#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gln h PRO 4 N nan 0.40 0.07 0.00 0.13 -2.06 -3.13 132.00 nan 3gln h PRO 4 Ca nan -0.12 -0.27 0.00 -0.87 0.00 0.00 66.00 nan 3gln h PRO 4 Cb nan -0.04 0.01 0.00 0.13 0.00 0.00 31.00 nan 3gln h PRO 4 CO nan 0.57 -1.12 1.49 -0.23 0.00 0.00 178.00 nan 3gln h GLU 5 N 0.37 0.49 -0.24 0.86 4.81 -1.99 -2.59 114.58 116.28 3gln h GLU 5 Ca 0.06 -0.62 -0.09 0.00 -0.13 0.00 0.00 59.36 58.58 3gln h GLU 5 Cb 0.54 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3gln h GLU 5 CO 0.04 1.25 -0.25 0.77 -0.73 0.00 0.00 179.01 180.09 3gln h SER 6 N 0.24 0.46 0.74 1.04 0.02 -1.94 -1.63 113.55 112.47 3gln h SER 6 Ca -0.13 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 3gln h SER 6 Cb 1.78 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.18 3gln h SER 6 CO 0.20 0.70 -0.80 -0.08 -1.14 0.00 0.00 176.83 175.72 3gln h GLU 7 N 0.41 0.04 -0.42 3.45 4.57 -1.73 -0.39 114.58 120.50 3gln h GLU 7 Ca 0.06 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3gln h GLU 7 Cb 0.65 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 3gln h GLU 7 CO 0.05 0.81 0.06 -0.07 -1.18 0.00 0.00 179.01 178.68 3gln h LEU 8 N 0.02 0.68 -0.08 1.64 3.38 -1.18 -2.06 115.31 117.71 3gln h LEU 8 Ca -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3gln h LEU 8 Cb 1.40 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3gln h LEU 8 CO 0.11 0.78 0.03 0.40 0.09 0.00 0.00 178.44 179.85 3gln h ILE 9 N 0.56 1.15 -0.39 1.22 2.04 -1.04 -1.80 117.51 119.25 3gln h ILE 9 Ca 0.13 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3gln h ILE 9 Cb 0.39 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3gln h ILE 9 CO 0.01 0.13 0.08 0.03 0.00 0.00 0.00 178.15 178.41 3gln h ARG 10 N -0.03 0.63 -0.75 2.37 3.08 -1.11 -2.04 114.38 116.54 3gln h ARG 10 Ca 0.03 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3gln h ARG 10 Cb 0.18 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3gln h ARG 10 CO -0.00 0.67 0.41 1.96 -1.07 0.00 0.00 179.97 181.94 3gln h GLN 11 N 0.49 1.03 -0.00 0.04 4.20 -1.36 -2.61 115.11 116.89 3gln h GLN 11 Ca 0.12 -0.11 -0.23 0.00 0.06 0.00 0.00 58.65 58.49 3gln h GLN 11 Cb 0.33 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3gln h GLN 11 CO 0.00 0.75 -0.94 0.66 -0.67 0.00 0.00 178.83 178.63 3gln h SER 12 N 1.04 0.57 0.25 1.46 4.64 -1.27 -3.21 113.55 117.04 3gln h SER 12 Ca 0.27 -0.45 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3gln h SER 12 Cb 0.01 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3gln h SER 12 CO -0.04 1.25 -0.26 -0.25 -0.87 0.00 0.00 176.83 176.66 3gln h TRP 13 N 0.25 0.00 -0.61 4.77 2.91 -1.28 -3.34 115.95 118.66 3gln h TRP 13 Ca -0.08 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.04 3gln h TRP 13 Cb 1.58 -0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 30.15 3gln h TRP 13 CO 0.06 0.26 0.18 0.00 -1.03 0.00 0.00 178.44 177.91 3gln h ARG 14 N 0.00 0.33 -0.63 2.65 3.08 -1.46 -0.53 114.38 117.81 3gln h ARG 14 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3gln h ARG 14 Cb 0.45 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3gln h ARG 14 CO 0.03 0.22 0.30 0.28 -1.07 0.00 0.00 179.97 179.72 3gln h VAL 15 N 0.34 1.22 -0.24 2.04 2.07 -1.77 -3.22 116.25 116.68 3gln h VAL 15 Ca 0.32 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3gln h VAL 15 Cb 0.44 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3gln h VAL 15 CO -0.36 0.26 0.05 0.58 0.02 0.00 0.00 177.57 178.12 3gln h VAL 16 N 0.87 1.22 0.00 2.57 2.07 -1.45 -3.22 116.25 118.31 3gln h VAL 16 Ca 0.21 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3gln h VAL 16 Cb 0.13 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3gln h VAL 16 CO -0.03 0.23 -0.15 0.77 0.02 0.00 0.00 177.57 178.41 3gln h SER 17 N 0.21 0.00 0.18 0.57 4.64 -1.17 -1.69 113.55 116.29 3gln h SER 17 Ca 0.08 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3gln h SER 17 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3gln h SER 17 CO 0.00 0.15 -0.22 0.03 -0.87 0.00 0.00 176.83 175.93 3gln h ARG 18 N 0.00 0.08 -2.16 4.77 3.08 -1.56 -3.33 114.38 115.25 3gln h ARG 18 Ca -0.00 -0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.45 3gln h ARG 18 Cb 0.42 -0.01 -0.39 0.00 0.08 0.00 0.00 29.97 30.07 3gln h ARG 18 CO 0.02 0.29 -1.01 -1.13 -1.07 0.00 0.00 179.97 177.07 3gln n SER 19 N -4.25 0.37 -0.04 7.04 3.41 -0.65 -4.99 113.62 114.52 3gln n SER 19 Ca -0.02 -2.68 -0.03 0.00 -0.26 0.00 0.00 58.87 55.88 3gln n SER 19 Cb 0.29 -0.62 0.20 0.00 -0.26 0.00 0.00 64.21 63.83 3gln n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3gln h PRO 20 N 4.55 0.61 -0.13 4.33 0.13 -1.65 -2.36 132.00 137.49 3gln h PRO 20 Ca 0.14 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 3gln h PRO 20 Cb 0.87 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3gln h PRO 20 CO 0.47 0.71 -0.12 1.25 -0.23 0.00 0.00 178.00 180.08 3gln h LEU 21 N 0.56 0.33 -0.62 1.56 5.85 -1.90 0.65 115.31 121.74 3gln h LEU 21 Ca 0.10 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.45 3gln h LEU 21 Cb 0.52 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 