#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n SER 2 N 0.00 0.46 0.00 0.00 2.88 -1.26 -5.09 113.62 110.61 3abm n SER 2 Ca 0.00 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 3abm n SER 2 Cb 0.00 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3abm n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abm n ALA 3 N -0.49 0.00 0.00 -1.46 0.00 -1.26 -4.17 120.51 113.13 3abm n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abm n ALA 3 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3abm n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3abm n ALA 4 N 0.01 0.00 -2.15 0.00 0.00 -1.26 -5.13 120.51 111.98 3abm n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abm n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3abm n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abm n LYS 5 N 0.00 0.44 0.02 0.00 5.02 -1.26 -5.12 118.16 117.27 3abm n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3abm n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3abm n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abm n GLY 6 N 5.00 -0.71 0.00 0.72 0.00 -1.26 -5.11 105.19 103.83 3abm n GLY 6 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3abm n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3abm n ASP 7 N -2.51 0.00 0.00 1.61 -0.08 -1.26 -4.75 116.55 109.55 3abm n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3abm n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3abm n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3abm n HIS 8 N -0.34 0.00 -0.23 -0.67 8.25 -1.26 -4.60 115.22 116.37 3abm n HIS 8 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 3abm n HIS 8 Cb 0.00 -0.23 0.07 0.00 1.12 0.00 0.00 29.99 30.95 3abm n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3abm n GLY 9 N -0.23 -1.09 0.00 -1.41 0.00 -1.26 -5.12 105.19 96.07 3abm n GLY 9 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3abm n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 10 N -1.37 2.01 0.00 -0.02 0.00 -1.26 -5.31 105.19 99.24 3abm n GLY 10 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3abm n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 12 N 0.00 0.48 0.29 -0.02 0.00 -1.26 -4.90 105.19 99.78 3abm n GLY 12 Ca 0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 3abm n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abm h ALA 13 N 0.00 0.76 -0.54 4.61 0.00 -2.05 -2.51 119.26 119.53 3abm h ALA 13 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3abm h ALA 13 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3abm h ALA 13 CO 0.00 0.61 0.30 -0.09 0.00 0.00 0.00 179.25 180.07 3abm h ARG 14 N 0.89 0.74 0.04 0.00 2.43 -1.98 0.55 114.38 117.05 3abm h ARG 14 Ca 0.16 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3abm h ARG 14 Cb 0.58 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3abm h ARG 14 CO 0.03 0.57 -0.02 1.15 -1.51 0.00 0.00 179.97 180.20 3abm h THR 15 N 0.72 0.99 -0.24 0.20 2.02 -1.88 -0.78 112.91 113.94 3abm h THR 15 Ca 0.19 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 3abm h THR 15 Cb 0.04 