#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ n SER 2 N 0.00 0.14 0.00 0.00 2.88 -1.26 -5.07 113.62 110.31 1occ n SER 2 Ca 0.00 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1occ n SER 2 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1occ n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1occ n ALA 3 N -3.31 2.34 0.00 -1.46 0.00 -1.26 -5.18 120.51 111.65 1occ n ALA 3 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1occ n ALA 3 Cb 0.26 0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1occ n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1occ n ALA 4 N -2.26 0.00 -2.00 0.00 0.00 -1.26 -5.20 120.51 109.78 1occ n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1occ n ALA 4 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1occ n ALA 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1occ n LYS 5 N 0.00 0.00 -1.62 0.00 0.00 -1.26 -5.12 118.16 110.16 1occ n LYS 5 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.98 1occ n LYS 5 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1occ n LYS 5 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1occ s GLY 6 N 0.00 -0.42 0.25 3.14 0.00 -1.26 -4.96 107.32 104.07 1occ s GLY 6 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 1occ s GLY 6 CO 0.00 4.07 1.17 -0.35 0.00 0.00 0.00 173.10 177.99 1occ s ASP 7 N 11.54 7.12 -0.38 1.64 -1.08 -1.26 -4.96 116.67 129.29 1occ s ASP 7 Ca 0.93 2.32 0.13 0.00 -0.52 0.00 0.00 52.55 55.41 1occ s ASP 7 Cb -0.16 -2.62 0.41 0.00 -1.46 0.00 0.00 42.92 39.09 1occ s ASP 7 CO 0.22 -0.30 0.90 0.00 0.52 0.00 0.00 175.17 176.52 1occ n HIS 8 N 1.70 1.45 0.00 -5.34 1.44 -1.26 -5.03 115.22 108.18 1occ n HIS 8 Ca 0.01 -3.29 0.00 0.00 -2.01 0.00 0.00 57.72 52.44 1occ n HIS 8 Cb 0.44 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.19 1occ n HIS 8 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1occ n GLY 9 N -0.03 0.00 3.37 -1.39 0.00 -1.26 -4.16 105.19 101.72 1occ n GLY 9 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1occ n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1occ s GLY 10 N -0.62 1.90 -0.28 -0.02 0.00 -1.26 -5.08 107.32 101.95 1occ s GLY 10 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 44.72 43.00 1occ s GLY 10 CO 0.00 0.80 0.07 -0.51 0.00 0.00 0.00 173.10 173.46 1occ s THR 11 N 1.53 3.97 0.00 0.90 -4.23 -1.26 -4.83 115.64 111.73 1occ s THR 11 Ca 0.02 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1occ s THR 11 Cb -0.19 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1occ s THR 11 CO 0.06 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1occ n GLY 12 N 4.87 5.54 0.28 3.99 0.00 -1.26 -4.97 105.19 113.64 1occ n GLY 12 Ca -0.15 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 1occ n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1occ h ALA 13 N 1.00 1.24 -0.85 4.61 0.00 -1.99 -2.28 119.26 120.98 1occ h ALA 13 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1occ h ALA 13 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1occ h ALA 13 CO 0.00 0.51 0.56 -0.09 0.00 0.00 0.00 179.25 180.23 1occ h ARG 14 N 0.65 0.95 -0.42 0.00 2.43 -1.98 0.86 114.38 116.87 1occ h ARG 14 Ca 0.14 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1occ h ARG 14 Cb 0.37 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1occ h ARG 14 CO 0.01 0.63 -0.21 1.15 -1.51 0.00 0.00 179.97 180.04 1occ h THR 15 N 0.98 1.28 0.00 0.20 2.02 -1.74 -1.11 112.91 114.54 1occ h THR 15 Ca 0.36 -1.