#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imp s GLU 2 N 0.00 0.79 0.00 0.03 -1.05 -1.26 -5.16 118.70 112.05 1imp s GLU 2 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1imp s GLU 2 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1imp s GLU 2 CO 0.00 -0.25 0.00 -0.11 0.95 0.00 0.00 175.26 175.85 1imp n LEU 3 N 0.51 0.00 0.00 1.83 0.00 -1.26 -5.03 117.00 113.06 1imp n LEU 3 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 1imp n LEU 3 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.02 1imp n LEU 3 CO 0.21 -0.10 0.00 0.29 0.00 0.00 0.00 177.39 177.79 1imp n LYS 4 N 0.00 2.31 -0.01 1.96 5.02 -1.26 -5.04 118.16 121.14 1imp n LYS 4 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1imp n LYS 4 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1imp n LYS 4 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1imp n HIS 5 N -0.07 0.00 -3.61 2.13 -0.00 -1.26 -5.09 115.22 107.32 1imp n HIS 5 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 1imp n HIS 5 Cb 0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.99 29.75 1imp n HIS 5 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1imp n SER 6 N -3.72 -0.24 0.20 0.26 3.41 -1.26 -4.93 113.62 107.33 1imp n SER 6 Ca -0.09 -1.31 0.14 0.00 -0.26 0.00 0.00 58.87 57.34 1imp n SER 6 Cb 0.32 0.45 0.70 0.00 -0.26 0.00 0.00 64.21 65.42 1imp n SER 6 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1imp h ILE 7 N 1.17 0.00 -0.25 -1.33 2.10 -1.69 -0.81 117.51 116.70 1imp h ILE 7 Ca -0.05 -0.05 -0.11 0.00 1.08 0.00 0.00 64.86 65.74 1imp h ILE 7 Cb 0.20 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 36.60 1imp h ILE 7 CO 0.06 0.00 -0.30 -1.28 -1.08 0.00 0.00 178.15 175.56 1imp h SER 8 N 0.00 0.53 0.43 2.19 0.87 -1.82 -1.89 113.55 113.85 1imp h SER 8 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1imp h SER 8 Cb 0.07 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1imp h SER 8 CO 0.00 0.80 0.00 0.47 -0.53 0.00 0.00 176.83 177.57 1imp n ASP 9 N -4.09 0.00 -4.43 6.23 9.92 -0.31 -2.25 116.55 121.63 1imp n ASP 9 Ca -0.01 -0.29 -0.33 0.00 -0.53 0.00 0.00 54.79 53.63 1imp n ASP 9 Cb 0.44 -0.23 -0.13 0.00 -0.64 0.00 0.00 41.12 40.56 1imp n ASP 9 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1imp s TYR 10 N -2.45 2.92 0.99 1.24 1.51 -0.71 -4.83 117.35 116.01 1imp s TYR 10 Ca 0.31 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.72 1imp s TYR 10 Cb 0.20 -1.91 0.18 0.00 -0.11 0.00 0.00 41.96 40.32 1imp s TYR 10 CO 0.42 -0.15 1.16 0.95 -1.11 0.00 0.00 175.55 176.82 1imp s THR 11 N 0.43 1.92 0.02 -0.71 -4.23 -1.26 -1.64 115.64 110.16 1imp s THR 11 Ca -0.07 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.76 1imp s THR 11 Cb -0.15 -2.71 0.34 0.00 1.34 0.00 0.00 72.50 71.32 1imp s THR 11 CO 0.04 0.00 1.94 1.05 -0.54 0.00 0.00 174.62 177.11 1imp h GLU 12 N -1.79 0.00 0.02 3.99 -0.00 -1.87 -1.34 114.58 113.59 1imp h GLU 12 Ca -0.49 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 58.50 1imp h GLU 12 Cb 1.31 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 30.01 1imp h GLU 12 CO 0.52 0.00 -2.14 0.00 -0.00 0.00 0.00 179.01 177.39 1imp n ALA 13 N -1.95 1.11 0.11 1.06 0.00 -1.26 -2.93 120.51 116.64 1imp n ALA 13 Ca -0.00 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 52.61 1imp n ALA 13 Cb 0.19 -0.23 0.47 0.00 0.00 0.00 0.00 19.45 19.88 1imp n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1imp h GLU 14 N -0.55 0.31 -0.02 0.00 5.08 -1.88 0.88 114.58 118.39 1imp h GLU 14 Ca -0.54 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1imp h GLU 14 Cb 1.69 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1imp h GLU 14 CO -0.20 0.27 -0.14 0.35 -1.00 0.00 0.00 179.01 178.29 1imp h PHE 15 N 0.31 0.18 -0.35 4.33 3.57 -1.41 -2.87 116.94 120.70 1imp h PHE 15 Ca 0.08 -0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1imp h PHE 15 Cb 0.09 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1imp h PHE 15 CO 0.00 0.80 0.30 1.25 -2.23 0.00 0.00 178.31 178.43 1imp h LEU 16 N -0.49 0.00 -0.40 0.59 6.46 -1.27 0.22 115.31 120.42 1imp h LEU 16 Ca -0.01 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.58 1imp h LEU 16 Cb 0.82 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1imp h LEU 16 CO 0.03 0.00 -0.45 -0.61 -0.62 0.00 0.00 178.44 176.79 1imp h GLN 17 N 0.00 0.86 0.88 1.25 5.75 -0.65 -2.37 115.11 120.83 1imp h GLN 17 Ca 0.17 -0.49 -0.04 0.00 -0.15 0.00 0.00 58.65 58.14 1imp h GLN 17 Cb 0.77 0.03 0.01 0.00 1.07 0.00 0.00 27.48 29.36 1imp h GLN 17 CO -0.00 1.13 -0.43 1.25 -2.65 0.00 0.00 178.83 178.12 1imp h LEU 18 N 0.69 -1.03 -1.73 -2.39 5.85 -0.37 -0.96 115.31 115.37 1imp h LEU 18 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1imp h LEU 18 Cb 1.03 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1imp h LEU 18 CO 0.10 -0.72 0.41 0.58 -0.34 0.00 0.00 178.44 178.47 1imp h VAL 19 N -1.19 0.00 0.01 1.05 2.07 -1.47 0.85 116.25 117.58 1imp h VAL 19 Ca -0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1imp h VAL 19 Cb 0.92 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1imp h VAL 19 CO 0.19 0.00 -0.10 0.74 0.02 0.00 0.00 177.57 178.42 1imp h THR 20 N 0.00 1.68 0.00 2.57 2.02 -0.66 -1.54 112.91 116.98 1imp h THR 20 Ca 0.00 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.06 1imp h THR 20 Cb 0.82 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1imp h THR 20 CO 0.00 0.56 0.03 0.74 0.37 0.00 0.00 175.52 177.22 1imp h THR 21 N -0.80 0.00 0.00 3.16 2.02 0.16 0.30 112.91 117.75 1imp h THR 21 Ca -0.02 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.96 1imp h THR 21 Cb 0.97 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1imp h THR 21 CO 0.02 0.00 -1.15 0.40 0.37 0.00 0.00 175.52 175.16 1imp h ILE 22 N 0.00 0.83 0.00 3.11 2.04 -1.39 -2.61 117.51 119.49 1imp h ILE 22 Ca 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 1imp h ILE 22 Cb 0.06 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1imp h ILE 22 CO 0.00 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.43 1imp n ASN 24 N -1.29 0.74 -3.03 0.00 5.03 0.10 -4.88 115.26 111.93 1imp n ASN 24 Ca 0.12 -0.87 -0.17 0.00 0.87 0.00 0.00 54.58 54.53 1imp n ASN 24 Cb 0.20 0.78 0.07 0.00 -1.02 0.00 0.00 39.78 39.81 1imp n ASN 24 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1imp n ALA 25 N -0.82 -1.35 1.19 5.41 0.00 -1.17 -4.86 120.51 118.90 1imp n ALA 25 Ca 0.03 0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.66 1imp n ALA 25 Cb 0.17 -3.46 0.10 0.00 0.00 0.00 0.00 19.45 16.26 1imp n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1imp n ASP 26 N -2.47 1.33 -4.46 0.00 2.03 -0.99 -4.77 