#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6r n ARG 22 N 0.00 -5.47 0.00 1.20 1.74 -1.26 -4.63 116.66 108.24 1r6r n ARG 22 Ca 0.00 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1r6r n ARG 22 Cb 0.00 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.02 1r6r n ARG 22 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1r6r n VAL 23 N -4.59 0.00 0.69 1.55 3.14 -1.26 0.48 118.33 118.34 1r6r n VAL 23 Ca -0.06 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1r6r n VAL 23 Cb 0.57 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.48 1r6r n VAL 23 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1r6r n SER 24 N -0.13 2.14 -0.13 6.55 7.64 -1.26 -3.95 113.62 124.48 1r6r n SER 24 Ca 0.00 -2.19 -0.21 0.00 1.01 0.00 0.00 58.87 57.48 1r6r n SER 24 Cb 0.00 -0.40 -0.12 0.00 -1.01 0.00 0.00 64.21 62.69 1r6r n SER 24 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1r6r n THR 25 N 0.24 1.51 0.62 0.44 -1.04 -1.26 -4.25 114.28 110.54 1r6r n THR 25 Ca 0.09 -0.52 0.07 0.00 -2.04 0.00 0.00 64.05 61.65 1r6r n THR 25 Cb 0.43 -1.55 0.35 0.00 -1.82 0.00 0.00 70.33 67.74 1r6r n THR 25 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1r6r n VAL 26 N -3.52 0.76 -0.33 12.58 3.14 -1.25 -3.20 118.33 126.51 1r6r n VAL 26 Ca -0.48 0.19 0.07 0.00 -2.96 0.00 0.00 64.34 61.16 1r6r n VAL 26 Cb 0.96 -0.94 0.26 0.00 -1.06 0.00 0.00 33.84 33.06 1r6r n VAL 26 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1r6r h GLN 27 N 0.00 0.94 -0.08 1.45 1.08 -1.74 -1.03 115.11 115.74 1r6r h GLN 27 Ca 0.00 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1r6r h GLN 27 Cb 0.19 -0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 27.35 1r6r h GLN 27 CO 0.00 0.62 -0.32 -0.56 -0.95 0.00 0.00 178.83 177.63 1r6r h GLN 28 N 0.97 -0.41 -0.01 1.46 -0.00 -1.84 0.55 115.11 115.83 1r6r h GLN 28 Ca 0.45 0.03 -0.13 0.00 -0.00 0.00 0.00 58.65 58.99 1r6r h GLN 28 Cb 0.41 0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 27.97 1r6r h GLN 28 CO -0.21 -0.27 -0.63 1.37 -0.00 0.00 0.00 178.83 179.08 1r6r h LEU 29 N -0.42 0.02 -2.38 0.06 8.10 -1.76 -1.91 115.31 117.02 1r6r h LEU 29 Ca 0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 1r6r h LEU 29 Cb 0.55 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1r6r h LEU 29 CO -0.31 0.65 -0.03 0.74 -4.11 0.00 0.00 178.44 175.37 1r6r h THR 30 N 0.01 0.39 0.00 0.15 2.02 -0.09 0.42 112.91 115.81 1r6r h THR 30 Ca -0.01 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1r6r h THR 30 Cb 1.12 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1r6r h THR 30 CO 0.08 0.03 -1.87 2.29 0.37 0.00 0.00 175.52 176.43 1r6r n LYS 31 N -3.57 0.58 0.03 6.66 2.85 0.08 -4.30 118.16 120.49 1r6r n LYS 31 Ca -0.02 -0.17 0.11 0.00 -1.05 0.00 0.00 58.31 57.17 1r6r n LYS 31 Cb 0.14 -1.51 -0.02 0.00 -0.65 0.00 0.00 35.03 32.98 1r6r n LYS 31 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1r6r n ARG 32 N -2.16 0.40 -0.21 -1.58 1.74 -0.61 -4.09 116.66 110.16 1r6r n ARG 32 Ca -0.03 -0.02 0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1r6r n ARG 32 Cb 0.54 -1.62 0.14 0.00 -1.02 0.00 0.00 