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.07 1occ h THR 15 Cb 0.16 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1occ h THR 15 CO -0.12 0.46 -0.55 -0.50 0.37 0.00 0.00 175.52 175.18 1occ h TRP 16 N 0.71 0.00 0.00 3.16 4.06 -1.02 -1.00 115.95 121.86 1occ h TRP 16 Ca 0.09 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.89 1occ h TRP 16 Cb 0.78 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.92 1occ h TRP 16 CO 0.06 0.55 -0.73 -0.09 -3.56 0.00 0.00 178.44 174.67 1occ h ARG 17 N 0.00 0.00 -0.11 0.49 1.12 -0.71 -0.52 114.38 114.65 1occ h ARG 17 Ca -0.01 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.81 1occ h ARG 17 Cb 1.10 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.05 1occ h ARG 17 CO 0.07 0.73 -0.14 0.35 -3.11 0.00 0.00 179.97 177.87 1occ h PHE 18 N 0.00 0.36 -0.47 2.20 3.04 -0.90 -2.44 116.94 118.73 1occ h PHE 18 Ca -0.01 -0.12 -0.08 0.00 3.98 0.00 0.00 57.97 61.74 1occ h PHE 18 Cb 1.29 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.71 1occ h PHE 18 CO 0.00 0.74 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.91 1occ h LEU 19 N -0.11 0.78 0.19 0.59 3.38 -1.08 0.29 115.31 119.35 1occ h LEU 19 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1occ h LEU 19 Cb 0.69 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1occ h LEU 19 CO 0.03 0.88 -0.10 0.74 0.09 0.00 0.00 178.44 180.08 1occ h THR 20 N 0.74 0.78 0.00 0.22 2.02 -0.97 0.62 112.91 116.33 1occ h THR 20 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1occ h THR 20 Cb 0.52 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1occ h THR 20 CO 0.03 0.00 -0.88 -0.26 0.37 0.00 0.00 175.52 174.77 1occ h PHE 21 N -0.28 0.00 -0.00 3.16 0.04 -1.45 0.19 116.94 118.60 1occ h PHE 21 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1occ h PHE 21 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1occ h PHE 21 CO -0.07 0.08 -0.81 0.41 -0.60 0.00 0.00 178.31 177.32 1occ n GLY 22 N 1.19 -0.88 1.97 -1.45 0.00 0.10 -4.43 105.19 101.70 1occ n GLY 22 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1occ n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1occ n LEU 23 N -1.26 -0.00 -0.10 0.99 7.94 -0.07 -4.84 117.00 119.65 1occ n LEU 23 Ca 0.05 0.01 -0.07 0.00 -1.11 0.00 0.00 56.01 54.90 1occ n LEU 23 Cb 0.35 0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.26 1occ n LEU 23 CO 0.39 -0.51 0.50 0.00 -1.11 0.00 0.00 177.39 176.66 1occ h ALA 24 N 0.00 -0.48 -0.67 1.96 0.00 -0.95 -2.08 119.26 117.04 1occ h ALA 24 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1occ h ALA 24 Cb 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1occ h ALA 24 CO 0.00 -0.63 0.43 -0.07 0.00 0.00 0.00 179.25 178.98 1occ h LEU 25 N -0.15 0.78 -1.50 0.00 3.38 -0.85 -2.44 115.31 114.53 1occ h LEU 25 Ca 0.05 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1occ h LEU 25 Cb 0.28 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1occ h LEU 25 CO -0.34 0.58 0.44 -0.65 0.09 0.00 0.00 178.44 178.56 1occ h PRO 26 N 0.91 0.57 -0.24 1.13 0.11 -1.68 -1.65 132.00 131.15 1occ h PRO 26 Ca 0.24 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.29 1occ h PRO 26 Cb -0.08 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 1occ h PRO 26 CO -0.05 0.38 0.03 0.77 -0.21 0.00 0.00 178.00 178.91 1occ h SER 27 N 0.58 0.39 -0.19 -2.05 0.02 -0.91 -0.51 113.55 110.87 1occ h SER 27 Ca 0.29 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1occ h SER 27 Cb 0.39 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1occ h SER 27 CO -0.09 0.56 0.13 0.58 -1.14 0.00 0.00 176.83 176.87 1occ h VAL 28 N 0.20 0.94 -0.02 2.27 2.07 -1.06 -0.52 116.25 120.12 1occ h VAL 28 Ca 0.07 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1occ h VAL 28 Cb 0.34 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1occ h VAL 28 CO 0.01 0.01 -0.20 0.00 0.02 0.00 0.00 177.57 177.41 1occ h ALA 29 N 1.90 0.05 0.72 1.67 0.00 -0.71 -1.91 119.26 120.99 1occ h ALA 29 Ca 0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1occ h ALA 29 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1occ h ALA 29 CO -0.01 0.04 -0.49 -0.07 0.00 0.00 0.00 179.25 178.73 1occ h LEU 30 N -0.45 -1.26 -1.40 0.00 3.38 -0.37 -0.70 115.31 114.51 1occ h LEU 30 Ca -0.02 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.21 1occ h LEU 30 Cb 0.90 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 1occ h LEU 30 CO 0.04 -0.72 0.59 0.00 0.09 0.00 0.00 178.44 178.43 1occ h THR 32 N 0.52 1.15 0.24 0.00 2.02 -0.74 0.11 112.91 116.21 1occ h THR 32 Ca 0.47 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1occ h THR 32 Cb 1.00 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1occ h THR 32 CO -0.20 0.15 -0.12 0.25 0.37 0.00 0.00 175.52 175.97 1occ h LEU 33 N 0.45 -0.27 -0.54 2.58 5.85 0.81 0.71 115.31 124.89 1occ h LEU 33 Ca 0.13 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1occ h LEU 33 Cb 0.07 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.07 1occ h LEU 33 CO -0.02 -0.13 -0.27 -1.13 -0.34 0.00 0.00 178.44 176.55 1occ h ASN 34 N -0.40 -0.94 0.96 1.25 -1.24 -0.62 0.59 115.58 115.17 1occ h ASN 34 Ca -0.03 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1occ h ASN 34 Cb 0.31 0.49 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1occ h ASN 34 CO 0.05 -0.28 0.00 0.28 -1.29 0.00 0.00 177.43 176.20 1occ h SER 35 N -0.14 0.00 1.35 1.15 0.02 -0.51 0.17 113.55 115.59 1occ h SER 35 Ca 0.24 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1occ h SER 35 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1occ h SER 35 CO -0.62 0.00 -0.66 -0.25 -1.14 0.00 0.00 176.83 174.15 1occ h TRP 36 N 0.00 0.00 0.12 3.45 7.01 0.23 -3.24 115.95 123.52 1occ h TRP 36 Ca 0.00 0.00 -0.36 0.00 2.11 0.00 0.00 58.89 60.64 1occ h TRP 36 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 1occ h TRP 36 CO 0.00 0.10 -1.98 1.28 -2.79 0.00 0.00 178.44 175.05 1occ n LEU 37 N -2.89 2.62 -0.81 0.65 4.32 0.15 -4.02 117.00 117.02 1occ n LEU 37 Ca 0.01 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1occ n LEU 37 Cb 0.59 -1.11 0.05 0.00 -1.62 0.00 0.00 43.42 41.33 