3gln h LEU 21 CO 0.03 0.74 0.19 -0.33 -0.34 0.00 0.00 178.44 178.73 3gln h GLU 22 N -0.08 0.33 -0.20 1.25 5.08 -1.94 0.11 114.58 119.14 3gln h GLU 22 Ca 0.02 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 3gln h GLU 22 Cb 0.65 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3gln h GLU 22 CO 0.03 0.22 -0.64 0.45 -1.00 0.00 0.00 179.01 178.07 3gln h HIS 23 N 0.34 1.03 0.00 4.33 3.86 -1.36 -2.97 115.15 120.38 3gln h HIS 23 Ca 0.32 -0.42 -0.06 0.00 -1.16 0.00 0.00 60.37 59.05 3gln h HIS 23 Cb 0.45 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3gln h HIS 23 CO -0.20 1.24 -0.29 0.78 0.86 0.00 0.00 177.93 180.31 3gln h GLY 24 N 0.53 0.00 0.92 2.45 0.00 -0.66 -2.38 103.07 103.92 3gln h GLY 24 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3gln h GLY 24 CO 0.14 0.00 0.02 -0.84 0.00 0.00 0.00 176.54 175.86 3gln h THR 25 N 0.00 0.97 -0.36 4.70 2.02 -0.75 -0.08 112.91 119.42 3gln h THR 25 Ca -0.00 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.22 3gln h THR 25 Cb 0.86 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 3gln h THR 25 CO 0.04 0.01 -0.02 0.58 0.37 0.00 0.00 175.52 176.50 3gln h VAL 26 N 0.06 0.72 -0.21 3.16 2.07 -1.32 0.20 116.25 120.93 3gln h VAL 26 Ca 0.04 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3gln h VAL 26 Cb 0.03 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3gln h VAL 26 CO -0.05 0.01 0.03 0.25 0.02 0.00 0.00 177.57 177.84 3gln h LEU 27 N 0.08 -0.01 -0.30 2.57 6.46 -1.18 -2.05 115.31 120.88 3gln h LEU 27 Ca 0.17 0.04 -0.20 0.00 -0.12 0.00 0.00 57.88 57.77 3gln h LEU 27 Cb 0.25 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 3gln h LEU 27 CO -0.31 0.03 -0.81 -0.26 -0.62 0.00 0.00 178.44 176.47 3gln h PHE 28 N 0.11 0.61 -0.54 1.25 0.04 -0.71 -0.12 116.94 117.57 3gln h PHE 28 Ca 0.10 -0.29 0.07 0.00 2.80 0.00 0.00 57.97 60.65 3gln h PHE 28 Cb 0.10 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 3gln h PHE 28 CO -0.15 1.07 0.21 0.00 -0.60 0.00 0.00 178.31 178.84 3gln h ALA 29 N 0.84 0.69 -0.31 2.45 0.00 -0.54 -1.67 119.26 120.72 3gln h ALA 29 Ca -0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3gln h ALA 29 Cb 1.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3gln h ALA 29 CO 0.14 -0.18 0.08 -0.09 0.00 0.00 0.00 179.25 179.19 3gln h ARG 30 N 0.40 0.50 -0.43 0.00 9.65 -1.31 -1.74 114.38 121.44 3gln h ARG 30 Ca 0.26 -0.12 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 3gln h ARG 30 Cb 0.28 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.72 3gln h ARG 30 CO -0.25 0.57 -0.01 1.25 2.80 0.00 0.00 179.97 184.33 3gln h LEU 31 N 0.34 -0.19 -0.79 3.80 5.85 -0.66 -2.22 115.31 121.44 3gln h LEU 31 Ca 0.10 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3gln h LEU 31 Cb 0.29 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3gln h LEU 31 CO 0.00 -0.06 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.42 3gln h PHE 32 N 0.10 0.00 -0.25 1.25 0.04 -1.26 -0.31 116.94 116.52 3gln h PHE 32 Ca 0.21 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3gln h PHE 32 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3gln h PHE 32 CO -0.29 0.36 -0.22 0.00 -0.60 0.00 0.00 178.31 177.57 3gln h ALA 33 N 1.64 1.17 0.19 2.45 0.00 -1.04 -2.92 119.26 120.74 3gln h ALA 33 Ca -0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 54.91 54.27 3gln h ALA 33 Cb 0.96 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.64 3gln h ALA 33 CO 0.05 0.53 -1.45 -0.07 0.00 0.00 0.00 179.25 178.30 3gln h LEU 34 N 0.41 0.62 -5.96 0.00 3.38 -1.18 -3.43 115.31 109.15 3gln h LEU 34 Ca 0.07 -0.71 -0.48 0.00 0.09 0.00 0.00 57.88 56.84 3gln h LEU 34 Cb 0.61 -0.20 -0.33 0.00 0.09 0.00 0.00 40.66 40.83 3gln h LEU 34 CO 0.04 1.57 -0.89 1.21 0.09 0.00 0.00 178.44 180.46 3gln n GLU 35 N -3.60 0.39 0.16 1.13 4.07 -0.15 -4.97 120.64 117.68 3gln n GLU 35 Ca -0.15 -2.89 0.17 0.00 -0.06 0.00 0.00 57.16 54.23 3gln n GLU 35 Cb 1.07 -1.53 0.78 0.00 -0.06 0.00 0.00 31.44 31.71 3gln n GLU 35 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3gln h PRO 36 N 5.07 0.00 0.00 5.31 0.11 -1.74 -1.88 132.00 138.86 3gln h PRO 36 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3gln h PRO 36 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3gln h PRO 36 CO 0.32 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.98 3gln n SER 37 N -3.94 0.00 0.18 -2.05 3.41 -1.26 -1.41 113.62 108.55 3gln n SER 37 Ca 0.03 0.40 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 3gln n SER 37 Cb 0.39 -0.44 0.10 0.00 -0.26 0.00 0.00 64.21 63.99 3gln n SER 37 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3gln h LEU 38 N 0.00 0.00 -0.54 1.04 3.38 -1.72 -3.37 115.31 114.11 3gln h LEU 38 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3gln h LEU 38 Cb 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3gln h LEU 38 CO 0.00 0.23 -0.04 0.25 0.09 0.00 0.00 178.44 178.97 3gln h LEU 39 N 0.00 -0.31 -1.86 1.67 5.85 -1.42 -1.33 115.31 117.91 3gln h LEU 39 Ca -0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gln h LEU 39 Cb 1.18 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3gln h