32.46 30.50 1r6r n ARG 32 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1r6r n PHE 33 N -2.12 0.52 0.30 -1.55 -1.74 0.14 -3.99 117.46 109.01 1r6r n PHE 33 Ca 0.01 -0.23 0.04 0.00 -0.56 0.00 0.00 57.45 56.71 1r6r n PHE 33 Cb 0.48 -0.06 0.19 0.00 1.52 0.00 0.00 39.48 41.60 1r6r n PHE 33 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1r6r n SER 34 N 0.36 2.93 0.00 5.98 3.41 -1.26 -3.73 113.62 121.32 1r6r n SER 34 Ca 0.11 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1r6r n SER 34 Cb 0.35 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1r6r n SER 34 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1r6r n LEU 35 N 0.40 0.41 0.00 1.04 4.77 -1.26 -5.10 117.00 117.26 1r6r n LEU 35 Ca 0.13 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1r6r n LEU 35 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1r6r n LEU 35 CO 0.14 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1r6r n GLY 36 N 0.42 -0.67 4.56 -0.72 0.00 -1.24 -5.02 105.19 102.51 1r6r n GLY 36 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1r6r n GLY 36 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1r6r n MET 37 N 0.00 0.00 0.28 1.61 1.56 -1.26 -4.60 117.12 114.70 1r6r n MET 37 Ca 0.00 0.00 0.18 0.00 -0.27 0.00 0.00 57.70 57.61 1r6r n MET 37 Cb 0.00 -0.13 0.87 0.00 2.15 0.00 0.00 33.22 36.12 1r6r n MET 37 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 1r6r h LEU 38 N 0.00 0.00 0.00 -0.89 -0.00 -1.95 -1.33 115.31 111.14 1r6r h LEU 38 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1r6r h LEU 38 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1r6r h LEU 38 CO 0.00 0.00 -1.43 0.00 -0.00 0.00 0.00 178.44 177.01 1r6r n GLN 39 N -3.20 0.64 0.00 0.17 6.02 -1.26 -4.99 117.38 114.75 1r6r n GLN 39 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1r6r n GLN 39 Cb 0.36 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.41 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r6r n GLY 40 N 2.07 0.63 7.00 1.08 0.00 -0.50 -5.07 105.19 110.40 1r6r n GLY 40 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1r6r n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1r6r n ARG 41 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.49 116.66 115.52 1r6r n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1r6r n ARG 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1r6r n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r6r n GLY 42 N 0.00 -0.91 0.10 5.14 0.00 -1.26 -4.89 105.19 103.37 1r6r n GLY 42 Ca 0.00 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 1r6r n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r6r n PRO 43 N -1.78 0.54 -2.66 1.61 -0.04 -1.26 -4.97 135.00 126.44 1r6r n PRO 43 Ca 0.00 0.56 -0.21 0.00 -0.04 0.00 0.00 63.50 63.81 1r6r n PRO 43 Cb 0.00 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 31.74 1r6r n PRO 43 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r6r n LEU 44 N -4.47 -2.08 -0.05 1.53 0.00 -1.26 -4.83 117.00 105.83 1r6r n LEU 44 Ca -0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 56.01 55.59 1r6r n LEU 44 Cb 0.59 -2.83 -0.08 0.00 0.00 0.00 