1occ n LEU 37 CO 0.38 0.84 0.40 1.41 -1.22 0.00 0.00 177.39 179.20 1occ n HIS 38 N -3.52 0.35 -0.43 -1.77 8.25 0.48 -4.58 115.22 114.01 1occ n HIS 38 Ca -0.32 -0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 56.87 1occ n HIS 38 Cb 1.03 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.89 1occ n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1occ n SER 39 N 0.13 3.00 -4.61 0.41 3.41 -1.22 -4.88 113.62 109.86 1occ n SER 39 Ca 0.05 -1.93 -0.43 0.00 -0.26 0.00 0.00 58.87 56.30 1occ n SER 39 Cb 0.46 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1occ n SER 39 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1occ s GLY 40 N 2.22 1.15 -0.56 5.00 0.00 -1.26 -4.95 107.32 108.91 1occ s GLY 40 Ca 0.19 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.78 1occ s GLY 40 CO 0.00 2.87 1.59 -1.58 0.00 0.00 0.00 173.10 175.98 1occ s HIS 41 N 5.36 2.03 0.23 1.90 2.46 -1.26 -4.98 115.29 121.03 1occ s HIS 41 Ca 0.66 0.55 -0.30 0.00 0.47 0.00 0.00 55.06 56.43 1occ s HIS 41 Cb -0.19 -4.28 -0.10 0.00 -0.13 0.00 0.00 32.58 27.88 1occ s HIS 41 CO 0.30 -2.21 1.43 -0.98 -2.47 0.00 0.00 174.74 170.80 1occ s ARG 42 N 6.03 4.29 0.04 2.88 1.04 -1.26 -4.96 118.95 127.01 1occ s ARG 42 Ca 0.59 2.25 -0.31 0.00 -1.04 0.00 0.00 55.73 57.23 1occ s ARG 42 Cb -0.13 -3.13 -0.06 0.00 -2.04 0.00 0.00 34.95 29.59 1occ s ARG 42 CO 0.24 -0.41 1.33 -2.00 -0.04 0.00 0.00 175.30 174.42 1occ s GLU 43 N -0.14 4.34 -0.41 3.89 2.56 -1.26 -4.87 118.70 122.80 1occ s GLU 43 Ca 0.60 1.92 -0.43 0.00 0.00 0.00 0.00 54.97 57.06 1occ s GLU 43 Cb -0.41 -3.43 -0.19 0.00 2.00 0.00 0.00 34.13 32.10 1occ s GLU 43 CO 0.41 -0.45 1.43 2.89 -0.56 0.00 0.00 175.26 178.98 1occ n ARG 44 N 4.63 0.00 -1.56 4.30 1.85 -1.26 -4.82 116.66 119.80 1occ n ARG 44 Ca 0.11 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.53 1occ n ARG 44 Cb 0.44 -1.40 -0.00 0.00 -1.05 0.00 0.00 32.46 30.45 1occ n ARG 44 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1occ n PRO 45 N 3.47 1.14 -1.71 2.89 -0.04 -1.26 -4.90 135.00 134.58 1occ n PRO 45 Ca 0.28 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.71 1occ n PRO 45 Cb -0.04 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1occ n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1occ n ALA 46 N -0.20 2.54 -2.66 0.55 0.00 -1.26 -4.95 120.51 114.53 1occ n ALA 46 Ca 0.10 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 1occ n ALA 46 Cb 0.35 -2.49 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 1occ n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1occ s PHE 47 N 1.10 3.65 -0.16 0.00 5.36 -1.26 -5.02 117.98 121.65 1occ s PHE 47 Ca 0.76 1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 58.23 1occ s PHE 47 Cb -0.54 -2.99 0.08 0.00 -0.34 0.00 0.00 43.02 39.23 1occ s PHE 47 CO 0.34 0.06 0.27 -1.50 -1.46 0.00 0.00 175.22 172.93 1occ s ILE 48 N 0.79 -0.43 0.00 3.12 2.07 -1.26 -5.07 121.20 120.43 1occ s ILE 48 Ca 0.46 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.84 1occ s ILE 48 Cb -0.20 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1occ s ILE 48 CO 0.25 0.01 0.84 -0.81 -1.91 0.00 0.00 174.94 173.32 1occ n PRO 49 N 5.35 0.00 -1.97 3.50 -0.04 -1.26 -4.91 135.00 135.67 1occ n PRO 49 Ca -0.06 -0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 62.61 1occ n PRO 49 Cb 0.50 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1occ n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1occ s TYR 50 N 4.35 2.81 -0.26 0.54 2.02 -1.26 -4.92 117.35 120.62 1occ s TYR 50 Ca 0.00 1.32 0.21 0.00 -0.37 0.00 0.00 57.07 58.23 1occ s TYR 50 Cb 0.00 -3.82 0.36 0.00 -0.40 0.00 0.00 41.96 38.10 1occ s TYR 50 CO 0.00 -2.37 1.59 0.45 -1.57 0.00 0.00 175.55 173.65 1occ h HIS 51 N 3.06 0.00 -0.06 2.71 3.86 -2.01 -3.20 115.15 119.52 1occ h HIS 51 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1occ h HIS 51 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1occ h HIS 51 CO 0.54 0.19 0.00 -2.39 0.86 0.00 0.00 177.93 177.13 1occ n HIS 52 N -3.17 0.07 -4.57 2.45 1.44 -1.26 -4.79 115.22 105.39 1occ n HIS 52 Ca 0.03 -0.04 -0.26 0.00 -2.01 0.00 0.00 57.72 55.44 1occ n HIS 52 Cb 0.58 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.59 1occ n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1occ s LEU 53 N -1.56 2.40 -1.66 2.39 1.43 -1.21 -4.78 118.68 115.68 1occ s LEU 53 Ca 0.29 -1.47 -0.18 0.00 -1.03 0.00 0.00 54.13 51.73 1occ s LEU 53 Cb 0.14 -0.57 0.16 0.00 0.03 0.00 0.00 46.19 45.95 1occ s LEU 53 CO 0.23 -0.65 0.73 0.54 0.23 0.00 0.00 176.35 177.42 1occ n ARG 54 N -0.92 -2.85 -1.66 1.70 3.00 -1.26 -4.85 116.66 109.82 1occ n ARG 54 Ca -0.07 0.34 -0.41 0.00 -0.01 0.00 0.00 57.85 57.70 1occ n ARG 54 Cb 0.67 -5.05 0.01 0.00 0.00 0.00 0.00 32.46 28.08 1occ n ARG 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1occ n ILE 55 N -4.26 2.49 -3.26 0.55 2.08 -1.26 -4.78 119.36 110.92 1occ n ILE 55 Ca 0.08 -0.50 -0.05 0.00 0.56 0.00 0.00 62.75 62.83 1occ n ILE 55 Cb 0.49 -1.37 -0.04 0.00 -0.75 0.00 0.00 39.64 37.96 1occ n ILE 55 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1occ s ARG 56 N -2.10 0.52 -0.00 0.38 6.06 -1.26 -4.98 118.95 117.57 1occ s ARG 56 Ca 0.62 0.08 0.10 0.00 -2.50 0.00 0.00 55.73 54.03 1occ s ARG 56 Cb -0.54 -0.16 -0.12 0.00 0.06 0.00 0.00 34.95 34.19 1occ s ARG 56 CO 0.58 -1.08 0.37 0.25 -2.50 0.00 0.00 175.30 172.92 1occ n THR 57 N 5.14 0.00 -3.65 4.11 -2.24 -1.26 -4.95 114.28 111.44 1occ n THR 57 Ca 0.04 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1occ n THR 57 Cb 0.51 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1occ n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1occ s LYS 58 N -2.13 0.61 0.31 -0.78 2.20 -1.26 -5.14 119.74 113.54 1occ s LYS 58 Ca 0.02 1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 56.70 1occ s LYS 58 Cb 0.07 0.62 -0.13 0.00 -1.51 0.00 0.00 37.83 36.89 1occ s LYS 58 CO 0.41 -0.19 1.37 -0.35 -0.36 0.00 0.00 175.35 176.23 1occ n PRO 59 N 5.08 2.18 -1.67 4.03 -0.04 -1.26 -4.91 135.00 138.41 1occ n PRO 59 Ca -0.15 0.77 -0.39 0.00 -0.04 0.00 0.00 63.50 63.69 1occ n PRO 59 Cb 0.52 -2.40 0.03 0.00 -0.04 0.00 0.00 33.50 31.62 1occ n PRO 59 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1occ n PHE 60 N 1.02 1.62 0.39 0.54 3.72 -0.80 -4.84 117.46 119.12 1occ n PHE 60 Ca 0.07 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.95 1occ n PHE 60 Cb 0.35 