LEU 39 CO 0.03 -0.11 0.01 -0.65 -0.34 0.00 0.00 178.44 177.38 3gln h PRO 40 N 0.08 0.00 0.00 5.25 0.11 -1.78 -2.09 132.00 133.57 3gln h PRO 40 Ca 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 3gln h PRO 40 Cb 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3gln h PRO 40 CO -0.48 0.00 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.23 3gln h LEU 41 N 0.00 0.00 -7.83 2.35 3.38 -1.49 -3.39 115.31 108.33 3gln h LEU 41 Ca 0.00 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.21 3gln h LEU 41 Cb 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.54 3gln h LEU 41 CO 0.00 0.00 0.43 -0.36 0.09 0.00 0.00 178.44 178.60 3gln s PHE 42 N -3.58 3.63 -0.12 1.13 0.08 -0.79 -5.02 117.98 113.32 3gln s PHE 42 Ca 0.02 -1.92 0.03 0.00 0.12 0.00 0.00 56.93 55.18 3gln s PHE 42 Cb 0.08 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 3gln s PHE 42 CO 0.57 -1.15 -0.21 -0.65 -0.10 0.00 0.00 175.22 173.67 3gln s GLN 43 N 0.79 3.10 -0.03 0.44 -0.21 -1.26 -4.51 119.66 117.98 3gln s GLN 43 Ca 0.25 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.83 3gln s GLN 43 Cb -0.08 -2.40 -0.00 0.00 1.00 0.00 0.00 33.01 31.53 3gln s GLN 43 CO -0.08 0.13 -0.15 0.71 -2.12 0.00 0.00 175.29 173.78 3gln s TYR 44 N 0.48 1.44 -1.52 0.91 2.02 -1.19 -4.68 117.35 114.82 3gln s TYR 44 Ca -0.14 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 3gln s TYR 44 Cb -0.17 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.43 3gln s TYR 44 CO 0.05 -0.12 0.43 0.27 -1.57 0.00 0.00 175.55 174.61 3gln n ASN 45 N 3.11 -5.53 -2.01 2.29 2.04 -1.26 -1.98 115.26 111.92 3gln n ASN 45 Ca -0.18 -0.22 -0.20 0.00 -0.44 0.00 0.00 54.58 53.55 3gln n ASN 45 Cb 0.54 -4.52 -0.05 0.00 -2.53 0.00 0.00 39.78 33.22 3gln n ASN 45 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3gln n GLY 46 N -1.32 0.64 3.49 4.83 0.00 -1.26 -5.00 105.19 106.57 3gln n GLY 46 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 3gln n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gln s ARG 47 N -4.40 1.77 -0.13 1.61 0.52 -0.84 -5.12 118.95 112.36 3gln s ARG 47 Ca 0.00 -1.26 -0.06 0.00 -0.52 0.00 0.00 55.73 53.89 3gln s ARG 47 Cb 0.00 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 3gln s ARG 47 CO 0.00 0.46 0.08 -1.14 0.02 0.00 0.00 175.30 174.72 3gln s GLN 48 N -2.37 3.51 0.17 3.54 0.74 -1.26 -3.16 119.66 120.82 3gln s GLN 48 Ca 0.20 -0.26 -0.31 0.00 0.05 0.00 0.00 55.36 55.03 3gln s GLN 48 Cb -0.10 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.81 3gln s GLN 48 CO 0.11 0.60 1.55 -0.06 -0.55 0.00 0.00 175.29 176.93 3gln s PHE 49 N -0.54 3.08 0.01 1.67 0.08 -1.26 -4.96 117.98 116.04 3gln s PHE 49 Ca 0.11 0.68 -0.24 0.00 0.12 0.00 0.00 56.93 57.60 3gln s PHE 49 Cb -0.12 -3.90 -0.18 0.00 -0.57 0.00 0.00 43.02 38.25 3gln s PHE 49 CO 0.02 -3.29 1.32 0.77 -0.10 0.00 0.00 175.22 173.95 3gln h SER 50 N 6.70 0.14 -3.42 1.36 0.02 -1.98 -3.45 113.55 112.91 3gln h SER 50 Ca -0.43 -0.45 -0.42 0.00 -0.84 0.00 0.00 61.79 59.65 3gln h SER 50 Cb 1.21 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 3gln h SER 50 CO 0.90 0.56 -0.73 -0.94 -1.14 0.00 0.00 176.83 175.48 3gln s SER 51 N -5.81 2.36 0.39 3.07 1.04 -1.26 -5.04 113.70 108.45 3gln s SER 51 Ca -0.15 -1.01 0.13 0.00 0.48 0.00 0.00 55.95 55.40 3gln s SER 51 Cb 0.03 -0.10 0.96 0.00 0.10 0.00 0.00 66.02 67.01 3gln s SER 51 CO 0.70 -0.21 1.86 -0.65 0.98 0.00 0.00 173.24 175.92 3gln h PRO 52 N 2.64 0.52 0.00 4.02 0.11 -1.95 -2.17 132.00 135.17 3gln h PRO 52 Ca -0.38 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 3gln h PRO 52 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gln h PRO 52 CO 0.62 0.34 -0.18 1.05 -0.21 0.00 0.00 178.00 179.62 3gln h GLU 53 N 0.54 0.00 -0.87 1.05 9.09 -2.00 -2.24 114.58 120.14 3gln h GLU 53 Ca 0.46 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.95 3gln h GLU 53 Cb 0.95 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.99 3gln h GLU 53 CO -0.20 0.18 0.57 -0.44 0.05 0.00 0.00 179.01 179.17 3gln h ASP 54 N 0.00 0.81 -0.04 3.06 3.32 -1.80 -2.99 116.42 118.79 3gln h ASP 54 Ca -0.00 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3gln h ASP 54 Cb 0.73 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3gln h ASP 54 CO 0.02 0.50 -0.32 0.77 -1.72 0.00 0.00 179.24 178.49 3gln h SER 55 N 0.91 0.53 0.35 6.45 4.64 -1.46 -2.74 113.55 122.23 3gln h SER 55 Ca 0.39 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3gln h SER 55 Cb 0.33 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3gln h SER 55 CO -0.16 0.82 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.50 3gln h LEU 56 N 0.44 0.00 -1.58 5.97 3.38 -1.58 -2.35 115.31 119.59 3gln h LEU 56 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gln h LEU 56 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3gln h LEU 56 CO 0.06 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 3gln n SER 57 N -3.41 2.39 -4.52 -0.43 3.41 -1.04 -4.89 113.62 105.13 3gln n SER 57 Ca -0.02 -1.82 -0.39 0.00 -0.26 0.00 0.00 58.87 56.38 3gln n SER 57 Cb 0.19 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 3gln n SER 57 