0.00 43.42 41.11 1r6r n LEU 44 CO 0.16 -0.04 -0.83 0.29 0.00 0.00 0.00 177.39 176.98 1r6r n LYS 45 N -3.37 2.34 -0.16 1.96 5.02 -1.26 -4.42 118.16 118.28 1r6r n LYS 45 Ca -0.18 -0.00 0.26 0.00 -2.02 0.00 0.00 58.31 56.36 1r6r n LYS 45 Cb 0.65 -1.26 0.69 0.00 -0.02 0.00 0.00 35.03 35.09 1r6r n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1r6r h LEU 46 N 0.00 0.06 0.19 -0.35 4.07 -1.98 0.72 115.31 118.02 1r6r h LEU 46 Ca -0.27 0.01 -0.25 0.00 0.08 0.00 0.00 57.88 57.44 1r6r h LEU 46 Cb 1.61 -0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.38 1r6r h LEU 46 CO 0.01 0.02 -1.11 0.15 -1.08 0.00 0.00 178.44 176.44 1r6r h PHE 47 N 0.06 0.73 -0.25 1.13 3.57 -1.99 -2.62 116.94 117.58 1r6r h PHE 47 Ca 0.40 -0.53 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 1r6r h PHE 47 Cb 1.50 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 1r6r h PHE 47 CO -0.00 1.43 -0.23 1.98 -2.23 0.00 0.00 178.31 179.25 1r6r h MET 48 N -0.15 0.59 -0.22 1.11 4.05 -1.31 -2.47 114.93 116.54 1r6r h MET 48 Ca -0.20 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 1r6r h MET 48 Cb 1.87 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.67 1r6r h MET 48 CO 0.20 0.90 0.11 0.00 0.23 0.00 0.00 176.91 178.35 1r6r h ALA 49 N 0.68 0.28 0.52 0.39 0.00 0.25 0.48 119.26 121.87 1r6r h ALA 49 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1r6r h ALA 49 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1r6r h ALA 49 CO 0.06 -0.16 -0.28 1.25 0.00 0.00 0.00 179.25 180.12 1r6r h LEU 50 N 0.23 -0.67 -1.47 0.00 5.85 -1.48 0.12 115.31 117.89 1r6r h LEU 50 Ca 0.08 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1r6r h LEU 50 Cb 0.11 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1r6r h LEU 50 CO -0.01 -0.46 -0.06 0.58 -0.34 0.00 0.00 178.44 178.15 1r6r h VAL 51 N -0.74 1.15 0.13 1.05 2.07 -1.40 -2.59 116.25 115.92 1r6r h VAL 51 Ca -0.07 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1r6r h VAL 51 Cb 0.58 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1r6r h VAL 51 CO 0.10 0.20 -0.06 0.00 0.02 0.00 0.00 177.57 177.83 1r6r h ALA 52 N 1.68 -0.17 -0.30 1.67 0.00 0.47 0.44 119.26 123.05 1r6r h ALA 52 Ca 0.06 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1r6r h ALA 52 Cb 0.28 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1r6r h ALA 52 CO 0.01 -0.48 -0.34 0.35 0.00 0.00 0.00 179.25 178.79 1r6r h PHE 53 N -0.40 -0.96 -0.55 0.00 3.57 -0.48 0.60 116.94 118.72 1r6r h PHE 53 Ca -0.02 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1r6r h PHE 53 Cb 0.33 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1r6r h PHE 53 CO 0.00 -0.40 0.33 -0.07 -2.23 0.00 0.00 178.31 175.95 1r6r h LEU 54 N -0.32 0.65 0.00 0.59 -0.00 -1.37 0.16 115.31 115.01 1r6r h LEU 54 Ca 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1r6r h LEU 54 Cb 0.55 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1r6r h LEU 54 CO -0.48 0.50 0.00 -1.14 -0.00 0.00 0.00 178.44 177.32 1r6r n ARG 55 N -4.43 0.38 -0.04 1.13 0.00 0.15 0.13 116.66 113.98 1r6r n ARG 55 Ca 0.05 0.07 0.03 0.00 -0.00 0.00 0.00 57.85 57.99 1r6r n ARG 55 Cb 0.07 