#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm1 n GLY 5 N 0.00 3.98 3.85 0.55 0.00 -1.26 -5.17 105.19 107.13 1rm1 n GLY 5 Ca 0.00 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1rm1 n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rm1 s TYR 6 N -1.96 3.01 0.68 1.61 1.51 -1.26 -5.09 117.35 115.84 1rm1 s TYR 6 Ca 0.02 -0.21 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 1rm1 s TYR 6 Cb 0.00 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1rm1 s TYR 6 CO 0.02 0.32 1.24 0.71 -1.11 0.00 0.00 175.55 176.73 1rm1 s TYR 7 N -2.22 2.12 -1.86 2.71 2.02 -1.26 -4.94 117.35 113.92 1rm1 s TYR 7 Ca 0.38 1.54 0.17 0.00 -0.37 0.00 0.00 57.07 58.79 1rm1 s TYR 7 Cb -0.07 -3.55 0.27 0.00 -0.40 0.00 0.00 41.96 38.21 1rm1 s TYR 7 CO 0.26 -2.64 1.19 0.39 -1.57 0.00 0.00 175.55 173.17 1rm1 n GLU 8 N -2.22 1.96 -0.03 -0.62 1.02 -1.26 -4.58 120.64 114.91 1rm1 n GLU 8 Ca 0.14 -1.86 0.11 0.00 -0.02 0.00 0.00 57.16 55.53 1rm1 n GLU 8 Cb 0.49 -1.36 0.52 0.00 -0.02 0.00 0.00 31.44 31.06 1rm1 n GLU 8 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1rm1 h LEU 9 N 3.27 0.32 -0.53 -4.62 -0.00 -2.00 -1.79 115.31 109.97 1rm1 h LEU 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1rm1 h LEU 9 Cb 0.77 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1rm1 h LEU 9 CO 0.00 0.20 0.00 -1.22 -0.00 0.00 0.00 178.44 177.42 1rm1 n TYR 10 N -4.47 0.36 0.46 0.17 4.02 -1.26 -1.32 117.16 115.11 1rm1 n TYR 10 Ca 0.07 0.17 0.13 0.00 -0.01 0.00 0.00 57.90 58.25 1rm1 n TYR 10 Cb 0.30 -0.77 0.47 0.00 -0.02 0.00 0.00 39.34 39.33 1rm1 n TYR 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rm1 h ARG 11 N 0.00 0.00 -0.01 -0.72 3.08 -1.66 -2.36 114.38 112.71 1rm1 h ARG 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rm1 h ARG 11 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1rm1 h ARG 11 CO 0.00 0.00 -0.14 0.54 -1.07 0.00 0.00 179.97 179.30 1rm1 n ARG 12 N -2.30 1.03 -1.89 0.04 1.74 -0.44 -2.70 116.66 112.14 1rm1 n ARG 12 Ca 0.03 -0.54 -0.29 0.00 -0.77 0.00 0.00 57.85 56.28 1rm1 n ARG 12 Cb 0.30 -1.49 0.11 0.00 -1.02 0.00 0.00 32.46 30.36 1rm1 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rm1 s SER 13 N -2.34 4.20 0.15 0.55 1.04 -0.89 -4.78 113.70 111.64 1rm1 s SER 13 Ca 0.30 0.69 -0.17 0.00 0.48 0.00 0.00 55.95 57.25 1rm1 s SER 13 Cb 0.20 -1.10 0.03 0.00 0.10 0.00 0.00 66.02 65.25 1rm1 s SER 13 CO 0.45 -2.09 1.77 0.74 0.98 0.00 0.00 173.24 175.10 1rm1 h THR 14 N -1.19 0.98 -0.15 2.02 2.02 -1.91 0.12 112.91 114.81 1rm1 h THR 14 Ca -0.46 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 1rm1 h THR 14 Cb 1.31 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1rm1 h THR 14 CO 0.61 0.06 -0.52 -0.29 0.37 0.00 0.00 175.52 175.75 1rm1 h ILE 15 N 0.35 1.34 -0.08 3.11 2.10 -1.94 -2.24 117.51 120.14 1rm1 h ILE 15 Ca 0.15 -1.77 -0.19 0.00 1.08 0.00 0.00 64.86 64.13 1rm1 h ILE 15 Cb 0.06 1.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1rm1 h ILE 15 CO -0.10 0.54 -0.73 1.23 -1.08 0.00 0.00 178.15 178.01 1rm1 h GLY 16 N 1.21 0.47 1.59 8.18 0.00 -1.65 -2.42 103.07 110.45 1rm1 h GLY 16 Ca 0.01 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 1rm1 h GLY 16 CO 0.09 0.60 -0.54 -0.57 0.00 0.00 0.00 176.54 176.12 1rm1 h ASN 17 N 0.29 0.48 -0.09 0.19 -0.73 -0.54 -2.25 115.58 112.93 1rm1 h ASN 17 Ca -0.03 -0.25 -0.10 0.00 1.87 0.00 0.00 56.30 57.78 1rm1 h ASN 17 Cb 1.31 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.75 1rm1 h ASN 17 CO 0.13 0.93 -0.26 0.28 -0.37 0.00 0.00 177.43 178.13 1rm1 h SER 18 N 0.34 0.55 -0.51 1.15 0.02 -1.33 -1.64 113.55 112.13 1rm1 h SER 18 Ca 0.01 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1rm1 h SER 18 Cb 1.