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gln s SER 58 N -1.62 5.88 0.24 4.04 0.15 -0.89 -4.98 113.70 116.52 3gln s SER 58 Ca 0.34 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 3gln s SER 58 Cb 0.20 -2.09 0.39 0.00 -1.71 0.00 0.00 66.02 62.80 3gln s SER 58 CO 0.29 -0.16 1.64 -0.65 1.20 0.00 0.00 173.24 175.56 3gln h PRO 59 N 8.41 0.10 -0.70 5.44 0.11 -1.90 -1.22 132.00 142.23 3gln h PRO 59 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3gln h PRO 59 Cb 1.17 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3gln h PRO 59 CO 0.60 0.06 0.38 0.93 -0.21 0.00 0.00 178.00 179.77 3gln h GLU 60 N 0.10 0.98 -0.61 1.05 3.07 -1.94 0.39 114.58 117.62 3gln h GLU 60 Ca 0.38 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 3gln h GLU 60 Cb 0.66 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 3gln h GLU 60 CO -0.63 0.74 0.18 0.35 -1.40 0.00 0.00 179.01 178.24 3gln h PHE 61 N 0.97 1.00 0.00 4.33 3.57 -1.68 -2.84 116.94 122.29 3gln h PHE 61 Ca 0.25 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 3gln h PHE 61 Cb 0.04 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3gln h PHE 61 CO -0.00 0.83 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.83 3gln h LEU 62 N 0.88 -0.00 -1.95 0.59 3.38 -0.98 -1.48 115.31 115.75 3gln h LEU 62 Ca 0.20 -0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.14 3gln h LEU 62 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3gln h LEU 62 CO -0.00 0.24 0.60 0.44 0.09 0.00 0.00 178.44 179.81 3gln h ASP 63 N -0.24 0.00 0.59 -0.43 3.32 -0.18 0.18 116.42 119.65 3gln h ASP 63 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3gln h ASP 63 Cb 0.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3gln h ASP 63 CO 0.00 0.00 -1.52 -0.74 -1.72 0.00 0.00 179.24 175.26 3gln h HIS 64 N 0.00 0.10 -0.48 4.55 -0.00 -1.25 -2.88 115.15 115.19 3gln h HIS 64 Ca 0.35 -0.08 0.13 0.00 -0.00 0.00 0.00 60.37 60.77 3gln h HIS 64 Cb 1.55 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.94 3gln h HIS 64 CO 0.00 1.11 0.34 0.82 -0.00 0.00 0.00 177.93 180.20 3gln h ILE 65 N 0.02 0.78 -0.03 6.26 2.04 0.41 -1.37 117.51 125.61 3gln h ILE 65 Ca -0.22 -0.01 -0.25 0.00 1.00 0.00 0.00 64.86 65.38 3gln h ILE 65 Cb 1.95 0.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.79 3gln h ILE 65 CO 0.11 0.01 -0.98 0.03 0.00 0.00 0.00 178.15 177.31 3gln h ARG 66 N 0.04 0.68 0.27 2.37 3.08 -1.32 -2.54 114.38 116.96 3gln h ARG 66 Ca 0.23 -0.70 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3gln h ARG 66 Cb 0.86 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 3gln h ARG 66 CO -0.01 1.28 -0.31 0.87 -1.07 0.00 0.00 179.97 180.73 3gln h LYS 67 N 0.40 -0.60 -0.73 0.04 1.57 -1.06 -1.25 116.57 114.94 3gln h LYS 67 Ca -0.11 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3gln h LYS 67 Cb 1.62 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.99 3gln h LYS 67 CO 0.19 -0.40 0.32 0.28 -0.57 0.00 0.00 179.45 179.27 3gln h VAL 68 N -0.63 0.75 -0.04 0.50 2.07 -1.41 -0.95 116.25 116.54 3gln h VAL 68 Ca -0.00 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3gln h VAL 68 Cb 0.59 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3gln h VAL 68 CO -0.09 0.09 -0.52 0.24 0.02 0.00 0.00 177.57 177.31 3gln h MET 69 N 0.52 0.10 -0.49 1.57 2.86 -1.32 -1.39 114.93 116.78 3gln h MET 69 Ca 0.38 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.87 3gln h MET 69 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3gln h MET 69 CO -0.33 0.60 -0.06 1.25 1.06 0.00 0.00 176.91 179.42 3gln h LEU 70 N 0.08 0.89 -0.62 1.22 5.85 -0.08 -0.55 115.31 122.10 3gln h LEU 70 Ca -0.00 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.27 3gln h LEU 70 Cb 0.95 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3gln h LEU 70 CO 0.07 1.02 -0.14 0.58 -0.34 0.00 0.00 178.44 179.63 3gln h VAL 71 N 0.75 1.27 -0.75 1.05 2.07 -0.94 -0.32 116.25 119.38 3gln h VAL 71 Ca 0.13 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3gln h VAL 71 Cb 0.60 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3gln h VAL 71 CO 0.04 0.44 0.41 0.40 0.02 0.00 0.00 177.57 178.89 3gln h ILE 72 N 0.83 1.23 -0.94 4.57 2.04 -1.23 -1.42 117.51 122.59 3gln h ILE 72 Ca 0.13 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3gln h ILE 72 Cb 0.69 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3gln h ILE 72 CO 0.05 0.25 0.62 -0.78 0.00 0.00 0.00 178.15 178.29 3gln h ASP 73 N 1.04 1.07 -0.04 1.72 3.58 -0.69 0.52 116.42 123.61 3gln h ASP 73 Ca 0.27 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.71 3gln h ASP 73 Cb 0.03 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3gln h ASP 73 CO -0.04 0.77 -0.08 0.00 -2.88 0.00 0.00 179.24 177.00 3gln h ALA 74 N 1.35 -0.06 -0.73 -0.78 0.00 -0.60 -0.16 119.26 118.28 3gln h ALA 74 Ca 0.35 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.35 3gln h ALA 74 Cb -0.13 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3gln h ALA 74 CO -0.08 -0.56 0.48 0.00 0.00 0.00 0.00 179.25 179.09 3gln h ALA 75 N 0.89 1.72 -0.27 0.00 0.00 -0.78 -0.61 119.26 120.21 3gln h ALA 75 Ca 0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3gln