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 30.87 1r6r n ARG 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1r6r n PHE 56 N -1.23 0.00 -0.11 -0.14 3.72 0.16 -4.36 117.46 115.49 1r6r n PHE 56 Ca 0.11 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.31 1r6r n PHE 56 Cb 0.15 -0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 37.95 1r6r n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1r6r n LEU 57 N -2.41 2.25 0.00 4.37 4.77 -0.97 -4.88 117.00 120.13 1r6r n LEU 57 Ca -0.14 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1r6r n LEU 57 Cb 0.76 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1r6r n LEU 57 CO 0.42 0.66 0.00 0.41 -1.33 0.00 0.00 177.39 177.55 1r6r n THR 58 N -3.61 0.00 -3.65 -5.08 -1.04 -0.88 -5.05 114.28 94.97 1r6r n THR 58 Ca -0.42 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.33 1r6r n THR 58 Cb 0.86 1.16 0.04 0.00 -1.82 0.00 0.00 70.33 70.56 1r6r n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1r6r n ILE 59 N 0.00 -5.72 -3.05 12.58 -0.00 0.34 -4.92 119.36 118.60 1r6r n ILE 59 Ca 0.00 -0.86 -0.40 0.00 -0.00 0.00 0.00 62.75 61.50 1r6r n ILE 59 Cb 0.07 -4.35 -0.01 0.00 -0.00 0.00 0.00 39.64 35.35 1r6r n ILE 59 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1r6r n PRO 60 N -4.09 4.18 -2.06 0.38 -0.04 -1.25 -4.93 135.00 127.18 1r6r n PRO 60 Ca -0.16 -4.60 -0.42 0.00 -0.04 0.00 0.00 63.50 58.28 1r6r n PRO 60 Cb 0.63 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 1r6r n PRO 60 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1r6r s PRO 61 N -2.89 4.24 1.11 0.54 0.04 -1.26 -4.98 135.00 131.80 1r6r s PRO 61 Ca 0.34 2.16 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 1r6r s PRO 61 Cb 0.08 -3.58 0.23 0.00 0.04 0.00 0.00 34.50 31.27 1r6r s PRO 61 CO 0.06 -0.66 0.90 2.41 0.04 0.00 0.00 177.00 179.75 1r6r n THR 62 N 4.70 0.00 -0.22 1.26 -1.04 -1.26 -4.84 114.28 112.87 1r6r n THR 62 Ca 0.15 -0.33 -0.01 0.00 -2.04 0.00 0.00 64.05 61.82 1r6r n THR 62 Cb 0.42 -0.94 0.11 0.00 -1.82 0.00 0.00 70.33 68.10 1r6r n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r6r h ALA 63 N -2.42 0.86 -0.60 2.41 0.00 -0.27 -2.42 119.26 116.81 1r6r h ALA 63 Ca -0.56 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.43 1r6r h ALA 63 Cb 1.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1r6r h ALA 63 CO 0.46 -0.06 0.35 0.78 0.00 0.00 0.00 179.25 180.77 1r6r h GLY 64 N 0.56 0.86 -0.04 0.00 0.00 -1.85 -1.70 103.07 100.90 1r6r h GLY 64 Ca 0.31 -0.26 0.28 0.00 0.00 0.00 0.00 47.33 47.66 1r6r h GLY 64 CO -0.24 0.20 0.71 -2.22 0.00 0.00 0.00 176.54 174.99 1r6r h ILE 65 N 0.68 0.52 0.00 2.60 1.08 -1.76 0.59 117.51 121.21 1r6r h ILE 65 Ca 0.25 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.62 1r6r h ILE 65 Cb 0.08 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 1r6r h ILE 65 CO -0.13 0.03 -0.38 -0.07 -0.69 0.00 0.00 178.15 176.91 1r6r h LEU 66 N 0.14 0.00 -2.01 1.44 -0.00 -1.36 -1.80 115.31 111.72 1r6r h LEU 66 Ca 0.51 -0.46 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 1r6r h LEU 66 Cb 1.77 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.42 