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1rm1 h SER 18 CO 0.09 0.80 -0.02 0.25 -1.14 0.00 0.00 176.83 176.82 1rm1 h LEU 19 N 0.48 0.90 -0.89 5.07 6.46 -1.27 -0.95 115.31 125.11 1rm1 h LEU 19 Ca 0.07 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1rm1 h LEU 19 Cb 0.71 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 1rm1 h LEU 19 CO 0.05 1.00 0.44 0.58 -0.62 0.00 0.00 178.44 179.89 1rm1 h VAL 20 N 0.78 1.26 0.40 1.05 2.07 -1.06 0.14 116.25 120.88 1rm1 h VAL 20 Ca 0.14 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1rm1 h VAL 20 Cb 0.55 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1rm1 h VAL 20 CO 0.03 0.31 -0.19 0.44 0.02 0.00 0.00 177.57 178.17 1rm1 h ASP 21 N 1.23 -0.45 -0.70 0.57 3.45 -0.94 -0.44 116.42 119.15 1rm1 h ASP 21 Ca 0.30 -0.04 0.05 0.00 0.43 0.00 0.00 57.03 57.78 1rm1 h ASP 21 Cb 0.08 0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.91 1rm1 h ASP 21 CO -0.04 -0.25 0.41 0.00 -1.57 0.00 0.00 179.24 177.78 1rm1 h ALA 22 N -0.05 0.94 -0.58 3.45 0.00 -0.95 -1.91 119.26 120.16 1rm1 h ALA 22 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1rm1 h ALA 22 Cb 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1rm1 h ALA 22 CO 0.09 0.11 0.21 -0.07 0.00 0.00 0.00 179.25 179.59 1rm1 h LEU 23 N 0.76 0.77 -0.63 0.00 4.07 -0.56 -2.83 115.31 116.89 1rm1 h LEU 23 Ca 0.31 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 58.01 1rm1 h LEU 23 Cb 0.15 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1rm1 h LEU 23 CO -0.17 0.71 -0.59 0.44 -1.08 0.00 0.00 178.44 177.75 1rm1 h ASP 24 N 0.83 0.34 -0.12 -0.43 3.32 -0.32 -2.44 116.42 117.61 1rm1 h ASP 24 Ca 0.19 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1rm1 h ASP 24 Cb 0.19 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1rm1 h ASP 24 CO -0.02 0.85 -0.33 0.71 -1.72 0.00 0.00 179.24 178.74 1rm1 h THR 25 N 0.23 1.29 -0.04 0.35 1.35 -1.18 -0.59 112.91 114.32 1rm1 h THR 25 Ca -0.00 -1.45 -0.12 0.00 -0.55 0.00 0.00 66.41 64.28 1rm1 h THR 25 Cb 1.10 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1rm1 h THR 25 CO 0.10 0.47 -0.54 -0.07 -0.25 0.00 0.00 175.52 175.22 1rm1 h LEU 26 N 0.52 0.12 -0.18 3.87 3.38 -1.41 -1.34 115.31 120.27 1rm1 h LEU 26 Ca 0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1rm1 h LEU 26 Cb 0.82 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1rm1 h LEU 26 CO 0.07 0.64 -0.21 0.40 0.09 0.00 0.00 178.44 179.43 1rm1 h ILE 27 N 0.09 1.34 0.00 1.22 2.04 -1.07 0.32 117.51 121.44 1rm1 h ILE 27 Ca -0.00 -1.40 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 1rm1 h ILE 27 Cb 0.99 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1rm1 h ILE 27 CO 0.08 0.42 -0.25 0.77 0.00 0.00 0.00 178.15 179.17 1rm1 h SER 28 N 0.11 0.00 0.80 1.72 4.64 -1.02 -0.87 113.55 118.92 1rm1 h SER 28 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rm1 h SER 28 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1rm1 h SER 28 CO 0.05 0.25 -0.13 0.47 -0.87 0.00 0.00 176.83 176.60 1rm1 n ASP 29 N -3.79 0.16 -0.77 4.97 9.92 -0.51 -4.91 116.55 121.62 1rm1 n ASP 29 Ca -0.01 