h ALA 75 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gln h ALA 75 CO -0.12 0.15 -0.11 0.28 0.00 0.00 0.00 179.25 179.46 3gln h VAL 76 N 0.74 1.29 -0.55 0.00 2.07 -0.43 -2.48 116.25 116.88 3gln h VAL 76 Ca 0.32 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3gln h VAL 76 Cb 0.30 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3gln h VAL 76 CO -0.11 0.37 0.21 0.74 0.02 0.00 0.00 177.57 178.80 3gln h THR 77 N 0.30 1.20 -0.96 2.57 2.02 -0.52 -2.90 112.91 114.62 3gln h THR 77 Ca 0.06 -0.64 -0.64 0.00 0.77 0.00 0.00 66.41 65.96 3gln h THR 77 Cb 0.61 0.55 -0.31 0.00 -1.74 0.00 0.00 68.15 67.26 3gln h THR 77 CO 0.03 0.25 0.63 0.59 0.37 0.00 0.00 175.52 177.40 3gln n ASN 78 N -4.33 6.98 0.11 4.18 4.13 -0.28 -4.76 115.26 121.29 3gln n ASN 78 Ca 0.04 -3.77 -0.04 0.00 1.68 0.00 0.00 54.58 52.49 3gln n ASN 78 Cb 0.17 -0.88 0.10 0.00 -1.54 0.00 0.00 39.78 37.63 3gln n ASN 78 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 3gln h VAL 79 N 1.15 1.45 -0.18 2.41 3.04 -1.23 -3.09 116.25 119.80 3gln h VAL 79 Ca 0.57 -2.25 -0.11 0.00 -1.01 0.00 0.00 66.70 63.91 3gln h VAL 79 Cb 1.06 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 32.53 3gln h VAL 79 CO 1.44 0.65 -0.36 -0.33 -1.01 0.00 0.00 177.57 177.96 3gln h GLU 80 N 0.08 0.38 -2.43 4.17 4.39 -1.87 -3.41 114.58 115.89 3gln h GLU 80 Ca -0.01 -0.17 -0.35 0.00 0.34 0.00 0.00 59.36 59.17 3gln h GLU 80 Cb 1.22 -0.01 -0.35 0.00 -0.10 0.00 0.00 28.75 29.50 3gln h GLU 80 CO 0.10 0.69 -0.65 -0.51 -1.16 0.00 0.00 179.01 177.47 3gln s ASP 81 N -6.85 1.77 0.11 1.42 1.01 -1.18 -4.98 116.67 107.96 3gln s ASP 81 Ca -0.06 -0.55 0.23 0.00 0.71 0.00 0.00 52.55 52.88 3gln s ASP 81 Cb 0.13 0.33 0.16 0.00 1.01 0.00 0.00 42.92 44.56 3gln s ASP 81 CO 0.79 -0.36 1.15 0.18 0.21 0.00 0.00 175.17 177.13 3gln n LEU 82 N 5.31 0.69 -0.32 1.23 4.77 -1.18 -3.53 117.00 123.97 3gln n LEU 82 Ca -0.04 0.16 0.20 0.00 -0.03 0.00 0.00 56.01 56.30 3gln n LEU 82 Cb 0.47 -0.13 0.41 0.00 -2.33 0.00 0.00 43.42 41.85 3gln n LEU 82 CO 0.05 -0.05 1.00 0.77 -1.33 0.00 0.00 177.39 177.83 3gln h SER 83 N 0.00 0.16 0.16 -1.43 4.64 -1.94 0.94 113.55 116.09 3gln h SER 83 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3gln h SER 83 Cb 0.80 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3gln h SER 83 CO 0.00 -0.23 0.00 -1.54 -0.87 0.00 0.00 176.83 174.19 3gln n SER 84 N -5.21 0.00 0.00 4.97 3.41 -1.23 -2.72 113.62 112.84 3gln n SER 84 Ca 0.28 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3gln n SER 84 Cb 0.91 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3gln n SER 84 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gln n LEU 85 N -1.28 0.00 -0.29 1.04 7.94 0.29 -4.86 117.00 119.85 3gln n LEU 85 Ca 0.04 -0.40 0.04 0.00 -1.11 0.00 0.00 56.01 54.58 3gln n LEU 85 Cb 0.07 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.27 3gln n LEU 85 CO 0.07 0.00 1.25 -0.33 -1.11 0.00 0.00 177.39 177.26 3gln h GLU 86 N 0.00 0.97 -0.37 1.96 3.07 -0.34 -2.38 114.58 117.49 3gln h GLU 86 Ca 0.00 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 3gln h GLU 86 Cb 0.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.67 3gln h GLU 86 CO 0.00 0.64 0.11 0.93 -1.40 0.00 0.00 179.01 179.30 3gln h GLU 87 N 1.00 0.58 0.11 2.33 4.39 -1.87 -1.37 114.58 119.76 3gln h GLU 87 Ca 0.38 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.96 3gln h GLU 87 Cb 0.18 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 3gln h GLU 87 CO -0.14 0.60 -0.25 -0.92 -1.16 0.00 0.00 179.01 177.15 3gln h TYR 88 N 0.46 -0.66 -0.87 4.33 3.20 -1.80 -2.69 116.97 118.94 3gln h TYR 88 Ca 0.12 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3gln h TYR 88 Cb 0.27 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3gln h TYR 88 CO 0.01 -0.35 0.55 -0.07 -1.64 0.00 0.00 178.16 176.66 3gln h LEU 89 N -0.45 0.89 -0.86 2.82 3.38 -1.30 0.17 115.31 119.97 3gln h LEU 89 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gln h LEU 89 Cb 0.48 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3gln h LEU 89 CO -0.15 0.60 0.51 0.74 0.09 0.00 0.00 178.44 180.23 3gln h THR 90 N 1.04 1.24 -0.18 0.22 2.02 -1.24 0.85 112.91 116.87 3gln h THR 90 Ca 0.36 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3gln h THR 90 Cb 0.08 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3gln h THR 90 CO -0.14 0.25 -0.08 0.77 0.37 0.00 0.00 175.52 176.69 3gln h SER 91 N 1.18 0.38 -0.85 4.18 4.64 -0.89 -2.34 113.55 119.84 3gln h SER 91 Ca 0.31 -0.41 0.22 0.00 -0.47 0.00 0.00 61.79 61.43 3gln h SER 91 Cb -0.04 -0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 61.80 3gln h SER 91 CO -0.06 0.70 0.11 0.25 -0.87 0.00 0.00 176.83 176.97 3gln h LEU 92 N 0.05 -0.21 -0.63 5.97 5.85 -0.32 -0.27 115.31 125.76 3gln h LEU 92 Ca 0.04 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.04 3gln h LEU 92 Cb 0.56 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 3gln h LEU 92 CO 0.03 -0.19 0.31 1.23 -0.34 0.00 0.00 178.44 179.48 3gln h GLY 93 N 0.14 0.91 0.96 3.75 0.00 0.11 -2.43 103.07 106.51 3gln h GLY 93 Ca 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3gln