1r6r h LEU 66 CO -0.10 0.95 0.07 0.11 -0.00 0.00 0.00 178.44 179.48 1r6r h LYS 67 N -1.00 0.00 0.00 1.13 1.79 -0.79 -1.35 116.57 116.35 1r6r h LYS 67 Ca -0.08 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.14 1r6r h LYS 67 Cb 0.74 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 1r6r h LYS 67 CO -0.05 0.00 -1.35 0.07 -1.08 0.00 0.00 179.45 177.04 1r6r h ARG 68 N 0.00 0.00 -1.07 3.15 0.11 0.05 -3.34 114.38 113.28 1r6r h ARG 68 Ca 0.05 -0.00 0.29 0.00 0.10 0.00 0.00 59.98 60.42 1r6r h ARG 68 Cb 0.20 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.21 1r6r h ARG 68 CO -0.00 0.75 0.73 2.35 0.10 0.00 0.00 179.97 183.90 1r6r h TRP 69 N 0.00 0.30 -1.33 4.08 -0.00 -0.32 -1.52 115.95 117.17 1r6r h TRP 69 Ca -0.15 0.01 -0.64 0.00 -0.00 0.00 0.00 58.89 58.11 1r6r h TRP 69 Cb 1.89 -0.09 -0.36 0.00 -0.00 0.00 0.00 29.16 30.61 1r6r h TRP 69 CO 0.00 0.03 0.05 0.41 -0.00 0.00 0.00 178.44 178.93 1r6r n GLY 70 N -1.62 5.96 0.93 2.65 0.00 -1.23 -4.54 105.19 107.33 1r6r n GLY 70 Ca 0.24 -2.57 -0.03 0.00 0.00 0.00 0.00 46.02 43.66 1r6r n GLY 70 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r6r n THR 71 N -0.65 0.00 0.00 2.61 5.66 -0.57 -5.11 114.28 116.22 1r6r n THR 71 Ca 0.49 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1r6r n THR 71 Cb 0.63 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 1r6r n THR 71 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1r6r n ILE 72 N -0.10 0.00 -0.02 1.09 -5.35 -1.22 -5.02 119.36 108.74 1r6r n ILE 72 Ca -0.14 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.32 1r6r n ILE 72 Cb 0.51 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 1r6r n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1r6r n LYS 73 N 0.00 2.25 0.00 6.28 3.00 -1.26 -5.00 118.16 123.43 1r6r n LYS 73 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1r6r n LYS 73 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 35.03 33.94 1r6r n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1r6r n LYS 74 N -2.31 0.00 -0.18 1.64 4.76 -1.26 -4.50 118.16 116.31 1r6r n LYS 74 Ca -0.07 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.31 1r6r n LYS 74 Cb 0.61 -0.04 0.03 0.00 -1.84 0.00 0.00 35.03 33.79 1r6r n LYS 74 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1r6r h SER 75 N 0.00 0.58 -0.07 4.39 4.64 -1.98 0.54 113.55 121.66 1r6r h SER 75 Ca 0.00 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.10 1r6r h SER 75 Cb 0.00 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1r6r h SER 75 CO 0.00 0.42 -0.77 0.50 -0.87 0.00 0.00 176.83 176.11 1r6r h LYS 76 N 0.70 0.64 0.30 4.77 1.63 -1.98 -1.88 116.57 120.75 1r6r h LYS 76 Ca 0.20 -0.60 -0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1r6r h LYS 76 Cb -0.05 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1r6r h LYS 76 CO -0.06 1.21 -0.15 0.00 -3.45 0.00 0.00 179.45 177.00 1r6r h ALA 77 N 0.44 -0.41 -0.69 5.00 0.00 -1.80 0.33 119.26 122.14 1r6r h ALA 77 Ca -0.08 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1r6r h ALA 77 Cb 1.42 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1r6r h ALA 77 