116.55 107.22 1imp n ASP 26 Ca -0.11 -2.03 -0.33 0.00 0.52 0.00 0.00 54.79 52.84 1imp n ASP 26 Cb 0.59 -0.19 -0.13 0.00 -0.72 0.00 0.00 41.12 40.67 1imp n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1imp s THR 27 N -1.68 3.46 -0.08 5.18 -4.23 -1.26 -4.99 115.64 112.04 1imp s THR 27 Ca 0.15 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1imp s THR 27 Cb 0.08 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1imp s THR 27 CO 0.10 0.53 2.13 -1.20 -0.54 0.00 0.00 174.62 175.63 1imp n SER 28 N 3.25 5.62 -3.60 3.99 7.64 -1.26 -4.70 113.62 124.56 1imp n SER 28 Ca -0.18 -2.58 -0.02 0.00 1.01 0.00 0.00 58.87 57.11 1imp n SER 28 Cb 0.53 -1.13 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 1imp n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1imp s SER 29 N 1.55 -0.56 0.52 6.43 0.01 -1.26 -5.02 113.70 115.38 1imp s SER 29 Ca 0.13 0.86 0.23 0.00 1.31 0.00 0.00 55.95 58.47 1imp s SER 29 Cb 0.08 1.33 1.39 0.00 0.21 0.00 0.00 66.02 69.03 1imp s SER 29 CO -0.01 -0.13 2.10 -0.08 0.41 0.00 0.00 173.24 175.53 1imp h GLU 30 N 6.42 0.00 0.00 12.44 4.22 -2.01 -0.71 114.58 134.95 1imp h GLU 30 Ca -0.26 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.16 1imp h GLU 30 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1imp h GLU 30 CO 0.17 0.10 -0.14 1.49 -2.18 0.00 0.00 179.01 178.46 1imp h GLU 31 N 0.00 0.00 0.01 1.92 4.81 -1.97 -2.58 114.58 116.77 1imp h GLU 31 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1imp h GLU 31 Cb 0.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1imp h GLU 31 CO 0.01 0.14 -1.13 0.93 -0.73 0.00 0.00 179.01 178.23 1imp h GLU 32 N 0.00 0.01 0.00 1.92 5.08 -1.52 -1.78 114.58 118.30 1imp h GLU 32 Ca -0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1imp h GLU 32 Cb 0.78 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1imp h GLU 32 CO 0.02 0.93 -0.50 1.25 -1.00 0.00 0.00 179.01 179.71 1imp h LEU 33 N 0.00 0.00 0.00 1.33 5.85 -1.32 -1.60 115.31 119.58 1imp h LEU 33 Ca -0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1imp h LEU 33 Cb 1.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1imp h LEU 33 CO 0.13 0.50 -0.12 1.62 -0.34 0.00 0.00 178.44 180.22 1imp h VAL 34 N 0.00 1.47 0.00 1.05 3.04 -1.49 -2.05 116.25 118.28 1imp h VAL 34 Ca -0.00 -2.15 0.00 0.00 -1.01 0.00 0.00 66.70 63.54 1imp h VAL 34 Cb 1.23 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.34 1imp h VAL 34 CO 0.06 0.50 0.00 0.11 -1.01 0.00 0.00 177.57 177.23 1imp h LYS 35 N -1.00 0.00 0.23 4.17 1.57 -1.37 0.13 116.57 120.30 1imp h LYS 35 Ca -0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.41 1imp h LYS 35 Cb 0.90 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.23 1imp h LYS 35 CO -0.02 0.00 -1.54 -0.07 -0.57 0.00 0.00 179.45 177.25 1imp h LEU 36 N 0.00 0.75 0.10 2.94 -0.00 -1.21 -2.88 115.31 115.01 1imp h LEU 36 Ca 0.00 -0.93 -0.00 0.00 -0.00 0.00 0.00 57.88 56.95 1imp h LEU 36 Cb 0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 1imp h LEU 36 CO 0.00 1.73 -0.05 1.62 -0.00 0.00 0.00 178.44 181.74 1imp h VAL 37 N 0.10 1.12 -0.99 1.22 3.04 -0.10 -2.47 116.25 118.17 1imp h VAL 37 Ca -0.28 -1.25 0.18 0.00 -1.01 0.00 0.00 66.70 64.34 1imp h VAL 37 Cb 2.11 1.87 -0.10 0.00 -2.01 0.00 0.00 31.29 33.17 1imp h VAL 37 CO 0.23 0.28 0.61 0.74 -1.01 0.00 0.00 177.57 