h GLY 93 CO -0.70 0.10 0.17 3.21 0.00 0.00 0.00 176.54 179.32 3gln h ARG 94 N 0.58 0.44 -0.80 4.80 3.08 -0.56 -1.55 114.38 120.37 3gln h ARG 94 Ca 0.29 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.43 3gln h ARG 94 Cb 0.24 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 3gln h ARG 94 CO -0.21 0.37 0.53 -0.22 -1.07 0.00 0.00 179.97 179.36 3gln h LYS 95 N 0.39 0.54 0.03 0.04 1.63 -1.11 -2.24 116.57 115.85 3gln h LYS 95 Ca 0.11 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 3gln h LYS 95 Cb 0.06 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3gln h LYS 95 CO -0.02 0.36 -0.49 0.45 -3.45 0.00 0.00 179.45 176.29 3gln h HIS 96 N 0.55 0.45 -0.71 1.91 3.86 -0.82 -2.98 115.15 117.41 3gln h HIS 96 Ca 0.39 -0.26 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 3gln h HIS 96 Cb 0.73 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 3gln h HIS 96 CO -0.00 1.10 0.47 -0.09 0.86 0.00 0.00 177.93 180.27 3gln h ARG 97 N -0.34 0.78 0.00 2.45 2.43 -1.24 -1.75 114.38 116.71 3gln h ARG 97 Ca -0.07 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3gln h ARG 97 Cb 1.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3gln h ARG 97 CO 0.10 0.52 -0.40 0.00 -1.51 0.00 0.00 179.97 178.67 3gln h ALA 98 N 1.60 1.18 -0.58 2.80 0.00 -1.47 -3.19 119.26 119.60 3gln h ALA 98 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gln h ALA 98 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gln h ALA 98 CO -0.09 0.50 0.00 1.33 0.00 0.00 0.00 179.25 180.99 3gln n VAL 99 N -3.83 1.79 -0.14 0.00 0.24 -0.70 -4.92 118.33 110.77 3gln n VAL 99 Ca -0.01 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 3gln n VAL 99 Cb 0.46 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3gln n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gln n GLY 100 N 1.00 0.73 3.72 7.63 0.00 -1.18 -5.04 105.19 112.06 3gln n GLY 100 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3gln n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gln s VAL 101 N -2.15 4.24 -0.00 1.61 1.01 -0.96 -5.03 120.40 119.11 3gln s VAL 101 Ca 0.00 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 3gln s VAL 101 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3gln s VAL 101 CO 0.00 0.18 0.44 -0.13 0.00 0.00 0.00 175.10 175.58 3gln s ARG 102 N 0.65 4.01 0.36 2.72 0.52 -1.26 -4.46 118.95 121.49 3gln s ARG 102 Ca 0.54 0.46 0.14 0.00 -0.52 0.00 0.00 55.73 56.35 3gln s ARG 102 Cb -0.27 -3.25 1.00 0.00 0.52 0.00 0.00 34.95 32.95 3gln s ARG 102 CO 0.30 0.62 1.74 -0.07 0.02 0.00 0.00 175.30 177.91 3gln h LEU 103 N 4.93 0.56 -0.83 2.53 3.38 -1.99 -1.58 115.31 122.31 3gln h LEU 103 Ca -0.50 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3gln h LEU 103 Cb 1.21 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3gln h LEU 103 CO 0.63 0.07 0.00 0.77 0.09 0.00 0.00 178.44 180.01 3gln h SER 104 N 0.48 0.00 0.63 -0.43 4.64 -2.03 -2.47 113.55 114.37 3gln h SER 104 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 3gln h SER 104 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3gln h SER 104 CO -0.41 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.35 3gln n SER 105 N -2.53 0.53 -0.17 4.97 7.64 -0.60 -3.55 113.62 119.91 3gln n SER 105 Ca 0.02 0.64 -0.04 0.00 1.01 0.00 0.00 58.87 60.50 3gln n SER 105 Cb 0.28 -0.75 0.14 0.00 -1.01 0.00 0.00 64.21 62.87 3gln n SER 105 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3gln h PHE 106 N 0.00 0.98 -0.68 1.43 0.04 -1.58 -2.86 116.94 114.26 3gln h PHE 106 Ca 0.00 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 3gln h PHE 106 Cb 0.32 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3gln h PHE 106 CO 0.00 0.81 0.35 0.66 -0.60 0.00 0.00 178.31 179.53 3gln h SER 107 N 0.90 0.87 -0.78 2.17 4.64 -1.79 -0.02 113.55 119.54 3gln h SER 107 Ca 0.19 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3gln h SER 107 Cb 0.33 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 3gln h SER 107 CO 0.00 0.74 0.38 0.74 -0.87 0.00 0.00 176.83 177.81 3gln h THR 108 N 0.94 1.25 -0.39 2.95 2.02 -1.76 0.11 112.91 118.03 3gln h THR 108 Ca 0.24 -0.70 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3gln h THR 108 Cb 0.08 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3gln h THR 108 CO -0.03 0.30 -0.26 0.58 0.37 0.00 0.00 175.52 176.48 3gln h VAL 109 N 1.13 1.28 -0.53 3.16 2.07 -1.28 -0.90 116.25 121.16 3gln h VAL 109 Ca 0.27 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 3gln h VAL 109 Cb 0.12 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3gln h VAL 109 CO -0.03 0.47 0.17 1.23 0.02 0.00 0.00 177.57 179.42 3gln h GLY 110 N 0.66 0.89 1.57 2.17 0.00 -0.58 -0.87 103.07 106.91 3gln h GLY 110 Ca 0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3gln h GLY 110 CO 0.07 0.50 0.05 0.83 0.00 0.00 0.00 176.54 177.98 3gln h GLU 111 N 0.74 0.55 -0.28 4.80 4.39 -0.87 -0.26 114.58 123.65 3gln h GLU 111 Ca 0.17 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.59 3gln h GLU 111 Cb 0.28 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3gln h GLU 111 CO -0.01 0.54 -0.55 0.77 -1.16 0.00 0.00 