CO 0.15 -0.66 0.44 0.82 0.00 0.00 0.00 179.25 180.01 1r6r h ILE 78 N -0.54 1.14 -0.63 0.00 2.04 -0.01 0.30 117.51 119.82 1r6r h ILE 78 Ca -0.04 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1r6r h ILE 78 Cb 0.40 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1r6r h ILE 78 CO 0.07 0.16 0.17 0.78 0.00 0.00 0.00 178.15 179.33 1r6r h ASN 79 N 0.89 0.91 0.13 1.72 2.35 -1.19 -1.37 115.58 119.02 1r6r h ASN 79 Ca 0.26 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1r6r h ASN 79 Cb -0.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1r6r h ASN 79 CO -0.07 0.87 -0.06 0.58 -1.65 0.00 0.00 177.43 177.10 1r6r h VAL 80 N 0.93 0.89 -0.86 2.81 2.07 0.73 0.26 116.25 123.09 1r6r h VAL 80 Ca 0.20 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1r6r h VAL 80 Cb 0.31 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1r6r h VAL 80 CO -0.00 0.01 0.56 -0.07 0.02 0.00 0.00 177.57 178.08 1r6r h LEU 81 N -0.18 0.85 -0.42 2.57 4.07 -0.68 0.17 115.31 121.68 1r6r h LEU 81 Ca -0.02 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 1r6r h LEU 81 Cb 0.14 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1r6r h LEU 81 CO 0.03 0.55 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.66 1r6r h ARG 82 N 0.96 0.87 -0.53 1.13 9.65 -0.66 -1.79 114.38 124.01 1r6r h ARG 82 Ca 0.37 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1r6r h ARG 82 Cb 0.20 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1r6r h ARG 82 CO -0.13 1.01 0.24 0.78 2.80 0.00 0.00 179.97 184.67 1r6r h GLY 83 N 0.69 0.79 1.41 2.80 0.00 0.94 -0.88 103.07 108.82 1r6r h GLY 83 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1r6r h GLY 83 CO 0.06 0.35 -0.06 0.74 0.00 0.00 0.00 176.54 177.63 1r6r h PHE 84 N 0.74 0.77 -0.83 5.60 0.04 -0.32 0.14 116.94 123.08 1r6r h PHE 84 Ca 0.18 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1r6r h PHE 84 Cb 0.10 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 1r6r h PHE 84 CO 0.01 0.75 0.55 -0.09 -0.60 0.00 0.00 178.31 178.93 1r6r h ARG 85 N 0.66 1.10 -0.01 1.51 1.12 -0.32 0.38 114.38 118.83 1r6r h ARG 85 Ca 0.12 -0.07 -0.16 0.00 -1.11 0.00 0.00 59.98 58.76 1r6r h ARG 85 Cb 0.50 -0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 1r6r h ARG 85 CO 0.03 0.73 -0.76 -0.22 -3.11 0.00 0.00 179.97 176.64 1r6r h LYS 86 N 1.13 0.06 -0.23 0.20 1.63 -0.91 -2.30 116.57 116.15 1r6r h LYS 86 Ca 0.31 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.92 1r6r h LYS 86 Cb -0.13 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 1r6r h LYS 86 CO -0.07 0.79 -0.39 0.93 -3.45 0.00 0.00 179.45 177.26 1r6r h GLU 87 N 0.04 0.53 -0.26 1.90 4.39 0.39 -1.82 114.58 119.74 1r6r h GLU 87 Ca -0.01 -0.26 -0.15 0.00 0.34 0.00 0.00 59.36 59.27 1r6r h GLU 87 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1r6r h GLU 87 CO 0.10 0.84 -0.43 0.97 -1.16 0.00 0.00 179.01 179.33 1r6r h ILE 88 N 0.44 1.30 -0.37 3.13 2.10 -0.19 -1.72 117.51 122.20 1r6r h ILE 88 Ca 0.04 -1.62 0.02 0.00 1.08 0.00 0.00 64.86 64.38 1r6r h ILE 88 Cb 0.88 1.69 -0.02 0.00 -1.09 0.00 0.00 36.82 38.28 1r6r h ILE 88 CO 0.08 0.52 0.24 1.23 -1.08 