19 117.44 112.34 2occ n TRP 36 Ca 0.02 0.16 -0.38 0.00 -0.00 0.00 0.00 57.50 57.30 2occ n TRP 36 Cb 0.04 -1.09 0.02 0.00 -0.00 0.00 0.00 31.31 30.28 2occ n TRP 36 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2occ n LEU 37 N -3.10 7.34 0.11 5.87 7.99 -0.51 -4.23 117.00 130.46 2occ n LEU 37 Ca -0.31 -4.79 0.00 0.00 -0.01 0.00 0.00 56.01 50.90 2occ n LEU 37 Cb 1.07 -1.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.25 2occ n LEU 37 CO 0.40 1.82 0.00 1.41 -1.51 0.00 0.00 177.39 179.51 2occ n HIS 38 N -0.09 -3.27 -1.29 -1.77 8.25 -1.23 -4.98 115.22 110.83 2occ n HIS 38 Ca 0.52 0.73 -0.38 0.00 -0.26 0.00 0.00 57.72 58.34 2occ n HIS 38 Cb 0.29 2.05 -0.03 0.00 1.12 0.00 0.00 29.99 33.43 2occ n HIS 38 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2occ n SER 39 N -3.01 4.66 -0.08 0.41 7.64 -1.19 -4.38 113.62 117.67 2occ n SER 39 Ca 0.00 -2.64 -0.19 0.00 1.01 0.00 0.00 58.87 57.05 2occ n SER 39 Cb 0.00 -1.38 -0.12 0.00 -1.01 0.00 0.00 64.21 61.70 2occ n SER 39 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2occ h GLY 40 N 10.15 0.03 0.00 0.23 0.00 -1.87 -3.46 103.07 108.17 2occ h GLY 40 Ca 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2occ h GLY 40 CO 1.81 0.08 0.00 1.57 0.00 0.00 0.00 176.54 179.99 2occ n HIS 41 N -4.44 0.00 -5.09 5.60 -0.00 -1.26 -5.17 115.22 104.85 2occ n HIS 41 Ca -0.22 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.64 2occ n HIS 41 Cb 0.63 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.34 2occ n HIS 41 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2occ s ARG 42 N -2.00 2.93 -0.00 1.57 1.70 -1.26 -5.11 118.95 116.78 2occ s ARG 42 Ca 0.00 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 2occ s ARG 42 Cb 0.00 -2.35 -0.03 0.00 -0.57 0.00 0.00 34.95 32.00 2occ s ARG 42 CO 0.00 0.29 1.05 -2.00 -1.08 0.00 0.00 175.30 173.56 2occ s GLU 43 N 0.08 4.50 0.27 3.89 2.56 -1.26 -4.98 118.70 123.75 2occ s GLU 43 Ca -0.09 1.51 -0.29 0.00 0.00 0.00 0.00 54.97 56.10 2occ s GLU 43 Cb -0.15 -3.45 -0.14 0.00 2.00 0.00 0.00 34.13 32.38 2occ s GLU 43 CO 0.06 -0.16 1.16 2.89 -0.56 0.00 0.00 175.26 178.64 2occ n ARG 44 N 4.16 1.58 -1.81 4.30 1.85 -1.26 -4.96 116.66 120.51 2occ n ARG 44 Ca 0.07 0.56 -0.37 0.00 -1.00 0.00 0.00 57.85 57.11 2occ n ARG 44 Cb 0.49 -2.04 0.06 0.00 -1.05 0.00 0.00 32.46 29.92 2occ n ARG 44 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2occ s PRO 45 N -1.18 2.66 0.29 2.89 0.02 -1.26 -4.96 135.00 133.47 2occ s PRO 45 Ca 0.63 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 63.36 2occ s PRO 45 Cb -0.70 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 31.86 2occ s PRO 45 CO 0.57 -1.50 1.21 0.00 -0.33 0.00 0.00 177.00 176.95 2occ s ALA 46 N -1.44 3.45 -0.32 -1.55 0.00 -1.26 -4.96 121.76 115.69 2occ s ALA 46 Ca 0.81 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 53.56 2occ s ALA 46 Cb -0.36 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2occ s ALA 46 CO 0.38 -0.40 1.03 0.12 0.00 0.00 0.00 175.76 176.89 2occ s PHE 47 N -1.01 3.16 -0.11 0.00 5.36 -1.26 -5.00 117.98 119.12 2occ s PHE 47 Ca 0.48 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.59 2occ s PHE 47 Cb -0.36 -3.61 0.01 0.00 -0.34 0.00 0.00 43.02 38.73 2occ s PHE 47 CO 0.46 -0.73 -0.15 0.42 -1.46 0.00 0.00 175.22 173.75 2occ s