0.19 -0.08 0.00 -0.53 0.00 0.00 54.79 54.36 1rm1 n ASP 29 Cb 0.35 -0.27 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 1rm1 n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rm1 n GLY 30 N 1.47 0.39 0.11 0.44 0.00 -0.33 -4.92 105.19 102.35 1rm1 n GLY 30 Ca 0.08 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1rm1 n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rm1 h ARG 31 N 0.00 0.00 -3.66 1.61 3.08 -0.59 -3.47 114.38 111.34 1rm1 h ARG 31 Ca -0.17 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1rm1 h ARG 31 Cb 0.90 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.83 1rm1 h ARG 31 CO 0.22 0.00 -0.21 0.96 -1.07 0.00 0.00 179.97 179.87 1rm1 s ILE 32 N -3.23 0.07 0.29 2.04 -4.36 -1.18 -5.01 121.20 109.80 1rm1 s ILE 32 Ca 0.05 -1.11 -0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1rm1 s ILE 32 Cb 0.10 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 42.13 1rm1 s ILE 32 CO 0.72 -0.30 0.56 -1.61 0.24 0.00 0.00 174.94 174.55 1rm1 s GLU 33 N -3.91 3.65 0.37 0.37 0.41 -1.26 -4.50 118.70 113.83 1rm1 s GLU 33 Ca 0.12 0.05 0.06 0.00 -0.41 0.00 0.00 54.97 54.79 1rm1 s GLU 33 Cb 0.02 -2.64 0.76 0.00 -1.78 0.00 0.00 34.13 30.49 1rm1 s GLU 33 CO -0.04 0.21 1.97 0.00 -0.49 0.00 0.00 175.26 176.92 1rm1 h ALA 34 N 1.75 1.71 -0.95 5.21 0.00 -1.98 -1.23 119.26 123.78 1rm1 h ALA 34 Ca -0.48 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1rm1 h ALA 34 Cb 1.19 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1rm1 h ALA 34 CO 0.66 0.18 0.62 0.66 0.00 0.00 0.00 179.25 181.38 1rm1 h SER 35 N 0.73 1.05 -0.32 0.00 4.64 -1.99 0.39 113.55 118.05 1rm1 h SER 35 Ca 0.30 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 1rm1 h SER 35 Cb 0.24 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1rm1 h SER 35 CO -0.10 0.73 -0.13 0.25 -0.87 0.00 0.00 176.83 176.71 1rm1 h LEU 36 N 1.22 0.75 -0.41 5.97 5.85 -1.63 -1.41 115.31 125.65 1rm1 h LEU 36 Ca 0.37 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1rm1 h LEU 36 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1rm1 h LEU 36 CO -0.11 0.90 0.19 0.00 -0.34 0.00 0.00 178.44 179.08 1rm1 h ALA 37 N 1.17 0.53 -0.73 1.25 0.00 -0.73 -1.57 119.26 119.17 1rm1 h ALA 37 Ca 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1rm1 h ALA 37 Cb 0.61 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1rm1 h ALA 37 CO 0.04 0.09 0.32 0.52 0.00 0.00 0.00 179.25 180.23 1rm1 h MET 38 N 0.52 1.06 -0.19 0.00 2.86 -0.70 -1.56 114.93 116.92 1rm1 h MET 38 Ca 0.14 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1rm1 h MET 38 Cb 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1rm1 h MET 38 CO -0.02 0.84 -0.24 -0.09 1.06 0.00 0.00 176.91 178.47 1rm1 h ARG 39 N 1.05 0.35 -0.40 1.72 1.12 -0.95 -1.57 114.38 115.69 1rm1 h ARG 39 Ca 0.25 -0.12 -0.14 0.00 -1.11 0.00 0.00 59.98 58.86 1rm1 h ARG 39 Cb 0.15 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1rm1 h ARG 39 CO -0.03 0.57 -0.31 0.28 -3.11 0.00 0.00 179.97 177.38 1rm1 h VAL 40 N 0.31 1.27 -0.68 0.20 2.07 -0.61 -2.29 116.25 116.54 1rm1 h VAL 40 Ca 0.05 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1rm1 h VAL 40 Cb 0.59 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1rm1 h VAL 40 CO 0.04 0.50 0.30 -0.07 0.02 0.00 0.00 177.57 178.36 1rm1 h LEU 41 N 0.74 0.88 -0.76 2.57 4.07 -0.90 0.35 115.31 122.26 1rm1 h LEU 41 Ca 0.08 -0.10 