#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdi n ALA 2 N 0.00 0.00 -2.54 4.61 0.00 -1.26 -5.10 120.51 116.22 1gdi n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gdi n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gdi n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gdi n LEU 3 N 0.00 -7.07 -4.90 0.00 7.99 -1.26 -4.73 117.00 107.04 1gdi n LEU 3 Ca 0.00 1.05 -0.29 0.00 -0.01 0.00 0.00 56.01 56.77 1gdi n LEU 3 Cb 0.00 -2.99 0.02 0.00 -0.11 0.00 0.00 43.42 40.34 1gdi n LEU 3 CO 0.00 -2.57 0.61 0.42 -1.51 0.00 0.00 177.39 174.35 1gdi s THR 4 N -1.58 4.06 0.51 -5.08 -4.23 -1.26 -4.37 115.64 103.70 1gdi s THR 4 Ca 0.04 0.35 0.20 0.00 -1.18 0.00 0.00 61.69 61.10 1gdi s THR 4 Cb -0.01 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.48 1gdi s THR 4 CO 0.66 -0.72 2.14 -0.08 -0.54 0.00 0.00 174.62 176.07 1gdi h GLU 5 N -0.26 0.00 0.06 3.99 4.57 -1.98 -1.08 114.58 119.89 1gdi h GLU 5 Ca -0.45 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.49 1gdi h GLU 5 Cb 1.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1gdi h GLU 5 CO 0.62 0.05 -1.11 0.66 -1.18 0.00 0.00 179.01 178.05 1gdi h SER 6 N 0.00 0.22 -0.27 1.04 4.64 -1.99 -2.26 113.55 114.93 1gdi h SER 6 Ca -0.00 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 1gdi h SER 6 Cb 0.09 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1gdi h SER 6 CO 0.01 1.17 -0.20 1.56 -0.87 0.00 0.00 176.83 178.50 1gdi h GLN 7 N 0.04 0.60 -0.79 4.77 4.20 -1.70 -2.55 115.11 119.68 1gdi h GLN 7 Ca -0.07 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1gdi h GLN 7 Cb 1.85 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.60 1gdi h GLN 7 CO 0.17 0.88 0.32 0.00 -0.67 0.00 0.00 178.83 179.53 1gdi h ALA 8 N 0.71 1.08 -0.17 3.87 0.00 -1.24 -1.98 119.26 121.52 1gdi h ALA 8 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1gdi h ALA 8 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1gdi h ALA 8 CO 0.05 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.66 1gdi h ALA 9 N 1.20 1.16 -0.22 0.00 0.00 -1.20 -2.18 119.26 118.02 1gdi h ALA 9 Ca 0.26 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1gdi h ALA 9 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1gdi h ALA 9 CO -0.02 0.54 -0.16 -0.07 0.00 0.00 0.00 179.25 179.54 1gdi h LEU 10 N 0.30 0.52 -0.10 0.00 3.38 -1.19 -1.19 115.31 117.02 1gdi h LEU 10 Ca 0.04 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1gdi h LEU 10 Cb 0.69 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1gdi h LEU 10 CO 0.05 0.85 0.06 0.58 0.09 0.00 0.00 178.44 180.07 1gdi h VAL 11 N 0.19 1.09 -0.95 1.22 2.07 -1.12 -1.75 116.25 117.00 1gdi h VAL 11 Ca 0.04 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1gdi h VAL 11 Cb 0.68 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1gdi h VAL 11 CO 0.04 0.08 0.62 0.50 0.02 0.00 0.00 177.57 178.83 1gdi h LYS 12 N 0.07 1.14 0.59 1.57 3.64 -1.09 0.92 116.57 123.40 1gdi h LYS 12 Ca 0.04 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1gdi h LYS 12 Cb 0.08 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1gdi