ILE 48 N 3.54 1.50 -0.46 3.12 1.01 -1.26 -5.04 121.20 123.61 2occ s ILE 48 Ca 0.43 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2occ s ILE 48 Cb -0.12 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 2occ s ILE 48 CO 0.15 0.44 1.90 -2.65 0.00 0.00 0.00 174.94 174.78 2occ n PRO 49 N 4.23 1.39 -1.82 2.79 -0.02 -1.26 -4.92 135.00 135.39 2occ n PRO 49 Ca -0.19 -0.96 -0.41 0.00 -2.02 0.00 0.00 63.50 59.92 2occ n PRO 49 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2occ n PRO 49 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2occ s TYR 50 N 3.10 2.56 -0.52 6.00 2.02 -1.26 -4.91 117.35 124.35 2occ s TYR 50 Ca 0.31 1.22 0.24 0.00 -0.37 0.00 0.00 57.07 58.47 2occ s TYR 50 Cb 0.11 -3.97 0.46 0.00 -0.40 0.00 0.00 41.96 38.16 2occ s TYR 50 CO -0.02 -2.91 1.63 0.45 -1.57 0.00 0.00 175.55 173.13 2occ h HIS 51 N 2.77 0.00 -0.26 2.71 3.86 -2.00 -3.22 115.15 119.02 2occ h HIS 51 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 2occ h HIS 51 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2occ h HIS 51 CO 0.52 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.92 2occ n HIS 52 N -2.84 0.34 -4.50 2.45 1.44 -1.26 -4.84 115.22 106.00 2occ n HIS 52 Ca 0.04 -0.17 -0.24 0.00 -2.01 0.00 0.00 57.72 55.35 2occ n HIS 52 Cb 0.50 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.51 2occ n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2occ s LEU 53 N -1.19 2.20 -1.54 2.39 1.43 -1.22 -4.81 118.68 115.93 2occ s LEU 53 Ca 0.25 -1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 51.86 2occ s LEU 53 Cb 0.13 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.98 2occ s LEU 53 CO 0.18 -0.69 0.15 0.54 0.23 0.00 0.00 176.35 176.77 2occ n ARG 54 N -0.80 -1.53 -2.02 1.70 3.00 -1.26 -4.85 116.66 110.90 2occ n ARG 54 Ca -0.05 0.17 -0.40 0.00 -0.01 0.00 0.00 57.85 57.57 2occ n ARG 54 Cb 0.66 -3.91 -0.00 0.00 0.00 0.00 0.00 32.46 29.21 2occ n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2occ s ILE 55 N -4.19 2.54 -0.44 0.55 -1.09 -1.26 -4.76 121.20 112.54 2occ s ILE 55 Ca 0.07 0.50 0.06 0.00 -2.23 0.00 0.00 60.65 59.05 2occ s ILE 55 Cb -0.04 -3.30 0.21 0.00 -1.58 0.00 0.00 42.46 37.75 2occ s ILE 55 CO 0.97 0.08 0.57 0.54 -1.23 0.00 0.00 174.94 175.88 2occ n ARG 56 N 0.22 0.49 0.11 2.79 3.00 -1.26 -4.95 116.66 117.06 2occ n ARG 56 Ca 0.03 -2.67 0.12 0.00 -0.01 0.00 0.00 57.85 55.32 2occ n ARG 56 Cb 0.43 -1.48 0.07 0.00 0.00 0.00 0.00 32.46 31.48 2occ n ARG 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2occ h THR 57 N 3.82 0.00 -2.13 0.55 1.35 -2.01 -3.45 112.91 111.04 2occ h THR 57 Ca 0.10 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 2occ h THR 57 Cb 0.97 1.49 -0.22 0.00 -1.73 0.00 0.00 68.15 68.66 2occ h THR 57 CO 0.30 0.00 0.00 -0.75 -0.25 0.00 0.00 175.52 174.82 2occ s LYS 58 N -3.29 0.70 0.37 4.72 2.20 -1.26 -5.14 119.74 118.04 2occ s LYS 58 Ca 0.02 1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 2occ s LYS 58 Cb 0.10 0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 36.54 2occ s LYS 58 CO 0.75 -0.13 1.36 -1.25 -0.36 0.00 0.00 175.35 175.73 2occ s PRO 59 N 1.06 4.15 0.40 4.03 0.04 -1.26 -4.95 135.00 138.46 2occ s PRO 59 Ca -0.06 2.30 -0.27 0.00 0.04 0.00 0.00 61.00 63.02 2occ s PRO 59 Cb -0.05 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.45 