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 1rm1 h LEU 41 Cb 0.89 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1rm1 h LEU 41 CO 0.08 0.76 -0.55 -0.33 -1.08 0.00 0.00 178.44 177.32 1rm1 h GLU 42 N 0.96 0.00 0.02 1.13 5.08 -1.16 -1.54 114.58 119.07 1rm1 h GLU 42 Ca 0.23 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.33 1rm1 h GLU 42 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1rm1 h GLU 42 CO -0.03 0.55 -1.05 1.15 -1.00 0.00 0.00 179.01 178.64 1rm1 h THR 43 N 0.00 1.32 -0.45 1.13 2.02 -0.99 -3.19 112.91 112.75 1rm1 h THR 43 Ca -0.01 -2.34 0.06 0.00 0.77 0.00 0.00 66.41 64.89 1rm1 h THR 43 Cb 1.07 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 69.87 1rm1 h THR 43 CO 0.07 0.72 0.15 0.15 0.37 0.00 0.00 175.52 176.98 1rm1 h PHE 44 N 0.33 0.26 -0.78 3.16 3.57 -0.65 -0.20 116.94 122.65 1rm1 h PHE 44 Ca -0.12 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.52 1rm1 h PHE 44 Cb 1.70 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 40.30 1rm1 h PHE 44 CO 0.09 0.08 0.38 -0.44 -2.23 0.00 0.00 178.31 176.19 1rm1 h ASP 45 N 0.31 0.45 0.24 0.41 3.32 -1.28 0.48 116.42 120.36 1rm1 h ASP 45 Ca 0.21 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1rm1 h ASP 45 Cb 0.22 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1rm1 h ASP 45 CO -0.23 0.22 -0.12 0.50 -1.72 0.00 0.00 179.24 177.89 1rm1 h LYS 46 N 0.58 -0.31 -0.89 3.56 3.64 -1.35 -2.83 116.57 118.96 1rm1 h LYS 46 Ca 0.41 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.89 1rm1 h LYS 46 Cb 0.53 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1rm1 h LYS 46 CO -0.33 0.02 0.58 0.28 -2.27 0.00 0.00 179.45 177.73 1rm1 h VAL 47 N -0.69 1.00 -0.37 2.00 2.07 -0.54 -1.27 116.25 118.46 1rm1 h VAL 47 Ca -0.03 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1rm1 h VAL 47 Cb 0.48 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1rm1 h VAL 47 CO 0.05 0.17 -0.07 0.58 0.02 0.00 0.00 177.57 178.33 1rm1 h VAL 48 N 0.94 1.27 -0.73 2.57 2.07 -0.95 0.10 116.25 121.52 1rm1 h VAL 48 Ca 0.40 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1rm1 h VAL 48 Cb 0.33 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1rm1 h VAL 48 CO -0.17 0.37 0.41 0.00 0.02 0.00 0.00 177.57 178.20 1rm1 h ALA 49 N 0.84 1.33 0.15 1.67 0.00 -1.12 -0.43 119.26 121.70 1rm1 h ALA 49 Ca 0.10 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1rm1 h ALA 49 Cb 0.57 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1rm1 h ALA 49 CO 0.03 0.55 -1.29 0.93 0.00 0.00 0.00 179.25 179.47 1rm1 h GLU 50 N 1.02 0.42 -0.45 0.00 5.08 -1.10 -2.83 114.58 116.72 1rm1 h GLU 50 Ca 0.26 -0.66 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 1rm1 h GLU 50 Cb 0.02 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1rm1 h GLU 50 CO -0.04 1.30 -0.27 1.15 -1.00 0.00 0.00 179.01 180.15 1rm1 h THR 51 N 0.14 1.27 0.00 1.13 2.02 -0.58 -0.95 112.91 115.94 1rm1 h THR 51 Ca -0.17 -1.44 -0.07 0.00 0.77 0.00 0.00 66.41 65.49 1rm1 h THR 51 Cb 1.99 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1rm1 h THR 51 CO 0.23 0.49 -0.35 -0.07 0.37 0.00 0.00 175.52 176.19 1rm1 h LEU 52 N 0.82 0.00 0.13 2.58 3.38 -1.17 0.10 115.31 121.16 1rm1 h LEU 52 Ca 0.09 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.78 1rm1 h LEU 52 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1rm1 h LEU 52 CO 0.08 0.35 -1.32 0.50 0.09 0.00 0.00 178.44 178.14 1rm1 