h LYS 12 CO -0.01 0.75 -0.28 0.77 -2.27 0.00 0.00 179.45 178.41 1gdi h SER 13 N 1.17 -0.67 -0.72 4.20 0.02 -1.24 -0.20 113.55 116.10 1gdi h SER 13 Ca 0.39 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.44 1gdi h SER 13 Cb 0.06 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1gdi h SER 13 CO -0.14 -0.27 0.48 0.77 -1.14 0.00 0.00 176.83 176.52 1gdi h SER 14 N -1.18 0.53 -0.45 3.07 4.64 -1.18 -0.31 113.55 118.67 1gdi h SER 14 Ca -0.08 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 1gdi h SER 14 Cb 0.63 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1gdi h SER 14 CO 0.13 0.31 -0.08 -0.25 -0.87 0.00 0.00 176.83 176.08 1gdi h TRP 15 N 0.59 1.00 -0.41 4.77 7.01 -0.68 -1.39 115.95 126.84 1gdi h TRP 15 Ca 0.33 -0.18 -0.16 0.00 2.11 0.00 0.00 58.89 60.99 1gdi h TRP 15 Cb 0.52 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1gdi h TRP 15 CO -0.00 0.94 -0.35 0.93 -2.79 0.00 0.00 178.44 177.16 1gdi h GLU 16 N 0.82 0.96 0.00 2.65 5.08 -0.04 -2.06 114.58 121.99 1gdi h GLU 16 Ca 0.14 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1gdi h GLU 16 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1gdi h GLU 16 CO 0.04 1.15 -0.17 0.93 -1.00 0.00 0.00 179.01 179.96 1gdi h GLU 17 N 0.79 0.00 0.21 2.33 5.08 -0.76 -2.89 114.58 119.33 1gdi h GLU 17 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1gdi h GLU 17 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1gdi h GLU 17 CO 0.09 0.17 -0.10 0.35 -1.00 0.00 0.00 179.01 178.52 1gdi h PHE 18 N 0.00 -0.26 -0.00 4.33 3.57 -0.88 -3.09 116.94 120.60 1gdi h PHE 18 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1gdi h PHE 18 Cb 0.34 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1gdi h PHE 18 CO 0.00 -0.08 -0.00 -1.71 -2.23 0.00 0.00 178.31 174.29 1gdi n ASN 19 N -5.16 0.02 0.08 0.41 5.15 -0.81 -2.36 115.26 112.58 1gdi n ASN 19 Ca -0.09 -0.92 -0.07 0.00 -0.60 0.00 0.00 54.58 52.90 1gdi n ASN 19 Cb 0.17 -0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.33 1gdi n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gdi h ALA 20 N 3.94 0.45 -2.61 5.20 0.00 -1.42 -3.36 119.26 121.47 1gdi h ALA 20 Ca 0.00 -0.84 -0.60 0.00 0.00 0.00 0.00 54.91 53.47 1gdi h ALA 20 Cb 0.04 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.29 1gdi h ALA 20 CO 0.00 1.13 -0.79 -1.71 0.00 0.00 0.00 179.25 177.89 1gdi n ASN 21 N -3.46 1.43 -0.20 0.00 4.05 -1.00 -4.99 115.26 111.09 1gdi n ASN 21 Ca -0.01 -2.85 -0.07 0.00 0.45 0.00 0.00 54.58 52.10 1gdi n ASN 21 Cb 0.88 -0.66 0.03 0.00 1.23 0.00 0.00 39.78 41.26 1gdi n ASN 21 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1gdi h ILE 22 N 4.15 1.20 -0.53 -1.44 1.08 -1.72 -1.65 117.51 118.61 1gdi h ILE 22 Ca 0.20 -0.57 0.04 0.00 -0.39 0.00 0.00 64.86 64.13 1gdi h ILE 22 Cb 0.82 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 1gdi h ILE 22 CO 0.57 0.23 0.29 -0.65 -0.69 0.00 0.00 178.15 177.90 1gdi h PRO 23 N 0.78 0.55 0.30 2.37 0.11 -1.92 0.79 132.00 134.98 1gdi h PRO 23 Ca 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1gdi h PRO 23 Cb 0.11 