2occ s PRO 59 CO -0.10 -0.40 1.48 1.19 0.04 0.00 0.00 177.00 179.20 2occ n PHE 60 N 0.47 2.92 0.71 0.56 3.72 -0.82 -4.86 117.46 120.16 2occ n PHE 60 Ca 0.02 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 2occ n PHE 60 Cb 0.42 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 2occ n PHE 60 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2occ n SER 61 N 0.25 1.97 -3.67 4.37 3.41 -1.26 -3.92 113.62 114.77 2occ n SER 61 Ca 0.02 -1.43 -0.14 0.00 -0.26 0.00 0.00 58.87 57.06 2occ n SER 61 Cb 0.40 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.92 2occ n SER 61 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2occ s TRP 62 N 0.13 -0.33 0.00 7.33 -2.14 -1.26 -5.04 118.94 117.63 2occ s TRP 62 Ca 0.00 0.47 0.00 0.00 2.66 0.00 0.00 56.10 59.23 2occ s TRP 62 Cb 0.00 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 2occ s TRP 62 CO 0.00 -0.51 0.00 0.41 -2.66 0.00 0.00 176.95 174.19 2occ n GLY 63 N 0.93 3.00 0.71 3.67 0.00 -1.26 -1.59 105.19 110.65 2occ n GLY 63 Ca -0.20 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.64 2occ n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2occ n ASP 64 N 4.04 2.08 -0.43 1.61 5.75 -1.26 -4.93 116.55 123.40 2occ n ASP 64 Ca 0.00 -1.90 -0.06 0.00 -0.01 0.00 0.00 54.79 52.82 2occ n ASP 64 Cb 0.00 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 2occ n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2occ n GLY 65 N 1.16 0.70 0.00 6.12 0.00 -0.62 -4.79 105.19 107.76 2occ n GLY 65 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2occ n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2occ n ASN 66 N -0.42 0.63 -4.31 1.61 5.15 -1.26 -1.95 115.26 114.71 2occ n ASN 66 Ca -0.06 -1.05 -0.33 0.00 -0.60 0.00 0.00 54.58 52.54 2occ n ASN 66 Cb 0.37 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.47 2occ n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2occ s HIS 67 N -0.05 2.82 0.83 1.20 3.76 -1.26 -4.88 115.29 117.71 2occ s HIS 67 Ca 0.00 -0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 53.90 2occ s HIS 67 Cb 0.00 -1.91 0.09 0.00 1.11 0.00 0.00 32.58 31.88 2occ s HIS 67 CO 0.00 -0.40 1.13 0.95 -0.85 0.00 0.00 174.74 175.57 2occ s THR 68 N 0.76 2.65 0.23 1.30 -4.23 -1.26 -4.92 115.64 110.16 2occ s THR 68 Ca -0.05 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.60 2occ s THR 68 Cb -0.15 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.39 2occ s THR 68 CO 0.01 -0.26 1.67 0.15 -0.54 0.00 0.00 174.62 175.65 2occ h PHE 69 N -1.32 0.09 -1.80 3.99 3.57 -1.99 -2.36 116.94 117.13 2occ h PHE 69 Ca -0.44 0.04 -0.69 0.00 3.53 0.00 0.00 57.97 60.41 2occ h PHE 69 Cb 1.26 0.06 -0.33 0.00 2.79 0.00 0.00 35.95 39.73 2occ h PHE 69 CO 0.53 -0.13 0.30 1.19 -2.23 0.00 0.00 178.31 177.97 2occ n PHE 70 N -5.23 3.17 -1.80 0.41 3.01 -1.26 -5.03 117.46 110.73 2occ n PHE 70 Ca 0.11 -2.66 -0.42 0.00 1.01 0.00 0.00 57.45 55.49 2occ n PHE 70 Cb 0.40 -0.72 -0.03 0.00 -0.01 0.00 0.00 39.48 39.13 2occ n PHE 70 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2occ s HIS 71 N -3.85 1.88 -0.37 1.38 2.46 -0.89 -4.98 115.29 110.93 2occ s HIS 71 Ca 0.50 -0.06 -0.03 0.00 0.47 0.00 0.00 55.06 55.95 2occ s HIS 71 Cb 0.42 -4.11 0.08 0.00 -0.13 0.00 0.00 32.58 28.85 2occ s HIS 71 CO -0.32 -4.72 0.12 1.21 -2.47 0.00 0.00 