178.43 1imp h THR 38 N -0.75 0.74 -0.63 3.17 2.02 -1.13 0.64 112.91 116.98 1imp h THR 38 Ca -0.01 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.97 1imp h THR 38 Cb 0.56 -0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.84 1imp h THR 38 CO 0.02 0.14 0.33 -0.74 0.37 0.00 0.00 175.52 175.64 1imp h HIS 39 N 0.75 0.60 -0.85 3.16 6.17 -1.38 0.72 115.15 124.32 1imp h HIS 39 Ca 0.55 0.02 0.13 0.00 0.71 0.00 0.00 60.37 61.78 1imp h HIS 39 Cb 0.87 -0.18 -0.09 0.00 2.52 0.00 0.00 27.41 30.54 1imp h HIS 39 CO -0.00 0.27 0.46 0.35 0.71 0.00 0.00 177.93 179.72 1imp h PHE 40 N 0.61 0.82 0.69 5.26 3.04 0.75 -1.23 116.94 126.88 1imp h PHE 40 Ca 0.29 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.24 1imp h PHE 40 Cb 0.21 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1imp h PHE 40 CO -0.10 0.25 -0.44 0.93 -2.02 0.00 0.00 178.31 176.94 1imp h GLU 41 N 0.70 -1.03 0.00 1.11 5.08 -0.19 -1.45 114.58 118.80 1imp h GLU 41 Ca 0.44 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1imp h GLU 41 Cb 0.54 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1imp h GLU 41 CO -0.32 -0.69 0.00 -1.91 -1.00 0.00 0.00 179.01 175.09 1imp n GLU 42 N -5.57 0.00 -0.02 2.33 4.07 -0.78 0.04 120.64 120.71 1imp n GLU 42 Ca -0.14 0.44 -0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1imp n GLU 42 Cb 0.46 -1.51 -0.00 0.00 -0.06 0.00 0.00 31.44 30.32 1imp n GLU 42 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1imp h MET 43 N 0.00 0.00 -0.27 5.31 2.86 -0.18 -3.39 114.93 119.27 1imp h MET 43 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1imp h MET 43 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1imp h MET 43 CO 0.00 0.00 0.00 -2.37 1.06 0.00 0.00 176.91 175.60 1imp n THR 44 N -2.85 0.35 -1.63 2.22 5.66 -0.95 -2.23 114.28 114.85 1imp n THR 44 Ca -0.01 -0.45 -0.08 0.00 -3.05 0.00 0.00 64.05 60.46 1imp n THR 44 Cb 0.02 0.39 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 1imp n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1imp n GLU 45 N 0.55 -1.59 -1.75 1.09 1.02 0.11 -4.84 120.64 115.22 1imp n GLU 45 Ca 0.15 0.47 -0.39 0.00 -0.02 0.00 0.00 57.16 57.37 1imp n GLU 45 Cb 0.36 -4.76 0.03 0.00 -0.02 0.00 0.00 31.44 27.05 1imp n GLU 45 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1imp n HIS 46 N -2.05 2.44 0.00 -0.32 -0.00 -1.25 -4.93 115.22 109.12 1imp n HIS 46 Ca -0.09 0.44 -0.13 0.00 0.46 0.00 0.00 57.72 58.40 1imp n HIS 46 Cb 0.37 -2.40 -0.10 0.00 -0.12 0.00 0.00 29.99 27.75 1imp n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1imp h PRO 47 N 1.79 -0.04 -0.80 1.57 0.13 -1.95 -3.14 132.00 129.57 1imp h PRO 47 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1imp h PRO 47 Cb 1.29 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1imp h PRO 47 CO 0.59 0.42 0.45 0.66 -0.23 0.00 0.00 178.00 179.89 1imp h SER 48 N -0.53 0.98 0.00 1.44 4.64 -1.99 -3.46 113.55 114.64 1imp h SER 48 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1imp h SER 48 Cb 0.49 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1imp h SER 48 CO 0.01 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1imp n GLY 49 N -1.13 1.85 0.00 -0.77 0.00 -1.19 -1.09 105.19 102.86 1imp n GLY 49 Ca 0.08 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.41 1imp n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1imp