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3abm h THR 15 CO -0.03 0.02 -0.02 -0.50 0.37 0.00 0.00 175.52 175.36 3abm h TRP 16 N -0.08 0.37 -0.59 3.16 4.06 -1.29 -1.47 115.95 120.10 3abm h TRP 16 Ca -0.00 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 3abm h TRP 16 Cb 0.07 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 3abm h TRP 16 CO -0.07 0.39 -0.00 -0.09 -3.56 0.00 0.00 178.44 175.11 3abm h ARG 17 N 0.35 1.05 -0.45 0.49 2.43 -0.84 -0.73 114.38 116.68 3abm h ARG 17 Ca 0.08 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3abm h ARG 17 Cb 0.28 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3abm h ARG 17 CO 0.01 1.03 0.26 0.35 -1.51 0.00 0.00 179.97 180.11 3abm h PHE 18 N 0.95 0.49 -0.84 2.20 -0.00 -0.77 -1.66 116.94 117.30 3abm h PHE 18 Ca 0.17 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 58.12 3abm h PHE 18 Cb 0.56 -0.15 -0.04 0.00 -0.00 0.00 0.00 35.95 36.32 3abm h PHE 18 CO 0.04 0.27 0.39 -0.07 -0.00 0.00 0.00 178.31 178.95 3abm h LEU 19 N 0.52 1.11 -0.06 0.59 3.38 -1.20 0.43 115.31 120.07 3abm h LEU 19 Ca 0.18 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3abm h LEU 19 Cb 0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3abm h LEU 19 CO -0.09 0.94 -0.12 0.74 0.09 0.00 0.00 178.44 180.00 3abm h THR 20 N 1.20 0.69 0.00 0.22 2.02 -0.74 0.17 112.91 116.47 3abm h THR 20 Ca 0.29 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.27 3abm h THR 20 Cb 0.14 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3abm h THR 20 CO -0.03 0.00 -1.45 -0.26 0.37 0.00 0.00 175.52 174.15 3abm h PHE 21 N -0.17 0.00 0.00 3.16 0.05 -1.28 0.70 116.94 119.40 3abm h PHE 21 Ca 0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.85 3abm h PHE 21 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.21 3abm h PHE 21 CO -0.21 0.71 -1.49 0.41 -0.18 0.00 0.00 178.31 177.55 3abm n GLY 22 N 1.43 -0.99 1.36 -1.45 0.00 0.15 -4.33 105.19 101.36 3abm n GLY 22 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3abm n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3abm n LEU 23 N -1.87 0.37 -0.03 0.99 7.94 -0.80 -4.78 117.00 118.81 3abm n LEU 23 Ca 0.00 0.15 -0.13 0.00 -1.11 0.00 0.00 56.01 54.91 3abm n LEU 23 Cb 0.44 -0.04 -0.10 0.00 0.53 0.00 0.00 43.42 44.25 3abm n LEU 23 CO 0.44 -0.50 0.58 0.00 -1.11 0.00 0.00 177.39 176.80 3abm h ALA 24 N 0.00 0.04 -0.20 1.96 0.00 -0.42 -2.42 119.26 118.21 3abm h ALA 24 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 3abm h ALA 24 Cb 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3abm h ALA 24 CO 0.00 -0.14 -0.61 -0.07 0.00 0.00 0.00 179.25 178.43 3abm h LEU 25 N -0.46 0.89 -1.51 0.00 3.38 -1.10 -1.76 115.31 114.75 3abm h LEU 25 Ca 0.00 -0.58 0.25 0.00 0.09 0.00 0.00 57.88 57.63 3abm h LEU 25 Cb 0.62 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3abm h LEU 25 CO 0.01 1.32 0.66 -0.65 0.09 0.00 0.00 178.44 179.87 3abm h PRO 26 N 0.51 0.33 -0.20 1.13 0.11 -1.75 0.09 132.00 132.22 3abm h PRO 26 Ca -0.02 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.93 3abm h PRO 26 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3abm