h LYS 53 N 0.00 0.28 0.00 1.13 3.64 -1.23 -3.33 116.57 117.06 1rm1 h LYS 53 Ca -0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1rm1 h LYS 53 Cb 0.79 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1rm1 h LYS 53 CO 0.05 1.21 -1.03 -0.25 -2.27 0.00 0.00 179.45 177.15 1rm1 n ASP 54 N -3.52 0.88 -0.83 4.20 8.00 -0.39 -4.60 116.55 120.29 1rm1 n ASP 54 Ca -0.11 -0.64 0.05 0.00 0.71 0.00 0.00 54.79 54.81 1rm1 n ASP 54 Cb 1.03 1.21 0.14 0.00 -0.02 0.00 0.00 41.12 43.47 1rm1 n ASP 54 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rm1 n ASN 55 N -1.57 1.47 -4.34 -2.24 4.13 0.02 -5.02 115.26 107.70 1rm1 n ASN 55 Ca 0.01 -3.17 -0.32 0.00 1.68 0.00 0.00 54.58 52.79 1rm1 n ASN 55 Cb 0.30 -0.44 -0.15 0.00 -1.54 0.00 0.00 39.78 37.95 1rm1 n ASN 55 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1rm1 s THR 56 N -2.06 2.46 0.00 3.41 -1.32 -1.25 -4.94 115.64 111.94 1rm1 s THR 56 Ca 0.35 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 1rm1 s THR 56 Cb 0.35 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 1rm1 s THR 56 CO -0.09 0.57 0.00 1.67 -2.21 0.00 0.00 174.62 174.56 1rm1 n GLN 57 N 2.81 0.95 -1.01 7.08 -0.06 -1.26 -4.99 117.38 120.90 1rm1 n GLN 57 Ca -0.17 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.48 1rm1 n GLN 57 Cb 0.52 -0.78 0.10 0.00 -4.06 0.00 0.00 30.24 26.02 1rm1 n GLN 57 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1rm1 n SER 58 N -1.74 -1.75 -3.42 1.69 7.64 -1.26 -5.02 113.62 109.76 1rm1 n SER 58 Ca 0.00 0.44 -0.16 0.00 1.01 0.00 0.00 58.87 60.16 1rm1 n SER 58 Cb 0.28 -1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 62.17 1rm1 n SER 58 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1rm1 s LYS 59 N -3.22 0.28 0.42 1.43 1.02 -1.25 -5.06 119.74 113.36 1rm1 s LYS 59 Ca 0.60 0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.78 1rm1 s LYS 59 Cb -0.27 -0.82 -0.00 0.00 -0.52 0.00 0.00 37.83 36.21 1rm1 s LYS 59 CO 0.63 -0.82 0.48 -0.48 -0.92 0.00 0.00 175.35 174.24 1rm1 s LEU 60 N 2.38 3.53 -0.00 3.17 0.05 -1.26 -4.45 118.68 122.10 1rm1 s LEU 60 Ca 0.09 -0.58 -0.02 0.00 0.05 0.00 0.00 54.13 53.67 1rm1 s LEU 60 Cb -0.15 -2.36 -0.00 0.00 -2.05 0.00 0.00 46.19 41.63 1rm1 s LEU 60 CO -0.22 -0.71 0.03 0.42 -0.55 0.00 0.00 176.35 175.32 1rm1 s THR 61 N -2.41 0.05 -0.09 5.48 -4.23 -0.74 -4.99 115.64 108.70 1rm1 s THR 61 Ca 0.52 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1rm1 s THR 61 Cb -0.07 -0.20 -0.00 0.00 1.34 0.00 0.00 72.50 73.58 1rm1 s THR 61 CO 0.31 -0.24 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.22 1rm1 s VAL 62 N -0.72 2.01 -0.07 2.29 1.01 -1.26 -1.54 120.40 122.13 1rm1 s VAL 62 Ca -0.08 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.91 1rm1 s VAL 62 Cb -0.05 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1rm1 s VAL 62 CO -0.00 0.55 -0.07 -0.54 0.00 0.00 0.00 175.10 175.04 1rm1 s LYS 63 N 0.30 1.23 0.00 2.72 1.02 -0.94 -4.98 119.74 119.09 1rm1 s LYS 63 Ca -0.17 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1rm1 s LYS 63 Cb -0.17 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 1rm1 s LYS 63 CO 0.08 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 1rm1 n GLY 64 N 4.25 -0.70 3.58 -3.33 0.00 -1.26 0.02 105.19 107.75 1rm1 n GLY 64 Ca -0.20 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1rm1 n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rm1 s ASN 65 N -4.00 5.82 -0.42 1.61 -0.87 -0.79 -4.95 114.94 111.33 1rm1 s ASN 65 Ca 0.00 -0.01 -0.28 0.00 -1.57 0.00 0.00 52.86 51.00 1rm1 s ASN 65 Cb 0.00 -2.06 -0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1rm1 s ASN 65 CO 0.00 0.01 1.56 -0.22 -2.57 0.00 0.00 177.10 175.88 1rm1 s LEU 66 N 1.40 3.51 0.01 0.60 0.20 -1.26 -1.07 118.68 122.07 1rm1 s LEU 66 Ca 0.07 0.86 -0.16 0.00 0.69 0.00 0.00 54.13 55.58 1rm1 s LEU 66 Cb -0.15 -3.40 -0.35 0.00 -0.43 0.00 0.00 46.19 41.87 1rm1 s LEU 66 CO 0.07 -1.62 0.94 -0.78 -0.29 0.00 0.00 176.35 174.66 1rm1 h ASP 67 N 11.71 0.77 -4.76 3.68 3.58 -0.96 -3.48 116.42 126.97 1rm1 h ASP 67 Ca -0.29 -0.93 -0.12 0.00 0.42 0.00 0.00 57.03 56.11 1rm1 h ASP 67 Cb 1.13 -0.25 -0.21 0.00 1.72 0.00 0.00 39.33 41.71 1rm1 h ASP 67 CO 1.09 1.69 -0.28 -0.89 -2.88 0.00 0.00 179.24 177.97 1rm1 s THR 68 N -2.57 0.05 0.15 2.25 2.01 -1.17 -4.99 115.64 111.37 1rm1 s THR 68 Ca -0.11 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1rm1 s THR 68 Cb 0.04 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1rm1 s THR 68 CO 0.92 -0.21 0.03 -0.72 -0.69 0.00 0.00 174.62 173.95 1rm1 s TYR 69 N -1.02 1.03 -0.24 4.92 -0.85 -1.26 -1.00 117.35 118.94 1rm1 s TYR 69 Ca -0.11 -1.12 -0.27 0.00 -0.52 0.00 0.00 57.07 55.05 1rm1 s TYR 69 Cb -0.05 -0.59 0.13 0.00 0.38 0.00 0.00 41.96 41.83 1rm1 s TYR 69 CO 0.03 -0.36 1.03 0.20 -1.52 0.00 0.00 175.55 174.93 1rm1 s GLY 70 N -3.11 -0.18 -0.17 5.49 0.00 -0.30 -4.95 107.32 104.09 1rm1 s GLY 70 Ca 0.24 2.45 -0.04 0.00 0.00 0.00 0.00 44.72 47.36 1rm1 s GLY 70 CO 0.03 1.54 0.14 -0.12 0.00 0.00 0.00 173.10 174.68 1rm1 s PHE 71 N -0.27 -0.00 -0.07 1.90 2.19 -1.26 -1.07 117.98 119.40 1rm1 s PHE 71 Ca 0.01 -0.03 -0.11 0.00 0.33 0.00 0.00 56.93 57.13 1rm1 s PHE 71 Cb -0.03 -0.54 0.02 0.00 -1.31 0.00 0.00 43.02 41.17 1rm1 s PHE 71 CO -0.03 -0.51 0.28 0.00 1.83 0.00 0.00 175.22 176.79 1rm1 n ASP 73 N 2.29 -5.11 -1.56 0.00 8.00 -1.26 -1.45 116.55 117.47 1rm1 n ASP 73 Ca -0.16 -0.54 -0.15 0.00 0.71 0.00 0.00 54.79 54.65 1rm1 n ASP 73 Cb 0.57 -4.10 -0.02 0.00 -0.02 0.00 0.00 41.12 37.55 1rm1 n ASP 73 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rm1 n ASP 74 N -2.66 -4.55 -4.09 -2.24 2.03 -1.26 -5.00 116.55 98.78 1rm1 n ASP 74 Ca -0.01 0.07 -0.25 0.00 0.52 0.00 0.00 54.79 55.12 1rm1 n ASP 74 Cb 0.56 -3.62 -0.16 0.00 -0.72 0.00 0.00 41.12 37.18 1rm1 n ASP 74 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1rm1 s VAL 75 N -2.69 1.29 -0.13 5.18 1.01 -0.53 -3.64 120.40 120.89 1rm1 s VAL 75 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1rm1 s VAL 75 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1rm1 s VAL 75 CO 0.00 0.38 0.04 0.26 0.00 0.00 0.00 175.10 175.78 1rm1 s TRP 76 N 0.25 3.24 -0.06 5.22 0.52 -0.41 -2.18 118.94 125.51 1rm1 s TRP 76 Ca -0.07 0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.20 1rm1 s TRP 76 Cb -0.13 -1.93 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 1rm1 s TRP 76 CO 0.03 0.33 -0.13 0.99 0.02 0.00 0.00 176.95 178.19 1rm1 s THR 77 N -0.29 1.19 -0.01 2.01 2.01 -0.23 -0.64 115.64 119.67 1rm1 s THR 77 Ca 0.08 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1rm1 s THR 77 Cb -0.12 -1.07 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1rm1 s THR 77 CO 0.02 0.36 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.88 1rm1 s PHE 78 N 0.57 0.67 -0.31 4.92 0.08 0.98 -1.15 117.98 123.73 