n SER 50 N 11.28 0.00 0.07 1.61 3.41 -1.26 -2.85 113.62 125.88 1imp n SER 50 Ca 0.00 -1.42 -0.17 0.00 -0.26 0.00 0.00 58.87 57.01 1imp n SER 50 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1imp n SER 50 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1imp h ASP 51 N 0.00 0.43 0.00 4.04 1.82 -1.44 0.13 116.42 121.39 1imp h ASP 51 Ca 0.00 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1imp h ASP 51 Cb 0.00 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.87 1imp h ASP 51 CO 0.00 1.46 0.12 -0.07 -1.61 0.00 0.00 179.24 179.14 1imp h LEU 52 N 0.07 0.00 0.00 2.28 4.07 -1.74 2.14 115.31 122.14 1imp h LEU 52 Ca -0.23 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.54 1imp h LEU 52 Cb 2.02 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.72 1imp h LEU 52 CO 0.18 0.00 -1.71 -0.38 -1.08 0.00 0.00 178.44 175.45 1imp n ILE 53 N -2.65 0.71 -0.34 1.22 5.41 -1.21 -4.46 119.36 118.03 1imp n ILE 53 Ca -0.02 -0.37 0.06 0.00 1.00 0.00 0.00 62.75 63.42 1imp n ILE 53 Cb 0.17 -0.82 0.30 0.00 -0.71 0.00 0.00 39.64 38.57 1imp n ILE 53 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1imp n TYR 54 N -2.58 1.47 -2.77 1.39 4.01 0.03 -4.42 117.16 114.30 1imp n TYR 54 Ca -0.19 -0.52 -0.09 0.00 -0.16 0.00 0.00 57.90 56.93 1imp n TYR 54 Cb 0.79 -0.36 0.07 0.00 -0.31 0.00 0.00 39.34 39.53 1imp n TYR 54 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1imp n TYR 55 N 0.55 -2.83 -2.66 -0.72 9.36 0.71 -4.87 117.16 116.69 1imp n TYR 55 Ca 0.21 -2.12 -0.36 0.00 3.32 0.00 0.00 57.90 58.94 1imp n TYR 55 Cb 0.91 1.48 -0.05 0.00 -0.63 0.00 0.00 39.34 41.05 1imp n TYR 55 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1imp s PRO 56 N 0.25 4.33 0.55 2.98 0.04 -1.26 -4.69 135.00 137.20 1imp s PRO 56 Ca 0.26 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 1imp s PRO 56 Cb 0.27 -2.59 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1imp s PRO 56 CO -0.11 0.03 0.80 1.63 0.04 0.00 0.00 177.00 179.38 1imp n LYS 57 N 0.09 0.82 -2.59 4.56 4.01 -1.26 -4.81 118.16 118.98 1imp n LYS 57 Ca 0.04 0.31 -0.42 0.00 -0.51 0.00 0.00 58.31 57.73 1imp n LYS 57 Cb 0.50 -1.96 -0.01 0.00 -0.51 0.00 0.00 35.03 33.05 1imp n LYS 57 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1imp s GLU 58 N -2.35 3.81 0.00 1.97 -6.30 -1.26 -2.66 118.70 111.92 1imp s GLU 58 Ca 0.71 -1.63 0.00 0.00 -2.50 0.00 0.00 54.97 51.54 1imp s GLU 58 Cb -0.46 -5.44 0.00 0.00 0.00 0.00 0.00 34.13 28.23 1imp s GLU 58 CO 0.52 -2.22 0.00 0.41 0.02 0.00 0.00 175.26 173.99 1imp n GLY 59 N 6.00 0.81 0.00 -1.50 0.00 -1.26 -5.12 105.19 104.13 1imp n GLY 59 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1imp n GLY 59 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1imp n ASP 60 N 0.00 0.00 -4.12 1.61 2.03 -1.09 -5.13 116.55 109.85 1imp n ASP 60 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1imp n ASP 60 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1imp n ASP 60 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1imp s ASP 61 N -1.00 0.93 -0.17 1.67 1.01 -1.26 -4.92 116.67 112.92 1imp s ASP 61 Ca 0.00 -0.88 0.16 0.00 0.71 0.00 0.00 52.55 52.53 1imp s ASP 61 Cb 0.00 0.10 0.67 0.00 1.01 0.00 0.00 42.92 44.70 1imp s ASP 61 CO 0.00 -0.42 1.58 -0.90 0.21 0.00 0.00 175.17 175.64 1imp n ASP 62 N 0.39 