h PRO 26 CO 0.13 0.22 -0.43 0.77 -0.21 0.00 0.00 178.00 178.48 3abm h SER 27 N 0.34 0.73 -0.53 -2.05 0.02 -0.82 -0.85 113.55 110.40 3abm h SER 27 Ca 0.53 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3abm h SER 27 Cb 1.45 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 3abm h SER 27 CO -0.21 1.15 0.31 0.58 -1.14 0.00 0.00 176.83 177.53 3abm h VAL 28 N 0.34 1.04 -0.11 2.27 2.07 -0.93 -0.86 116.25 120.08 3abm h VAL 28 Ca 0.00 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3abm h VAL 28 Cb 1.04 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3abm h VAL 28 CO 0.10 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 3abm h ALA 29 N 1.24 0.08 -0.32 1.67 0.00 -0.82 0.16 119.26 121.27 3abm h ALA 29 Ca 0.22 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3abm h ALA 29 Cb 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3abm h ALA 29 CO -0.11 -0.48 -0.04 -0.07 0.00 0.00 0.00 179.25 178.56 3abm h LEU 30 N 0.02 -0.21 -1.83 0.00 3.38 -1.05 -1.79 115.31 113.82 3abm h LEU 30 Ca 0.05 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3abm h LEU 30 Cb 0.07 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3abm h LEU 30 CO -0.10 -0.07 -0.10 0.00 0.09 0.00 0.00 178.44 178.27 3abm h THR 32 N 0.00 1.45 0.29 0.00 2.02 -0.50 -2.01 112.91 114.16 3abm h THR 32 Ca -0.00 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 3abm h THR 32 Cb 0.40 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 3abm h THR 32 CO 0.01 0.45 -0.37 0.25 0.37 0.00 0.00 175.52 176.23 3abm h LEU 33 N -0.30 -1.04 -0.92 2.58 7.12 -1.21 -0.00 115.31 121.53 3abm h LEU 33 Ca -0.01 0.09 0.27 0.00 0.13 0.00 0.00 57.88 58.36 3abm h LEU 33 Cb 0.84 0.36 -0.15 0.00 -0.53 0.00 0.00 40.66 41.17 3abm h LEU 33 CO 0.04 -0.46 0.26 -1.13 -0.13 0.00 0.00 178.44 177.02 3abm h ASN 34 N -0.68 -0.01 -0.34 1.25 -0.73 -1.41 -1.37 115.58 112.29 3abm h ASN 34 Ca -0.04 0.22 -0.16 0.00 1.87 0.00 0.00 56.30 58.19 3abm h ASN 34 Cb 0.61 0.29 -0.00 0.00 0.27 0.00 0.00 38.32 39.49 3abm h ASN 34 CO -0.09 -0.21 -0.42 0.28 -0.37 0.00 0.00 177.43 176.61 3abm h SER 35 N 0.17 0.96 -1.34 1.15 0.02 -1.16 -2.12 113.55 111.22 3abm h SER 35 Ca 0.60 -0.49 -0.58 0.00 -0.84 0.00 0.00 61.79 60.48 3abm h SER 35 Cb 1.29 -0.27 -0.21 0.00 0.14 0.00 0.00 62.40 63.35 3abm h SER 35 CO -0.71 1.26 0.60 0.79 -1.14 0.00 0.00 176.83 177.63 3abm n TRP 36 N -4.08 2.03 0.20 3.45 5.03 -0.03 -2.47 117.44 121.57 3abm n TRP 36 Ca -0.03 -2.06 0.00 0.00 3.03 0.00 0.00 57.50 58.43 3abm n TRP 36 Cb 0.56 -1.32 0.00 0.00 -1.03 0.00 0.00 31.31 29.52 3abm n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3abm n LEU 37 N 0.42 -3.66 -0.32 -0.99 7.94 -1.19 -4.80 117.00 114.40 3abm n LEU 37 Ca 0.50 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 3abm n LEU 37 Cb 0.46 3.47 0.00 0.00 0.53 0.00 0.00 43.42 47.87 3abm n LEU 37 CO 0.39 0.21 0.22 1.41 -1.11 0.00 0.00 177.39 178.51 3abm n HIS 38 N -3.33 0.00 -2.98 1.96 8.25 -0.80 -4.83 115.22 113.49 3abm n HIS 38 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3abm n HIS 38 Cb 0.00 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.08 