0.00 0.00 178.15 179.14 1r6r h GLY 89 N 0.49 0.46 1.41 8.18 0.00 -1.25 0.16 103.07 112.53 1r6r h GLY 89 Ca 0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1r6r h GLY 89 CO 0.10 0.15 -0.49 3.21 0.00 0.00 0.00 176.54 179.51 1r6r h ARG 90 N 0.42 0.63 -0.76 4.80 3.08 -0.98 -2.20 114.38 119.37 1r6r h ARG 90 Ca 0.14 -0.36 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1r6r h ARG 90 Cb 0.06 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1r6r h ARG 90 CO -0.03 0.97 0.50 1.98 -1.07 0.00 0.00 179.97 182.32 1r6r h MET 91 N 0.50 0.87 -0.47 0.04 4.05 -0.06 0.76 114.93 120.61 1r6r h MET 91 Ca 0.02 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.29 1r6r h MET 91 Cb 1.03 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 1r6r h MET 91 CO 0.10 0.58 -0.11 -0.07 0.23 0.00 0.00 176.91 177.63 1r6r h LEU 92 N 0.90 0.91 -2.01 3.39 3.38 -1.11 -0.32 115.31 120.45 1r6r h LEU 92 Ca 0.31 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1r6r h LEU 92 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1r6r h LEU 92 CO -0.10 1.06 0.41 -1.13 0.09 0.00 0.00 178.44 178.77 1r6r h ASN 93 N 0.75 0.00 0.21 -0.43 -0.00 -0.26 0.47 115.58 116.32 1r6r h ASN 93 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 56.07 1r6r h ASN 93 Cb 0.66 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.00 1r6r h ASN 93 CO 0.05 0.00 -1.66 0.40 -0.00 0.00 0.00 177.43 176.22 1r6r h ILE 94 N 0.00 1.06 -0.51 2.57 2.04 -0.23 -3.29 117.51 119.14 1r6r h ILE 94 Ca 0.18 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1r6r h ILE 94 Cb 0.99 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1r6r h ILE 94 CO -0.00 0.84 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1r6r n LEU 95 N -3.64 3.79 -0.02 1.44 -0.00 0.48 -3.98 117.00 115.07 1r6r n LEU 95 Ca -0.22 -1.91 0.00 0.00 -0.00 0.00 0.00 56.01 53.88 1r6r n LEU 95 Cb 1.09 -0.50 -0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1r6r n LEU 95 CO 0.55 0.66 0.11 0.59 -0.00 0.00 0.00 177.39 179.30 1r6r n ASN 96 N 0.86 0.47 -1.84 1.45 3.02 0.14 -4.62 115.26 114.73 1r6r n ASN 96 Ca 0.20 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.94 1r6r n ASN 96 Cb 0.71 0.59 0.24 0.00 -0.61 0.00 0.00 39.78 40.70 1r6r n ASN 96 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1r6r n ARG 97 N -0.58 3.06 -0.09 3.52 0.63 -1.24 -4.26 116.66 117.71 1r6r n ARG 97 Ca 0.00 -2.53 0.11 0.00 -0.92 0.00 0.00 57.85 54.51 1r6r n ARG 97 Cb 0.02 -2.05 0.36 0.00 0.45 0.00 0.00 32.46 31.24 1r6r n ARG 97 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1r6r n ARG 98 N -0.21 1.79 0.00 -0.14 1.85 -1.26 -4.96 116.66 113.74 1r6r n ARG 98 Ca 0.37 -1.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.03 1r6r n ARG 98 Cb 1.27 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.27 1r6r n ARG 98 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1r6r n ARG 99 N 0.42 0.00 0.00 2.89 0.00 -1.26 -5.24 116.66 113.47 1r6r n ARG 99 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1r6r n ARG 99 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.82 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52