4.71 -4.14 0.27 5.75 -1.26 -4.67 116.55 117.60 1imp n ASP 62 Ca -0.15 -2.80 -0.35 0.00 -0.01 0.00 0.00 54.79 51.48 1imp n ASP 62 Cb 0.59 -0.58 0.07 0.00 -1.03 0.00 0.00 41.12 40.17 1imp n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1imp n SER 63 N 0.33 -4.09 -0.01 -1.12 7.64 -1.26 -4.85 113.62 110.26 1imp n SER 63 Ca 0.24 0.15 -0.05 0.00 1.01 0.00 0.00 58.87 60.22 1imp n SER 63 Cb 0.98 -0.85 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1imp n SER 63 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1imp h PRO 64 N -1.26 -0.09 -0.85 1.43 0.13 -1.90 -3.22 132.00 126.24 1imp h PRO 64 Ca -0.44 0.01 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1imp h PRO 64 Cb 1.32 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.31 1imp h PRO 64 CO 0.27 0.20 -0.13 1.03 -0.23 0.00 0.00 178.00 179.15 1imp h SER 65 N -1.00 -0.65 -0.44 1.44 0.87 -1.89 0.23 113.55 112.11 1imp h SER 65 Ca -0.01 0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1imp h SER 65 Cb 0.33 0.48 -0.05 0.00 -0.44 0.00 0.00 62.40 62.72 1imp h SER 65 CO 0.02 -0.27 0.15 1.23 -0.53 0.00 0.00 176.83 177.43 1imp h GLY 66 N 0.02 0.57 2.00 5.77 0.00 -1.93 0.26 103.07 109.77 1imp h GLY 66 Ca 0.44 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1imp h GLY 66 CO -0.84 0.01 -0.14 -2.22 0.00 0.00 0.00 176.54 173.36 1imp h ILE 67 N 0.32 0.91 0.00 2.60 2.04 -0.63 0.12 117.51 122.86 1imp h ILE 67 Ca 0.21 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1imp h ILE 67 Cb 0.21 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1imp h ILE 67 CO -0.22 0.14 -0.28 0.58 0.00 0.00 0.00 178.15 178.37 1imp h VAL 68 N 0.00 0.18 0.00 1.67 2.07 0.47 -2.85 116.25 117.80 1imp h VAL 68 Ca -0.00 -1.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.11 1imp h VAL 68 Cb 0.28 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1imp h VAL 68 CO 0.02 0.10 -0.70 0.78 0.02 0.00 0.00 177.57 177.80 1imp h ASN 69 N 0.00 0.00 0.04 0.57 -0.26 0.19 -1.19 115.58 114.93 1imp h ASN 69 Ca -0.01 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.50 1imp h ASN 69 Cb 1.09 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.36 1imp h ASN 69 CO 0.01 0.70 -0.87 0.74 -1.06 0.00 0.00 177.43 176.95 1imp h THR 70 N 0.00 1.31 -0.01 2.81 2.02 -0.96 -3.04 112.91 115.04 1imp h THR 70 Ca -0.01 -2.16 -0.04 0.00 0.77 0.00 0.00 66.41 64.98 1imp h THR 70 Cb 1.51 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1imp h THR 70 CO 0.09 0.67 -0.16 1.62 0.37 0.00 0.00 175.52 178.11 1imp h VAL 71 N 0.41 1.55 -1.00 3.16 3.04 -1.49 0.12 116.25 122.03 1imp h VAL 71 Ca -0.08 -1.83 0.31 0.00 -1.01 0.00 0.00 66.70 64.10 1imp h VAL 71 Cb 1.50 2.71 -0.15 0.00 -2.01 0.00 0.00 31.29 33.34 1imp h VAL 71 CO 0.17 0.49 0.56 0.07 -1.01 0.00 0.00 177.57 177.86 1imp h LYS 72 N -0.55 0.34 0.00 4.17 2.10 -1.29 0.99 116.57 122.32 1imp h LYS 72 Ca -0.02 -0.02 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1imp h LYS 72 Cb 0.89 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 32.12 1imp h LYS 72 CO 0.03 0.22 -1.13 1.96 -2.00 0.00 0.00 179.45 178.54 1imp h GLN 73 N 0.35 0.00 -0.05 0.07 1.08 -1.49 -3.36 115.11 111.70 1imp h GLN 73 Ca 0.72 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.92 1imp h GLN 73 Cb 1.62 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1imp h GLN 73 CO -0.60 0.47 0.03 2.35 -0.95 0.00 0.00 178.83 180.14 1imp h TRP 74 N 0.00 0.07 0.00 2.96 7.01 0.37 -1.28 115.95 125.08 1imp h TRP 74 Ca -0.11 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.89 1imp h TRP 74 Cb 1.60 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.64 1imp h TRP 74 CO 0.00 0.07 0.00 0.54 -2.79 0.00 0.00 178.44 176.26 1imp n ARG 75 N -5.04 0.01 -0.04 2.65 5.12 -0.36 -0.34 116.66 118.66 1imp n ARG 75 Ca -0.06 0.36 -0.11 0.00 -1.93 0.00 0.00 57.85 56.11 1imp n ARG 75 Cb 0.04 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.70 1imp n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1imp n ALA 76 N -1.48 1.39 0.01 7.54 0.00 -0.54 0.62 120.51 128.05 1imp n ALA 76 Ca 0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 53.44 52.43 1imp n ALA 76 Cb 0.08 -0.67 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1imp n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1imp h ALA 77 N 0.80 -0.03 0.00 0.00 0.00 -0.63 -3.07 119.26 116.33 1imp h ALA 77 Ca -0.37 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1imp h ALA 77 Cb 2.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1imp h ALA 77 CO 0.06 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1imp n ASN 78 N -4.30 0.00 -3.30 0.00 3.02 0.53 -4.86 115.26 106.37 1imp n ASN 78 Ca -0.12 -1.02 -0.24 0.00 -0.03 0.00 0.00 54.58 53.17 1imp n ASN 78 Cb 0.69 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.87 1imp n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1imp n GLY 79 N 0.77 -0.50 2.00 7.41 0.00 -1.02 -4.95 105.19 108.89 1imp n GLY 79 Ca 0.19 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 1imp n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1imp n LYS 80 N -4.00 -0.80 0.00 1.61 4.76 0.20 -4.97 118.16 114.97 1imp n LYS 80 Ca -0.05 -1.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.33 1imp n LYS 80 Cb 0.57 -0.73 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 1imp n LYS 80 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1imp n SER 81 N -3.49 0.00 0.00 4.39 7.64 -1.26 -4.77 113.62 116.12 1imp n SER 81 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1imp n SER 81 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1imp n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1imp n GLY 82 N 1.52 0.83 3.86 0.23 0.00 -1.26 -4.92 105.19 105.45 1imp n GLY 82 Ca 0.00 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1imp n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1imp s PHE 83 N -1.37 3.52 0.33 1.61 0.08 -1.25 -2.97 117.98 117.92 1imp s PHE 83 Ca 0.00 1.35 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 1imp s PHE 83 Cb 0.00 -2.76 0.08 0.00 -0.57 0.00 0.00 43.02 39.77 1imp s PHE 83 CO 0.00 -0.68 0.18 0.36 -0.10 0.00 0.00 175.22 174.97 1imp n LYS 84 N -2.49 -1.70 -3.73 0.44 2.85 -0.65 -4.80 118.16 108.07 1imp n LYS 84 Ca 0.06 -0.30 -0.31 0.00 -1.05 0.00 0.00 58.31 56.72 1imp n LYS 84 Cb 0.54 -0.45 -0.04 0.00 -0.65 0.00 0.00 35.03 34.43 1imp n LYS 84 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1imp s GLN 85 N -2.87 3.56 0.00 -1.58 0.74 -1.26 -4.55 119.66 113.70 1imp s GLN 85 Ca 0.14 -0.22 0.27 0.00 0.05 0.00 0.00 55.36 55.60 1imp s GLN 85 Cb -0.02 -2.89 0.73 0.00 1.10 0.00 0.00 33.01 31.93 1imp s GLN 85 CO 0.11 0.48 1.56 0.41 -0.55 0.00 0.00 175.29 177.31