3abm n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3abm n SER 39 N -0.07 0.27 0.00 0.41 3.41 -1.03 -5.01 113.62 111.60 3abm n SER 39 Ca 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 3abm n SER 39 Cb 0.10 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3abm n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abm n GLY 40 N 4.07 -0.65 3.78 5.00 0.00 -1.26 -5.05 105.19 111.08 3abm n GLY 40 Ca 0.02 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 3abm n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3abm s HIS 41 N -2.29 3.17 -0.07 1.61 3.76 -1.26 -5.05 115.29 115.16 3abm s HIS 41 Ca 0.00 1.62 -0.13 0.00 -0.15 0.00 0.00 55.06 56.40 3abm s HIS 41 Cb 0.00 -3.17 -0.05 0.00 1.11 0.00 0.00 32.58 30.47 3abm s HIS 41 CO 0.00 -0.81 0.32 1.03 -0.85 0.00 0.00 174.74 174.43 3abm s ARG 42 N -2.59 3.87 -0.34 1.40 0.52 -1.26 -5.02 118.95 115.53 3abm s ARG 42 Ca 0.60 0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 55.72 3abm s ARG 42 Cb -0.23 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 31.91 3abm s ARG 42 CO 0.28 0.61 2.29 -1.91 0.02 0.00 0.00 175.30 176.59 3abm n GLU 43 N 2.26 1.46 -1.60 3.54 0.00 -1.26 -4.91 120.64 120.14 3abm n GLU 43 Ca -0.15 0.32 -0.43 0.00 0.00 0.00 0.00 57.16 56.91 3abm n GLU 43 Cb 0.53 -3.06 -0.00 0.00 0.00 0.00 0.00 31.44 28.91 3abm n GLU 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3abm n ARG 44 N 8.70 1.36 -2.55 5.31 1.85 -1.26 -4.96 116.66 125.12 3abm n ARG 44 Ca 0.36 0.48 -0.29 0.00 -1.00 0.00 0.00 57.85 57.40 3abm n ARG 44 Cb 0.41 -1.95 -0.01 0.00 -1.05 0.00 0.00 32.46 29.87 3abm n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3abm s PRO 45 N -1.78 3.64 0.40 2.89 0.04 -1.26 -4.99 135.00 133.94 3abm s PRO 45 Ca 0.61 0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 3abm s PRO 45 Cb -0.62 -2.31 -0.12 0.00 0.04 0.00 0.00 34.50 31.49 3abm s PRO 45 CO 0.59 -0.23 0.85 0.00 0.04 0.00 0.00 177.00 178.25 3abm n ALA 46 N -2.03 -0.52 -1.86 8.56 0.00 -1.26 -4.94 120.51 118.46 3abm n ALA 46 Ca 0.02 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 3abm n ALA 46 Cb 0.54 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 3abm n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3abm s PHE 47 N -1.30 3.93 -0.05 0.00 2.19 -1.26 -5.05 117.98 116.44 3abm s PHE 47 Ca 0.63 1.88 -0.02 0.00 0.33 0.00 0.00 56.93 59.74 3abm s PHE 47 Cb -0.60 -3.02 0.03 0.00 -1.31 0.00 0.00 43.02 38.13 3abm s PHE 47 CO 0.57 0.34 0.09 0.42 1.83 0.00 0.00 175.22 178.47 3abm s ILE 48 N -0.93 -0.15 -1.03 3.12 1.01 -1.26 -5.07 121.20 116.90 3abm s ILE 48 Ca 0.43 0.41 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 3abm s ILE 48 Cb -0.26 -0.19 -0.07 0.00 0.01 0.00 0.00 42.46 41.95 3abm s ILE 48 CO 0.32 0.17 2.21 -0.81 0.00 0.00 0.00 174.94 176.84 3abm n PRO 49 N 5.30 2.28 -2.02 2.79 -0.04 -1.26 -4.93 135.00 137.11 3abm n PRO 49 Ca -0.04 -1.69 -0.40 0.00 -0.04 0.00 0.00 63.50 61.34 3abm n PRO 49 Cb 0.50 -2.62 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3abm n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3abm s TYR 50 N 