1rm1 s PHE 78 Ca -0.13 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1rm1 s PHE 78 Cb -0.15 -0.46 0.07 0.00 -0.57 0.00 0.00 43.02 41.90 1rm1 s PHE 78 CO 0.04 -0.04 0.00 0.42 -0.10 0.00 0.00 175.22 175.54 1rm1 s ILE 79 N 0.03 2.72 -0.24 0.64 1.01 -0.17 0.40 121.20 125.59 1rm1 s ILE 79 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 60.65 58.89 1rm1 s ILE 79 Cb -0.05 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1rm1 s ILE 79 CO -0.00 -0.23 0.15 -0.69 0.00 0.00 0.00 174.94 174.17 1rm1 s VAL 80 N 1.15 5.24 0.12 2.92 1.01 0.39 -0.21 120.40 131.02 1rm1 s VAL 80 Ca -0.02 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1rm1 s VAL 80 Cb -0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1rm1 s VAL 80 CO -0.03 0.34 -0.02 -0.54 0.00 0.00 0.00 175.10 174.84 1rm1 s LYS 81 N 1.15 2.41 -1.01 2.72 1.02 -0.23 0.08 119.74 125.88 1rm1 s LYS 81 Ca 0.07 -0.96 -0.16 0.00 0.02 0.00 0.00 55.97 54.94 1rm1 s LYS 81 Cb -0.14 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1rm1 s LYS 81 CO 0.05 0.51 0.68 0.09 -0.92 0.00 0.00 175.35 175.76 1rm1 n ASN 82 N 0.38 -5.05 -4.54 2.83 3.02 -0.63 -1.89 115.26 109.38 1rm1 n ASN 82 Ca -0.11 -1.00 -0.26 0.00 -0.03 0.00 0.00 54.58 53.19 1rm1 n ASN 82 Cb 0.53 -2.44 -0.11 0.00 -0.61 0.00 0.00 39.78 37.16 1rm1 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rm1 s GLN 84 N -3.64 2.76 -0.26 0.00 -1.52 0.10 -1.37 119.66 115.73 1rm1 s GLN 84 Ca 0.33 -1.05 -0.09 0.00 -1.95 0.00 0.00 55.36 52.59 1rm1 s GLN 84 Cb 0.04 -3.18 -0.04 0.00 -0.22 0.00 0.00 33.01 29.61 1rm1 s GLN 84 CO 0.16 -0.50 0.13 0.08 -0.25 0.00 0.00 175.29 174.92 1rm1 s VAL 85 N 1.35 4.88 -0.15 1.09 1.01 0.14 -2.22 120.40 126.51 1rm1 s VAL 85 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1rm1 s VAL 85 Cb -0.18 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1rm1 s VAL 85 CO -0.01 0.30 -0.06 0.42 0.00 0.00 0.00 175.10 175.75 1rm1 s THR 86 N 1.60 3.67 0.05 3.92 -4.23 -0.59 0.25 115.64 120.31 1rm1 s THR 86 Ca 0.07 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1rm1 s THR 86 Cb -0.15 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1rm1 s THR 86 CO 0.07 0.50 0.06 0.52 -0.54 0.00 0.00 174.62 175.23 1rm1 n VAL 87 N 3.53 0.00 0.00 2.29 0.31 -1.26 -1.80 118.33 121.40 1rm1 n VAL 87 Ca -0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1rm1 n VAL 87 Cb 0.53 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 1rm1 n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rm1 n GLU 88 N -0.92 0.00 -4.38 5.55 1.02 -1.26 -4.89 120.64 115.76 1rm1 n GLU 88 Ca 0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1rm1 n GLU 88 Cb 0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.31 1rm1 n GLU 88 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rm1 s VAL 105 N 0.00 1.57 -0.06 2.62 1.01 -1.26 -3.81 120.40 120.47 1rm1 s VAL 105 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1rm1 s VAL 105 Cb 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1rm1 s VAL 105 CO 0.00 0.46 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 1rm1 s ILE 106 N 1.09 1.56 -0.20 2.22 1.01 0.69 -4.95 121.20 122.61 1rm1 s ILE 106 Ca -0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 1rm1 s ILE 106 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1rm1 s ILE 106 CO -0.04 0.45 0.42 -0.44 0.00 0.00 0.00 174.94 175.33 1rm1 s SER 107 N 0.14 6.46 -0.08 3.58 0.01 -1.26 