179.01 178.60 3gln h SER 112 N 0.53 0.93 -0.02 1.42 0.02 -0.94 -0.23 113.55 115.26 3gln h SER 112 Ca 0.12 -0.50 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3gln h SER 112 Cb 0.27 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3gln h SER 112 CO 0.00 1.29 -0.13 0.25 -1.14 0.00 0.00 176.83 177.10 3gln h LEU 113 N 0.64 -0.38 -0.90 5.07 5.85 -0.96 -1.50 115.31 123.13 3gln h LEU 113 Ca 0.01 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3gln h LEU 113 Cb 1.15 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3gln h LEU 113 CO 0.12 -0.18 0.56 -0.07 -0.34 0.00 0.00 178.44 178.53 3gln h LEU 114 N -0.21 0.87 0.10 2.25 3.38 -1.03 -0.46 115.31 120.22 3gln h LEU 114 Ca 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gln h LEU 114 Cb 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gln h LEU 114 CO -0.14 0.55 -0.07 0.22 0.09 0.00 0.00 178.44 179.09 3gln h TYR 115 N 1.00 -0.17 -0.64 1.13 3.20 -0.98 0.82 116.97 121.33 3gln h TYR 115 Ca 0.40 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.31 3gln h TYR 115 Cb 0.21 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3gln h TYR 115 CO -0.03 -0.11 0.37 1.98 -1.64 0.00 0.00 178.16 178.74 3gln h MET 116 N -0.17 0.69 -0.18 1.82 4.05 -0.95 0.57 114.93 120.76 3gln h MET 116 Ca -0.01 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3gln h MET 116 Cb 0.15 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3gln h MET 116 CO 0.00 0.46 0.08 -0.07 0.23 0.00 0.00 176.91 177.61 3gln h LEU 117 N 0.71 0.25 -0.40 3.39 3.38 -0.86 -1.06 115.31 120.72 3gln h LEU 117 Ca 0.28 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3gln h LEU 117 Cb 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3gln h LEU 117 CO -0.15 0.32 0.23 -0.08 0.09 0.00 0.00 178.44 178.85 3gln h GLU 118 N 0.16 0.46 -0.47 1.13 4.81 -0.64 0.97 114.58 121.00 3gln h GLU 118 Ca 0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3gln h GLU 118 Cb 0.14 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3gln h GLU 118 CO -0.01 0.30 0.06 0.87 -0.73 0.00 0.00 179.01 179.51 3gln h LYS 119 N 0.47 0.73 -0.12 1.92 1.79 -0.80 -0.45 116.57 120.12 3gln h LYS 119 Ca 0.16 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 3gln h LYS 119 Cb 0.01 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3gln h LYS 119 CO -0.07 0.70 -0.21 1.03 -1.08 0.00 0.00 179.45 179.82 3gln h SER 120 N 0.70 0.39 1.04 0.86 0.87 -0.91 -3.36 113.55 113.14 3gln h SER 120 Ca 0.15 -0.55 -0.20 0.00 -1.23 0.00 0.00 61.79 59.96 3gln h SER 120 Cb 0.34 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3gln h SER 120 CO 0.01 0.87 -0.99 -0.07 -0.53 0.00 0.00 176.83 176.12 3gln h LEU 121 N -0.07 0.00 0.00 2.23 3.38 -0.74 -3.49 115.31 116.62 3gln h LEU 121 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gln h LEU 121 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3gln h LEU 121 CO 0.05 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.07 3gln n GLY 122 N 1.35 4.13 0.28 0.83 0.00 -0.18 -2.42 105.19 109.18 3gln n GLY 122 Ca -0.02 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3gln n GLY 122 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gln h PRO 123 N 0.00 0.00 0.00 1.61 0.11 -1.95 -1.53 132.00 130.24 3gln h PRO 123 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gln h PRO 123 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gln h PRO 123 CO 0.00 0.06 0.00 -0.25 -0.21 0.00 0.00 178.00 177.60 3gln n ASP 124 N -3.70 0.00 -3.73 -2.05 8.00 -1.01 -4.15 116.55 109.91 3gln n ASP 124 Ca -0.02 -0.80 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 3gln n ASP 124 Cb 0.17 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.28 3gln n ASP 124 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gln n PHE 125 N -0.94 2.61 -2.05 1.24 7.35 -0.58 -4.93 117.46 120.15 3gln n PHE 125 Ca 0.15 -2.66 -0.35 0.00 -0.76 0.00 0.00 57.45 53.83 3gln n PHE 125 Cb 0.07 -1.47 0.03 0.00 0.35 0.00 0.00 39.48 38.45 3gln n PHE 125 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3gln s THR 126 N -2.50 2.84 0.50 -2.13 -4.23 -1.26 -4.68 115.64 104.19 3gln s THR 126 Ca 0.41 0.51 0.32 0.00 -1.18 0.00 0.00 61.69 61.75 3gln s THR 126 Cb 0.14 -3.18 0.52 0.00 1.34 0.00 0.00 72.50 71.32 3gln s THR 126 CO -0.04 -0.13 1.77 -0.65 -0.54 0.00 0.00 174.62 175.03 3gln h PRO 127 N 0.88 0.10 -0.49 3.99 0.11 -1.96 0.40 132.00 135.03 3gln h PRO 127 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3gln h PRO 127 Cb 1.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3gln h PRO 127 CO 0.55 0.07 0.27 0.00 -0.21 0.00 0.00 178.00 178.68 3gln h ALA 128 N 1.46 0.63 0.31 -0.75 0.00 -1.99 -0.74 119.26 118.18 3gln h ALA 128 Ca 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 3gln h ALA 128 Cb 2.