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1gdi h PRO 23 CO -0.03 0.37 -0.14 -0.22 -0.21 0.00 0.00 178.00 177.76 1gdi h LYS 24 N 0.57 -0.39 -0.21 1.05 3.64 -1.88 -2.45 116.57 116.91 1gdi h LYS 24 Ca 0.22 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.49 1gdi h LYS 24 Cb 0.09 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1gdi h LYS 24 CO -0.13 -0.05 -0.44 0.45 -2.27 0.00 0.00 179.45 177.01 1gdi h HIS 25 N -0.87 0.62 0.00 1.91 -0.00 -1.11 -1.95 115.15 113.73 1gdi h HIS 25 Ca -0.04 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.10 1gdi h HIS 25 Cb 0.52 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 1gdi h HIS 25 CO 0.04 0.86 -0.22 1.79 -0.00 0.00 0.00 177.93 180.40 1gdi h THR 26 N 0.42 0.44 -0.22 2.45 1.35 -0.96 -0.85 112.91 115.53 1gdi h THR 26 Ca 0.03 -1.33 -0.05 0.00 -0.55 0.00 0.00 66.41 64.51 1gdi h THR 26 Cb 0.94 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1gdi h THR 26 CO 0.08 0.22 -0.06 -0.74 -0.25 0.00 0.00 175.52 174.77 1gdi h HIS 27 N 0.00 0.49 0.07 4.73 -0.00 -0.98 -3.09 115.15 116.36 1gdi h HIS 27 Ca -0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1gdi h HIS 27 Cb 0.96 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.24 1gdi h HIS 27 CO 0.00 0.67 -0.12 -0.09 -0.00 0.00 0.00 177.93 178.40 1gdi h ARG 28 N 0.16 -0.23 -0.56 5.26 9.65 -1.18 -2.26 114.38 125.22 1gdi h ARG 28 Ca 0.05 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 1gdi h ARG 28 Cb 0.52 0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 29.05 1gdi h ARG 28 CO 0.02 -0.15 -0.05 0.35 2.80 0.00 0.00 179.97 182.95 1gdi h PHE 29 N -0.24 -0.12 -0.32 2.20 3.57 -1.15 -0.84 116.94 120.03 1gdi h PHE 29 Ca 0.02 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1gdi h PHE 29 Cb 0.25 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1gdi h PHE 29 CO -0.14 -0.18 -0.32 0.74 -2.23 0.00 0.00 178.31 176.18 1gdi h PHE 30 N 0.07 0.82 -0.69 0.41 0.04 -1.45 0.76 116.94 116.89 1gdi h PHE 30 Ca 0.28 -0.21 0.10 0.00 2.80 0.00 0.00 57.97 60.94 1gdi h PHE 30 Cb 0.45 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.34 1gdi h PHE 30 CO -0.38 0.93 0.31 0.82 -0.60 0.00 0.00 178.31 179.39 1gdi h ILE 31 N 0.59 0.80 0.00 -0.55 1.08 -0.85 -1.90 117.51 116.68 1gdi h ILE 31 Ca 0.07 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 64.27 1gdi h ILE 31 Cb 0.83 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1gdi h ILE 31 CO 0.07 0.10 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.16 1gdi h LEU 32 N 0.53 0.00 -0.42 1.44 3.38 -0.24 -2.40 115.31 117.59 1gdi h LEU 32 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 1gdi h LEU 32 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1gdi h LEU 32 CO -0.30 0.40 0.08 0.58 0.09 0.00 0.00 178.44 179.28 1gdi h VAL 33 N 0.00 1.24 0.00 1.22 2.07 -0.40 -2.85 116.25 117.54 1gdi h VAL 33 Ca -0.00 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1gdi h VAL 33 Cb 0.72 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1gdi h VAL 33 CO 0.05 0.30 -0.10 -0.07 0.02 0.00 0.00 177.57 177.77 1gdi h LEU 34 N 0.55 0.00 -0.60 