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.61 1occ n PHE 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1occ n SER 61 N -0.33 0.58 -3.53 4.37 2.88 -1.26 -4.07 113.62 112.25 1occ n SER 61 Ca 0.10 -0.78 -0.14 0.00 -1.33 0.00 0.00 58.87 56.72 1occ n SER 61 Cb 0.43 -0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1occ n SER 61 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1occ s TRP 62 N -0.61 -0.50 0.00 0.66 -2.14 -1.26 -5.05 118.94 110.05 1occ s TRP 62 Ca 0.00 0.58 0.00 0.00 2.66 0.00 0.00 56.10 59.34 1occ s TRP 62 Cb 0.00 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.77 1occ s TRP 62 CO 0.00 -0.68 0.00 0.41 -2.66 0.00 0.00 176.95 174.02 1occ n GLY 63 N 0.35 2.69 0.67 3.67 0.00 -1.26 -1.71 105.19 109.60 1occ n GLY 63 Ca -0.18 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.53 1occ n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1occ n ASP 64 N 3.47 1.92 -1.14 1.61 5.75 -1.26 -4.90 116.55 122.01 1occ n ASP 64 Ca 0.00 -2.07 -0.15 0.00 -0.01 0.00 0.00 54.79 52.56 1occ n ASP 64 Cb 0.00 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 1occ n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1occ n GLY 65 N 0.87 1.49 0.00 6.12 0.00 -0.69 -4.74 105.19 108.24 1occ n GLY 65 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1occ n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1occ n ASN 66 N -0.73 0.31 -4.19 1.61 5.15 -1.26 -1.90 115.26 114.25 1occ n ASN 66 Ca -0.15 -1.11 -0.34 0.00 -0.60 0.00 0.00 54.58 52.38 1occ n ASN 66 Cb 0.54 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.64 1occ n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1occ s HIS 67 N -0.11 2.97 0.86 1.20 3.76 -1.26 -4.89 115.29 117.82 1occ s HIS 67 Ca 0.00 -1.50 -0.12 0.00 -0.15 0.00 0.00 55.06 53.29 1occ s HIS 67 Cb 0.00 -2.02 0.09 0.00 1.11 0.00 0.00 32.58 31.75 1occ s HIS 67 CO 0.00 -0.72 1.01 -2.37 -0.85 0.00 0.00 174.74 171.81 1occ n THR 68 N 4.67 1.10 0.02 1.30 5.66 -1.26 -4.94 114.28 120.84 1occ n THR 68 Ca -0.18 -0.16 -0.03 0.00 -3.05 0.00 0.00 64.05 60.63 1occ n THR 68 Cb 0.48 -1.02 -0.02 0.00 -1.55 0.00 0.00 70.33 68.23 1occ n THR 68 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1occ h PHE 69 N -1.26 -0.26 -1.04 1.09 3.57 -1.99 -3.04 116.94 114.01 1occ h PHE 69 Ca -0.45 0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.53 1occ h PHE 69 Cb 1.29 0.11 -0.16 0.00 2.79 0.00 0.00 35.95 39.98 1occ h PHE 69 CO 0.45 -0.10 0.68 1.19 -2.23 0.00 0.00 178.31 178.30 1occ n PHE 70 N -2.94 1.69 -1.72 0.41 3.01 -1.26 -4.97 117.46 111.67 1occ n PHE 70 Ca -0.01 -2.06 -0.42 0.00 1.01 0.00 0.00 57.45 55.97 1occ n PHE 70 Cb 0.07 -1.46 -0.03 0.00 -0.01 0.00 0.00 39.48 38.05 1occ n PHE 70 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1occ s HIS 71 N -1.52 1.40 -0.34 1.38 2.46 -1.15 -4.97 115.29 112.55 1occ s HIS 71 Ca 0.59 -0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1occ s HIS 71 Cb 0.35 -4.20 0.09 0.00 -0.13 0.00 0.00 32.58 28.69 1occ s HIS 71 CO -0.20 -5.32 0.07 1.21 -2.47 0.00 0.00 174.74 168.03 1occ s ASN 72 N 4.23 4.92 0.51 9.88 3.84 -1.26 -4.98 114.94 132.08 1occ s ASN 72 Ca 0.86 -1.80 0.25 0.00 0.21 0.00 0.00 52.86 52.38 1occ s ASN 72 Cb -0.41 -1.71 1.34 0.00 -0.55 0.00 0.00 41.25 39.92 1occ s ASN 72 CO 0.40 -0.38 1.94 -0.65 -2.79 0.00 0.00 177.10 175.62 1occ h PRO 73 N 7.87 0.10 -0.56 0.43 0.11 -1.94 0.59 132.00 138.61 1occ h PRO 73 Ca -0.13 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1occ h PRO 73 Cb 1.04 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1occ h PRO 73 CO 0.57 0.07 0.20 -0.09 -0.21 0.00 0.00 178.00 178.54 1occ h ARG 74 N 0.10 0.85 -0.00 1.05 2.43 -2.01 -3.33 114.38 113.47 1occ h ARG 74 Ca 0.34 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1occ h ARG 74 Cb 1.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1occ h ARG 74 CO -0.04 0.76 -0.12 1.33 -1.51 0.00 0.00 179.97 180.38 1occ n VAL 75 N -4.47 0.00 -3.95 0.20 0.24 -0.67 -4.63 118.33 105.05 1occ n VAL 75 Ca 0.03 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.55 1occ n VAL 75 Cb 0.18 1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 33.46 1occ n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1occ s ASN 76 N -1.00 4.72 0.53 -1.34 0.02 0.20 -4.78 114.94 113.29 1occ s ASN 76 Ca 0.04 -1.26 -0.11 0.00 -1.02 0.00 0.00 52.86 50.51 1occ s ASN 76 Cb 0.04 -1.67 -0.05 0.00 0.02 0.00 0.00 41.25 39.59 1occ s ASN 76 CO 0.14 -0.23 0.92 -2.16 0.02 0.00 0.00 177.10 175.79 1occ s PRO 77 N 1.22 3.68 0.91 -0.60 0.04 -1.26 -4.43 135.00 134.55 1occ s PRO 77 Ca -0.06 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.47 1occ s PRO 77 Cb -0.19 -2.21 0.18 0.00 0.04 0.00 0.00 34.50 32.32 1occ s PRO 77 CO -0.02 -0.35 1.25 -0.51 0.04 0.00 0.00 177.00 177.41 1occ s LEU 78 N -4.67 2.76 0.35 -3.56 1.02 0.58 -4.86 118.68 110.29 1occ s LEU 78 Ca 0.53 0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.87 1occ s LEU 78 Cb -0.11 -2.28 0.64 0.00 0.02 0.00 0.00 46.19 44.46 1occ s LEU 78 CO 0.44 -2.53 1.99 -0.65 0.02 0.00 0.00 176.35 175.62 1occ h PRO 79 N -1.40 0.84 -0.32 1.29 0.11 -1.90 -2.18 132.00 128.44 1occ h PRO 79 Ca -0.43 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1occ h PRO 79 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1occ h PRO 79 CO 0.39 0.56 -0.26 1.79 -0.21 0.00 0.00 178.00 180.28 1occ h THR 80 N 0.87 1.27 0.00 -1.15 1.35 -1.97 -3.46 112.91 109.82 1occ h THR 80 Ca 0.26 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1occ h THR 80 Cb -0.01 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1occ h THR 80 CO -0.07 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1occ n GLY 81 N -0.26 -0.02 3.63 5.82 0.00 -0.82 -5.02 105.19 108.51 1occ n GLY 81 Ca -0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1occ n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1occ n TYR 82 N -1.35 1.40 -0.01 1.61 4.01 -1.26 -0.31 117.16 121.25 1occ n TYR 82 Ca 0.00 0.56 -0.08 0.00 -0.16 0.00 0.00 57.90 58.22 1occ n TYR 82 Cb 0.00 -2.27 -0.05 0.00 -0.31 0.00 0.00 39.34 36.71 1occ n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1occ h GLU 83 N 1.73 -0.29 0.00 -0.72 4.39 -1.78 -3.44 114.58 114.47 1occ h GLU 83 Ca -0.45 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1occ h GLU 83 Cb 1.33 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1occ h GLU 83 CO 0.58 -0.19 0.00 1.17 -1.16 0.00 0.00 179.01 179.41