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3gln h ALA 128 CO -0.11 0.15 -0.15 1.15 0.00 0.00 0.00 179.25 180.29 3gln h THR 129 N 0.65 0.72 -0.67 0.00 2.02 -0.57 -0.41 112.91 114.66 3gln h THR 129 Ca 0.17 -0.24 0.12 0.00 0.77 0.00 0.00 66.41 67.24 3gln h THR 129 Cb 0.05 0.85 -0.13 0.00 -1.74 0.00 0.00 68.15 67.19 3gln h THR 129 CO -0.03 0.05 -0.27 -0.09 0.37 0.00 0.00 175.52 175.55 3gln h ARG 130 N -0.54 -0.08 -0.58 6.66 2.43 -1.32 -1.38 114.38 119.57 3gln h ARG 130 Ca -0.04 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3gln h ARG 130 Cb 0.40 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3gln h ARG 130 CO 0.07 -0.05 0.37 1.15 -1.51 0.00 0.00 179.97 179.99 3gln h THR 131 N -0.08 1.11 -0.19 0.20 2.02 -1.00 -0.53 112.91 114.43 3gln h THR 131 Ca 0.29 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3gln h THR 131 Cb 0.54 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3gln h THR 131 CO -0.72 0.14 0.09 0.00 0.37 0.00 0.00 175.52 175.39 3gln h ALA 132 N 1.23 0.24 -0.59 6.16 0.00 -0.63 -1.26 119.26 124.41 3gln h ALA 132 Ca 0.22 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3gln h ALA 132 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3gln h ALA 132 CO -0.07 -0.20 0.16 -1.49 0.00 0.00 0.00 179.25 177.65 3gln h TRP 133 N 0.17 0.93 -0.45 0.00 4.06 -1.17 0.28 115.95 119.77 3gln h TRP 133 Ca 0.06 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 3gln h TRP 133 Cb 0.12 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 3gln h TRP 133 CO -0.03 0.76 -0.08 1.03 -3.56 0.00 0.00 178.44 176.56 3gln h SER 134 N 0.87 0.78 -0.14 -3.49 0.87 -0.86 0.22 113.55 111.79 3gln h SER 134 Ca 0.19 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3gln h SER 134 Cb 0.29 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3gln h SER 134 CO -0.00 0.90 0.01 -0.09 -0.53 0.00 0.00 176.83 177.12 3gln h ARG 135 N 0.73 0.24 -0.03 2.24 2.43 -0.91 -0.70 114.38 118.38 3gln h ARG 135 Ca 0.13 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3gln h ARG 135 Cb 0.56 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3gln h ARG 135 CO 0.03 0.45 -0.04 1.25 -1.51 0.00 0.00 179.97 180.15 3gln h LEU 136 N -0.00 -0.13 -1.05 3.80 5.85 -0.72 -1.11 115.31 121.95 3gln h LEU 136 Ca 0.04 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3gln h LEU 136 Cb 0.33 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3gln h LEU 136 CO 0.00 -0.06 0.64 0.22 -0.34 0.00 0.00 178.44 178.90 3gln h TYR 137 N -0.06 1.19 -0.70 1.25 3.20 -0.60 -1.45 116.97 119.80 3gln h TYR 137 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3gln h TYR 137 Cb 0.10 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3gln h TYR 137 CO -0.13 0.68 0.33 0.78 -1.64 0.00 0.00 178.16 178.18 3gln h GLY 138 N 1.22 1.07 0.82 1.82 0.00 -0.74 -0.03 103.07 107.23 3gln h GLY 138 Ca 0.39 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3gln h GLY 138 CO -0.12 0.49 0.01 0.00 0.00 0.00 0.00 176.54 176.92 3gln h ALA 139 N 1.37 0.25 -0.53 3.60 0.00 -0.55 -0.88 119.26 122.51 3gln h ALA 139 Ca 0.24 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3gln h ALA 139 Cb 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3gln h ALA 139 CO -0.03 -0.06 0.12 0.28 0.00 0.00 0.00 179.25 179.56 3gln h VAL 140 N 0.09 0.70 -0.24 0.00 2.07 -1.11 -2.25 116.25 115.50 3gln h VAL 140 Ca 0.05 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3gln h VAL 140 Cb 0.36 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3gln h VAL 140 CO 0.01 0.05 -0.29 0.58 0.02 0.00 0.00 177.57 177.93 3gln h VAL 141 N 0.25 1.28 -0.28 2.57 2.07 -0.87 -2.28 116.25 118.98 3gln h VAL 141 Ca 0.27 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3gln h VAL 141 Cb 0.37 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3gln h VAL 141 CO -0.35 0.42 -0.04 -0.61 0.02 0.00 0.00 177.57 177.02 3gln h GLN 142 N 0.43 0.04 -0.31 1.57 4.15 -0.62 0.15 115.11 120.52 3gln h GLN 142 Ca 0.06 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3gln h GLN 142 Cb 0.72 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 3gln h GLN 142 CO 0.06 0.03 0.15 0.00 -1.93 0.00 0.00 178.83 177.13 3gln h ALA 143 N 1.26 0.40 0.00 3.38 0.00 -1.24 -2.72 119.26 120.34 3gln h ALA 143 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3gln h ALA 143 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gln h ALA 143 CO -0.26 -0.04 -0.36 0.52 0.00 0.00 0.00 179.25 179.12 3gln h MET 144 N 0.36 0.00 -0.08 0.00 2.86 -1.22 -2.66 114.93 114.19 3gln h MET 144 Ca 0.11 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3gln h MET 144 Cb 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3gln h MET 144 CO -0.01 0.36 -0.28 0.66 1.06 0.00 0.00 176.91 178.70 3gln h SER 145 N 0.00 0.13 -0.60 1.22 4.64 -0.64 -2.85 113.55 115.45 3gln h SER 145 Ca -0.00 -0.04 0.12 0.00 -0.47 0.00 0.00 61.79 61.40 3gln h SER 145 Cb 0.70 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 62.65 3gln h SER 145 CO 0.05 0.42 -0.04 0.03 -0.87 0.00 0.00 176.83 176.42 3gln h ARG 146 N 0.12 0.08 0.00 4.77 3.08 -1.35 -0.74 114.38 120.34 3gln h ARG 146 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gln h ARG 146 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3gln h ARG 146 CO 0.04 0.05 0.21 0.78 -1.07 0.00 0.00 179.97 179.98 3gln h GLY 147 N 0.08 0.00 1.00 0.04 0.00 -1.61 -3.49 103.07 99.10 3gln h GLY 147 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3gln h GLY 147 CO -0.54 0.00 0.00 0.79 0.00 0.00 0.00 176.54 176.79