3.46 2.78 -0.93 0.54 2.02 -1.26 -4.88 117.35 119.08 3abm s TYR 50 Ca 0.47 1.38 0.27 0.00 -0.37 0.00 0.00 57.07 58.83 3abm s TYR 50 Cb 0.12 -3.71 0.97 0.00 -0.40 0.00 0.00 41.96 38.94 3abm s TYR 50 CO -0.02 -2.21 1.77 0.72 -1.57 0.00 0.00 175.55 174.24 3abm n HIS 51 N 0.14 0.19 1.32 2.71 8.25 -1.26 -3.03 115.22 123.53 3abm n HIS 51 Ca 0.04 0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.68 3abm n HIS 51 Cb 0.43 -0.54 0.45 0.00 1.12 0.00 0.00 29.99 31.46 3abm n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3abm n HIS 52 N -1.66 0.00 -4.52 4.41 1.44 -1.26 -4.87 115.22 108.75 3abm n HIS 52 Ca 0.06 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.52 3abm n HIS 52 Cb 0.36 -0.12 -0.10 0.00 0.12 0.00 0.00 29.99 30.24 3abm n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3abm s LEU 53 N -2.43 2.69 -1.34 2.39 1.43 -1.17 -4.76 118.68 115.49 3abm s LEU 53 Ca 0.27 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 3abm s LEU 53 Cb 0.20 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.51 3abm s LEU 53 CO 0.49 -0.24 0.85 0.54 0.23 0.00 0.00 176.35 178.22 3abm n ARG 54 N -0.76 -5.59 -1.93 1.70 3.00 -1.26 -4.83 116.66 106.99 3abm n ARG 54 Ca -0.05 0.67 -0.41 0.00 -0.01 0.00 0.00 57.85 58.05 3abm n ARG 54 Cb 0.64 -5.42 -0.02 0.00 0.00 0.00 0.00 32.46 27.66 3abm n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3abm s ILE 55 N -3.52 2.40 -0.34 0.55 -1.09 -1.26 -4.72 121.20 113.23 3abm s ILE 55 Ca 0.18 0.36 -0.00 0.00 -2.23 0.00 0.00 60.65 58.96 3abm s ILE 55 Cb -0.09 -3.23 0.14 0.00 -1.58 0.00 0.00 42.46 37.70 3abm s ILE 55 CO 0.79 0.07 0.23 -0.13 -1.23 0.00 0.00 174.94 174.67 3abm s ARG 56 N -1.08 0.49 0.01 2.79 1.81 -1.26 -4.94 118.95 116.77 3abm s ARG 56 Ca 0.57 -1.07 0.22 0.00 -1.72 0.00 0.00 55.73 53.73 3abm s ARG 56 Cb -0.44 -1.15 -0.13 0.00 -0.45 0.00 0.00 34.95 32.78 3abm s ARG 56 CO 0.51 -1.17 0.88 0.25 -0.68 0.00 0.00 175.30 175.09 3abm n THR 57 N 4.32 0.05 -3.69 0.02 -2.24 -1.26 -4.98 114.28 106.51 3abm n THR 57 Ca 0.08 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 3abm n THR 57 Cb 0.40 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 69.05 3abm n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3abm s LYS 58 N -3.17 0.67 0.45 -0.78 2.20 -1.26 -5.13 119.74 112.71 3abm s LYS 58 Ca 0.04 0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 55.90 3abm s LYS 58 Cb 0.15 0.32 -0.08 0.00 -1.51 0.00 0.00 37.83 36.71 3abm s LYS 58 CO 0.85 -0.12 1.40 -2.14 -0.36 0.00 0.00 175.35 174.97 3abm s PRO 59 N -0.17 3.72 0.81 4.03 0.02 -1.26 -4.96 135.00 137.18 3abm s PRO 59 Ca -0.04 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.21 3abm s PRO 59 Cb -0.03 -2.66 0.08 0.00 0.02 0.00 0.00 34.50 31.91 3abm s PRO 59 CO 0.02 -0.76 1.18 -0.06 -0.33 0.00 0.00 177.00 177.05 3abm s PHE 60 N -1.22 1.88 -0.31 6.54 0.40 -0.13 -4.91 117.98 120.23 3abm s PHE 60 Ca 0.61 1.68 0.03 0.00 -0.60 0.00 0.00 56.93 58.64 3abm s PHE 60 Cb -0.42 -3.41 0.29 0.00 0.51 0.00 0.00 43.02 39.98 3abm s PHE 60 CO 0.54 -2.69 1.28 0.43 0.70 0.00 0.00 175.22 175.48 3abm n SER 61 N -3.39 3.21 -3.71 1.36 7.64 -1.26 -4.06 113.62 113.41 3abm n SER 61 Ca 0.13 -2.58 -0.10 0.00 1.01 0.00 0.00 58.87 57.33 3abm n SER 61 Cb 0.51 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.03 3abm n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3abm s TRP 62 N -1.42 -0.08 0.00 1.43 -2.14 -1.26 -5.06 118.94 110.41 3abm s TRP 62 Ca 0.23 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.71 3abm s TRP 62 Cb 0.19 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.71 3abm s TRP 62 CO 0.05 -0.66 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 3abm n GLY 63 N -0.18 2.19 0.87 3.67 0.00 -1.26 -2.07 105.19 108.42 3abm n GLY 63 Ca -0.15 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.42 3abm n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3abm n ASP 64 N 0.04 2.42 0.00 1.61 5.68 -1.26 -4.88 116.55 120.16 3abm n ASP 64 Ca 0.00 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.05 3abm n ASP 64 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 3abm n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3abm n GLY 65 N 0.51 1.56 0.00 6.12 0.00 -0.88 -4.81 105.19 107.70 3abm n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3abm n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3abm n ASN 66 N 0.00 1.55 -4.42 1.61 5.15 -1.26 -0.95 115.26 116.93 3abm n ASN 66 Ca 0.00 -1.55 -0.32 0.00 -0.60 0.00 0.00 54.58 52.11 3abm n ASN 66 Cb 0.00 -0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 3abm n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3abm s HIS 67 N -0.55 2.57 0.75 1.20 3.76 -1.26 -4.89 115.29 116.87 3abm s HIS 67 Ca 0.00 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 3abm s HIS 67 Cb 0.00 -1.57 0.04 0.00 1.11 0.00 0.00 32.58 32.16 3abm s HIS 67 CO 0.00 0.12 1.08 0.95 -0.85 0.00 0.00 174.74 176.04 3abm s THR 68 N -0.71 3.53 0.23 1.30 -4.23 -1.26 -4.92 115.64 109.57 3abm s THR 68 Ca 0.11 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 61.05 3abm s THR 68 Cb -0.10 -3.20 0.18 0.00 1.34 0.00 0.00 72.50 70.72 3abm s THR 68 CO 0.00 -0.65 1.83 0.15 -0.54 0.00 0.00 174.62 175.41 3abm h PHE 69 N -0.95 0.83 -0.97 3.99 3.04 -1.99 -1.85 116.94 119.04 3abm h PHE 69 Ca -0.45 0.03 -0.61 0.00 3.98 0.00 0.00 57.97 60.92 3abm h PHE 69 Cb 1.24 -0.26 -0.38 0.00 2.56 0.00 0.00 35.95 39.11 3abm h PHE 69 CO 0.55 0.40 -0.16 1.19 -2.02 0.00 0.00 178.31 178.27 3abm n PHE 70 N -4.71 2.98 -1.63 0.41 0.99 -1.26 -5.05 117.46 109.19 3abm n PHE 70 Ca 0.11 -2.57 -0.52 0.00 -0.00 0.00 0.00 57.45 54.47 3abm n PHE 70 Cb 0.19 -0.72 -0.06 0.00 -1.00 0.00 0.00 39.48 37.89 3abm n PHE 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 3abm n HIS 71 N -0.75 1.81 -3.89 1.38 -0.00 -0.70 -4.98 115.22 108.09 3abm n HIS 71 Ca 0.50 0.51 -0.35 0.00 0.46 0.00 0.00 57.72 58.84 3abm n HIS 71 Cb 0.80 -2.42 -0.14 0.00 -0.12 0.00 0.00 29.99 28.12 3abm n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3abm s ASN 72 N 1.41 4.93 0.43 0.26 3.84 -1.26 -5.00 114.94 119.54 3abm s ASN 72 Ca 0.87 -1.31 0.15 0.00 0.21 0.00 0.00 52.86 52.77 3abm s ASN 72 Cb -0.91 -1.72 1.04 0.00 -0.55 0.00 0.00 41.25 39.11 3abm s ASN 72 