2.57 4.07 -1.22 -1.74 115.31 118.94 1gdi h LEU 34 Ca 0.13 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.97 1gdi h LEU 34 Cb 0.36 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1gdi h LEU 34 CO 0.01 0.10 -0.59 -0.33 -1.08 0.00 0.00 178.44 176.55 1gdi h GLU 35 N 0.00 0.00 0.14 1.13 5.08 -1.30 -1.32 114.58 118.30 1gdi h GLU 35 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1gdi h GLU 35 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1gdi h GLU 35 CO 0.01 0.59 -1.55 0.82 -1.00 0.00 0.00 179.01 177.88 1gdi h ILE 36 N 0.00 0.98 -2.02 3.13 2.04 -1.30 -3.43 117.51 116.91 1gdi h ILE 36 Ca -0.01 -2.43 -0.49 0.00 1.00 0.00 0.00 64.86 62.94 1gdi h ILE 36 Cb 1.18 2.71 -0.33 0.00 -0.74 0.00 0.00 36.82 39.64 1gdi h ILE 36 CO 0.08 0.76 -0.87 0.00 0.00 0.00 0.00 178.15 178.12 1gdi n ALA 37 N -2.94 1.74 0.10 1.87 0.00 -0.67 -5.01 120.51 115.59 1gdi n ALA 37 Ca -0.25 -2.63 0.19 0.00 0.00 0.00 0.00 53.44 50.75 1gdi n ALA 37 Cb 0.96 -0.93 0.64 0.00 0.00 0.00 0.00 19.45 20.12 1gdi n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gdi h PRO 38 N 5.42 0.00 0.00 0.00 0.13 -1.45 -1.36 132.00 134.75 1gdi h PRO 38 Ca 0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.30 1gdi h PRO 38 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1gdi h PRO 38 CO 0.29 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 177.87 1gdi h ALA 39 N 1.15 1.16 0.00 -0.56 0.00 -1.94 -2.51 119.26 116.56 1gdi h ALA 39 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gdi h ALA 39 Cb 1.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1gdi h ALA 39 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1gdi n ALA 40 N -2.27 1.50 -0.09 0.00 0.00 -0.51 -3.51 120.51 115.62 1gdi n ALA 40 Ca -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 1gdi n ALA 40 Cb 0.34 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1gdi n ALA 40 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1gdi h LYS 41 N 0.00 -0.05 0.00 0.00 3.64 -1.64 -0.86 116.57 117.66 1gdi h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gdi h LYS 41 Cb 0.26 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1gdi h LYS 41 CO 0.00 -0.03 0.06 -0.25 -2.27 0.00 0.00 179.45 176.96 1gdi n ASP 42 N -5.31 0.44 0.14 4.20 8.00 -1.23 -1.93 116.55 120.87 1gdi n ASP 42 Ca 0.01 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.31 1gdi n ASP 42 Cb 0.22 -0.72 0.24 0.00 -0.02 0.00 0.00 41.12 40.84 1gdi n ASP 42 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1gdi h LEU 43 N 0.00 0.00 -8.53 0.64 3.38 -1.40 -3.45 115.31 105.95 1gdi h LEU 43 Ca 0.00 -0.03 -0.70 0.00 0.09 0.00 0.00 57.88 57.24 1gdi h LEU 43 Cb 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.68 1gdi h LEU 43 CO 0.00 0.02 -0.30 -0.36 0.09 0.00 0.00 178.44 177.88 1gdi s PHE 44 N -3.18 3.20 0.27 1.13 0.08 -0.81 -5.00 117.98 113.67 1gdi s PHE 44 Ca 0.07 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 1gdi s PHE 44 Cb 0.09 -2.76 0.59 0.00 -0.57 0.00 0.00 43.02 40.37 1gdi s PHE 44 CO 0.66 -0.65 1.69 0.66 -0.10 0.00 0.00 175.22 177.49 1gdi h SER 45 N 8.68 0.14 -0.10 1.36 4.64 -1.86 0.11 113.55 126.51 1gdi h SER 45 Ca -0.27 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1gdi h SER 45 Cb 1.12 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1gdi h SER 45 CO 0.76 -0.03 0.00 2.22 -0.87 0.00 0.00 176.83 178.92 1gdi n PHE 46 N -5.12 0.12 -0.08 4.77 1.16 -1.26 -3.78 117.46 113.28 1gdi n PHE 46 Ca 0.18 -0.06 -0.11 0.00 -1.87 0.00 0.00 57.45 55.59 1gdi n PHE 46 Cb 0.55 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.33 1gdi n PHE 46 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1gdi n LEU 47 N 0.18 2.14 -4.63 5.98 4.77 0.23 -4.84 117.00 120.83 1gdi n LEU 47 Ca 0.17 -0.07 -0.44 0.00 -0.03 0.00 0.00 56.01 55.64 1gdi n LEU 47 Cb 0.32 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1gdi n LEU 47 CO 0.14 0.67 0.74 0.29 -1.33 0.00 0.00 177.39 177.91 1gdi n LYS 48 N -2.87 1.67 -1.15 3.23 5.02 -0.34 -2.63 118.16 121.08 1gdi n LYS 48 Ca -0.29 0.59 -0.05 0.00 -2.02 0.00 0.00 58.31 56.54 1gdi n LYS 48 Cb 0.87 -2.07 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1gdi n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gdi n GLY 49 N 1.26 0.74 3.81 0.72 0.00 -1.26 -5.01 105.19 105.45 1gdi n GLY 49 Ca 0.09 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1gdi n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gdi s THR 50 N -2.00 3.26 -0.13 2.61 -4.23 -1.08 -5.08 115.64 108.99 1gdi s THR 50 Ca 0.00 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 58.90 1gdi s THR 50 Cb 0.00 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1gdi s THR 50 CO 0.00 -0.16 -0.24 -1.54 -0.54 0.00 0.00 174.62 172.14 1gdi n SER 51 N -1.30 1.49 -4.76 3.99 3.41 -1.26 -5.00 113.62 110.19 1gdi n SER 51 Ca -0.02 0.34 -0.22 0.00 -0.26 0.00 0.00 58.87 58.71 1gdi n SER 51 Cb 0.60 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1gdi n SER 51 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1gdi s GLU 52 N -2.36 2.63 0.06 4.33 2.02 -1.26 -5.08 118.70 119.04 1gdi s GLU 52 Ca -0.20 -1.26 -0.31 0.00 0.02 0.00 0.00 54.97 53.23 1gdi s GLU 52 Cb 0.03 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.80 1gdi s GLU 52 CO 0.29 0.32 1.66 0.08 0.02 0.00 0.00 175.26 177.63 1gdi s VAL 53 N -2.25 3.08 0.40 2.63 1.01 -1.26 -4.92 120.40 119.09 1gdi s VAL 53 Ca 0.34 0.50 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 1gdi s VAL 53 Cb -0.06 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 1gdi s VAL 53 CO 0.23 -0.01 1.00 -0.81 0.00 0.00 0.00 175.10 175.52 1gdi n PRO 54 N 5.74 1.34 -0.04 2.72 -0.04 -1.26 -4.91 135.00 138.55 1gdi n PRO 54 Ca 0.16 0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1gdi n PRO 54 Cb 0.41 -2.01 -0.14 0.00 -0.04 0.00 0.00 33.50 31.72 1gdi n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gdi n GLN 55 N 0.24 0.67 -2.96 0.54 0.00 -1.26 -4.68 117.38 109.94 1gdi n GLN 55 Ca 0.09 0.22 -0.24 0.00 0.00 0.00 0.00 57.00 57.07 1gdi n GLN 55 Cb 0.38 -1.70 -0.03 0.00 0.00 0.00 0.00 30.24 28.89 1gdi n GLN 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1gdi n ASN 56 N -3.08 3.37 -4.64 2.61 4.13 -1.26 -4.87 