174.74 168.57 2occ s ASN 72 N 3.34 5.13 0.47 9.88 3.84 -1.26 -4.99 114.94 131.35 2occ s ASN 72 Ca 0.81 -1.70 0.27 0.00 0.21 0.00 0.00 52.86 52.44 2occ s ASN 72 Cb -0.41 -1.79 1.32 0.00 -0.55 0.00 0.00 41.25 39.81 2occ s ASN 72 CO 0.36 -0.43 1.79 -0.65 -2.79 0.00 0.00 177.10 175.38 2occ h PRO 73 N 8.04 0.20 -0.02 0.43 0.11 -1.94 0.96 132.00 139.78 2occ h PRO 73 Ca -0.16 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.84 2occ h PRO 73 Cb 1.05 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2occ h PRO 73 CO 0.63 0.13 -0.45 -0.09 -0.21 0.00 0.00 178.00 178.01 2occ h ARG 74 N 0.20 0.03 0.00 1.05 2.43 -2.00 -3.36 114.38 112.74 2occ h ARG 74 Ca 0.58 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 2occ h ARG 74 Cb 1.85 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2occ h ARG 74 CO -0.17 0.48 -0.01 1.33 -1.51 0.00 0.00 179.97 180.09 2occ n VAL 75 N -4.00 0.00 -3.92 0.20 0.24 -0.10 -4.72 118.33 106.03 2occ n VAL 75 Ca -0.02 -0.37 -0.35 0.00 -2.04 0.00 0.00 64.34 61.57 2occ n VAL 75 Cb 0.48 0.99 -0.14 0.00 -1.47 0.00 0.00 33.84 33.70 2occ n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2occ s ASN 76 N -0.77 4.87 0.53 -1.34 0.02 0.14 -4.85 114.94 113.54 2occ s ASN 76 Ca 0.00 -1.33 -0.17 0.00 -1.02 0.00 0.00 52.86 50.34 2occ s ASN 76 Cb 0.00 -1.70 -0.07 0.00 0.02 0.00 0.00 41.25 39.50 2occ s ASN 76 CO 0.00 -0.27 1.01 -2.16 0.02 0.00 0.00 177.10 175.70 2occ s PRO 77 N 1.23 3.73 0.92 -0.60 0.04 -1.26 -4.61 135.00 134.46 2occ s PRO 77 Ca -0.05 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 2occ s PRO 77 Cb -0.20 -2.10 0.20 0.00 0.04 0.00 0.00 34.50 32.44 2occ s PRO 77 CO -0.02 -0.46 1.26 -0.51 0.04 0.00 0.00 177.00 177.32 2occ s LEU 78 N -4.11 2.81 0.62 -3.56 1.02 -0.66 -4.87 118.68 109.92 2occ s LEU 78 Ca 0.61 -0.02 0.35 0.00 0.02 0.00 0.00 54.13 55.09 2occ s LEU 78 Cb -0.13 -2.01 2.02 0.00 0.02 0.00 0.00 46.19 46.10 2occ s LEU 78 CO 0.31 -2.64 2.29 -0.65 0.02 0.00 0.00 176.35 175.68 2occ h PRO 79 N -1.44 0.00 -0.68 1.29 0.11 -1.89 -1.86 132.00 127.53 2occ h PRO 79 Ca -0.41 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.49 2occ h PRO 79 Cb 1.23 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.22 2occ h PRO 79 CO 0.34 0.00 0.23 0.25 -0.21 0.00 0.00 178.00 178.61 2occ n THR 80 N -3.59 2.87 0.00 -1.15 -2.24 -1.26 -4.92 114.28 103.99 2occ n THR 80 Ca -0.03 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 2occ n THR 80 Cb 0.08 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2occ n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2occ n GLY 81 N -0.27 0.74 3.70 3.38 0.00 -0.70 -5.00 105.19 107.04 2occ n GLY 81 Ca 0.39 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 2occ n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2occ n TYR 82 N 1.06 1.91 0.19 1.61 4.01 -1.26 -1.65 117.16 123.03 2occ n TYR 82 Ca 0.00 0.46 0.03 0.00 -0.16 0.00 0.00 57.90 58.24 2occ n TYR 82 Cb 0.00 -2.32 0.36 0.00 -0.31 0.00 0.00 39.34 37.07 2occ n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2occ h GLU 83 N 1.52 0.00 0.00 -0.72 5.08 -1.86 -3.46 114.58 115.14 2occ h GLU 83 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2occ h GLU 83 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2occ h GLU 83 CO 0.57 0.39 0.00 1.63 -1.00 0.00 0.00 179.01 180.60