0.28 113.70 122.82 1rm1 s SER 107 Ca -0.07 0.54 -0.00 0.00 1.31 0.00 0.00 55.95 57.72 1rm1 s SER 107 Cb -0.13 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.88 1rm1 s SER 107 CO 0.04 -0.10 -0.05 -0.69 0.41 0.00 0.00 173.24 172.85 1rm1 s VAL 108 N 1.39 0.74 0.31 3.43 1.01 -0.47 -4.99 120.40 121.82 1rm1 s VAL 108 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1rm1 s VAL 108 Cb -0.15 -0.79 0.24 0.00 0.00 0.00 0.00 36.38 35.68 1rm1 s VAL 108 CO 0.08 0.31 1.95 -2.24 0.00 0.00 0.00 175.10 175.20 1rm1 h ASP 109 N 7.94 0.86 -4.30 3.32 2.03 -1.92 -1.62 116.42 122.73 1rm1 h ASP 109 Ca -0.28 -0.05 -0.08 0.00 -0.73 0.00 0.00 57.03 55.89 1rm1 h ASP 109 Cb 1.14 -0.22 -0.22 0.00 -0.83 0.00 0.00 39.33 39.20 1rm1 h ASP 109 CO 0.38 0.67 -0.05 -0.75 -1.03 0.00 0.00 179.24 178.45 1rm1 s LYS 110 N -5.74 0.73 -0.17 4.15 2.20 -1.26 -1.60 119.74 118.05 1rm1 s LYS 110 Ca -0.11 0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 1rm1 s LYS 110 Cb 0.17 0.35 0.08 0.00 -1.51 0.00 0.00 37.83 36.93 1rm1 s LYS 110 CO 0.79 -0.14 0.33 -1.17 -0.36 0.00 0.00 175.35 174.79 1rm1 s LEU 111 N -0.25 -0.45 -0.13 5.43 1.98 0.11 -4.98 118.68 120.40 1rm1 s LEU 111 Ca -0.04 0.62 -0.19 0.00 -2.89 0.00 0.00 54.13 51.63 1rm1 s LEU 111 Cb -0.03 0.95 -0.04 0.00 0.66 0.00 0.00 46.19 47.73 1rm1 s LEU 111 CO 0.03 -0.25 0.50 -0.60 -1.89 0.00 0.00 176.35 174.14 1rm1 s ARG 112 N 2.50 4.32 -0.17 1.98 3.52 -1.26 -0.46 118.95 129.38 1rm1 s ARG 112 Ca 0.02 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1rm1 s ARG 112 Cb -0.13 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1rm1 s ARG 112 CO -0.11 0.09 -0.20 0.42 -0.81 0.00 0.00 175.30 174.69 1rm1 s ILE 113 N 0.82 2.08 -0.18 4.11 1.01 0.16 -4.97 121.20 124.24 1rm1 s ILE 113 Ca 0.27 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1rm1 s ILE 113 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1rm1 s ILE 113 CO 0.11 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.72 1rm1 s VAL 114 N 1.13 1.93 0.05 2.92 1.01 -1.26 -0.02 120.40 126.17 1rm1 s VAL 114 Ca 0.01 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1rm1 s VAL 114 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1rm1 s VAL 114 CO -0.09 0.48 -0.12 0.00 0.00 0.00 0.00 175.10 175.37 1rm1 s ALA 115 N 1.33 1.02 0.32 5.51 0.00 0.19 -4.99 121.76 125.14 1rm1 s ALA 115 Ca 0.04 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1rm1 s ALA 115 Cb -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1rm1 s ALA 115 CO -0.12 0.15 0.20 0.00 0.00 0.00 0.00 175.76 175.99 1rm1 s ASN 117 N -3.89 6.90 0.23 0.00 3.04 -1.24 -4.89 114.94 115.09 1rm1 s ASN 117 Ca 0.38 2.52 0.25 0.00 0.04 0.00 0.00 52.86 56.05 1rm1 s ASN 117 Cb -0.05 -2.63 0.87 0.00 -1.54 0.00 0.00 41.25 37.90 1rm1 s ASN 117 CO 0.24 -0.47 1.76 -1.54 -3.04 0.00 0.00 177.10 174.05 1rm1 n SER 118 N 1.52 0.78 -4.73 -4.21 3.41 -1.26 -4.80 113.62 104.32 1rm1 n SER 118 Ca 0.02 0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 59.02 1rm1 n SER 118 Cb 0.43 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1rm1 n SER 118 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1rm1 s LYS 119 N -3.18 2.58 0.00 4.33 -2.85 -1.26 -5.26 119.74 114.10 1rm1 s LYS 119 Ca 0.08 -1.26 0.31 0.00 -1.00 0.00 0.00 55.97 54.10 1rm1 s LYS 119 Cb 0.11 -2.34 1.66 0.00 -2.06 0.00 0.00 37.83 35.20 1rm1 s LYS 119 CO 0.53 0.36 2.09 1.17 0.10 0.00 0.00 175.35 179.59