CO 0.49 -0.28 1.93 -0.65 -2.79 0.00 0.00 177.10 175.80 3abm h PRO 73 N 8.01 0.41 -0.34 0.43 0.11 -1.94 0.32 132.00 139.00 3abm h PRO 73 Ca -0.21 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.81 3abm h PRO 73 Cb 1.06 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3abm h PRO 73 CO 0.54 0.27 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.42 3abm h ARG 74 N 0.42 0.57 0.00 1.05 1.12 -1.94 -3.37 114.38 112.23 3abm h ARG 74 Ca 0.36 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 3abm h ARG 74 Cb 0.79 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 3abm h ARG 74 CO -0.11 0.67 -0.48 1.33 -3.11 0.00 0.00 179.97 178.27 3abm n VAL 75 N -4.20 0.00 -3.55 0.20 0.24 -0.30 -4.90 118.33 105.81 3abm n VAL 75 Ca 0.01 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 3abm n VAL 75 Cb 0.32 0.73 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 3abm n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3abm s ASN 76 N -1.42 5.73 0.61 -1.34 0.01 0.96 -5.02 114.94 114.47 3abm s ASN 76 Ca 0.00 -1.66 -0.16 0.00 -0.71 0.00 0.00 52.86 50.33 3abm s ASN 76 Cb 0.00 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 3abm s ASN 76 CO 0.00 -0.62 1.07 -2.16 -1.51 0.00 0.00 177.10 173.88 3abm s PRO 77 N 1.43 3.16 0.93 -0.60 0.04 -1.26 -4.71 135.00 134.00 3abm s PRO 77 Ca 0.04 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 3abm s PRO 77 Cb -0.25 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.45 3abm s PRO 77 CO 0.01 -0.94 1.25 -0.51 0.04 0.00 0.00 177.00 176.85 3abm s LEU 78 N -4.60 2.43 0.62 -3.56 1.43 -0.23 -4.87 118.68 109.90 3abm s LEU 78 Ca 0.65 0.50 0.33 0.00 -1.03 0.00 0.00 54.13 54.58 3abm s LEU 78 Cb -0.17 -2.67 1.88 0.00 0.03 0.00 0.00 46.19 45.26 3abm s LEU 78 CO 0.38 -2.60 2.18 -0.65 0.23 0.00 0.00 176.35 175.89 3abm h PRO 79 N -1.55 0.00 -0.02 1.29 0.11 -1.90 -1.51 132.00 128.42 3abm h PRO 79 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3abm h PRO 79 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3abm h PRO 79 CO 0.48 0.00 -0.30 0.25 -0.21 0.00 0.00 178.00 178.21 3abm n THR 80 N -3.53 0.00 0.00 -1.15 -2.24 -1.26 -4.85 114.28 101.25 3abm n THR 80 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3abm n THR 80 Cb 0.22 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3abm n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3abm n GLY 81 N 1.37 0.64 3.77 3.38 0.00 -0.57 -5.06 105.19 108.72 3abm n GLY 81 Ca 0.12 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 3abm n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3abm s TYR 82 N -1.03 2.65 0.68 1.61 2.02 -1.26 -1.06 117.35 120.95 3abm s TYR 82 Ca 0.00 1.53 -0.13 0.00 -0.37 0.00 0.00 57.07 58.10 3abm s TYR 82 Cb 0.00 -3.35 0.01 0.00 -0.40 0.00 0.00 41.96 38.22 3abm s TYR 82 CO 0.00 -1.70 1.08 -1.21 -1.57 0.00 0.00 175.55 172.15 3abm s GLU 83 N -3.19 2.82 0.00 -0.62 2.02 -1.26 -4.89 118.70 113.58 3abm s GLU 83 Ca 0.72 1.22 0.14 0.00 0.02 0.00 0.00 54.97 57.07 3abm s GLU 83 Cb -0.26 -1.96 0.84 0.00 0.10 0.00 0.00 34.13 32.85 3abm s GLU 83 CO 0.30 -1.21 1.26 1.63 0.02 0.00 0.00 175.26 177.26