115.26 111.52 1gdi n ASN 56 Ca -0.25 -3.46 -0.36 0.00 1.68 0.00 0.00 54.58 52.19 1gdi n ASN 56 Cb 1.07 -0.57 -0.10 0.00 -1.54 0.00 0.00 39.78 38.65 1gdi n ASN 56 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1gdi s ASN 57 N -3.18 5.92 0.41 6.41 3.84 -1.26 -5.00 114.94 122.08 1gdi s ASN 57 Ca 0.45 0.09 0.19 0.00 0.21 0.00 0.00 52.86 53.80 1gdi s ASN 57 Cb 0.32 -2.05 0.87 0.00 -0.55 0.00 0.00 41.25 39.83 1gdi s ASN 57 CO -0.12 0.09 1.83 1.55 -2.79 0.00 0.00 177.10 177.67 1gdi h PRO 58 N 7.30 0.00 0.24 0.43 0.13 -1.99 -2.76 132.00 135.36 1gdi h PRO 58 Ca -0.38 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.42 1gdi h PRO 58 Cb 1.17 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.33 1gdi h PRO 58 CO 0.67 0.32 -1.46 0.93 -0.23 0.00 0.00 178.00 178.22 1gdi h GLU 59 N 0.00 0.53 -0.15 0.86 5.08 -1.98 -1.12 114.58 117.80 1gdi h GLU 59 Ca -0.00 -0.90 0.01 0.00 -1.00 0.00 0.00 59.36 57.46 1gdi h GLU 59 Cb 0.71 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1gdi h GLU 59 CO 0.04 1.43 0.09 1.25 -1.00 0.00 0.00 179.01 180.82 1gdi h LEU 60 N 0.15 0.14 0.10 1.33 6.46 -1.91 -1.27 115.31 120.32 1gdi h LEU 60 Ca -0.25 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1gdi h LEU 60 Cb 2.15 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 42.06 1gdi h LEU 60 CO 0.27 0.10 -0.05 1.56 -0.62 0.00 0.00 178.44 179.71 1gdi h GLN 61 N 0.18 -0.13 -0.74 1.25 4.20 -1.52 -2.28 115.11 116.07 1gdi h GLN 61 Ca 0.06 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1gdi h GLN 61 Cb -0.00 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1gdi h GLN 61 CO -0.03 0.14 0.28 0.00 -0.67 0.00 0.00 178.83 178.56 1gdi h ALA 62 N 0.45 1.10 0.80 3.87 0.00 -1.14 -1.94 119.26 122.40 1gdi h ALA 62 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1gdi h ALA 62 Cb 0.34 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gdi h ALA 62 CO 0.02 0.63 -0.38 1.25 0.00 0.00 0.00 179.25 180.77 1gdi h HIS 63 N 1.08 -0.99 -0.16 0.00 -0.00 -1.18 -1.88 115.15 112.02 1gdi h HIS 63 Ca 0.25 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 1gdi h HIS 63 Cb 0.22 0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1gdi h HIS 63 CO 0.02 -0.61 0.11 0.00 -0.00 0.00 0.00 177.93 177.45 1gdi h ALA 64 N -1.21 1.97 -0.28 5.26 0.00 -1.46 -1.90 119.26 121.64 1gdi h ALA 64 Ca -0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1gdi h ALA 64 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gdi h ALA 64 CO 0.18 0.01 -0.58 0.78 0.00 0.00 0.00 179.25 179.64 1gdi h GLY 65 N 0.14 0.96 1.42 0.00 0.00 -1.33 -2.81 103.07 101.46 1gdi h GLY 65 Ca 0.06 -1.15 -0.13 0.00 0.00 0.00 0.00 47.33 46.12 1gdi h GLY 65 CO -0.01 1.03 -0.34 0.50 0.00 0.00 0.00 176.54 177.72 1gdi h LYS 66 N 0.66 0.65 -0.09 4.80 1.57 -0.59 -2.74 116.57 120.83 1gdi h LYS 66 Ca 0.01 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1gdi h LYS 66 Cb 1.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1gdi h LYS 66 CO 0.13 0.90 -0.04 0.28 -0.57 0.00 0.00 179.45 180.15 1gdi h VAL 67 N 0.55 0.86 -0.39 0.50 2.07 -1.34 -1.89 116.25 116.61 1gdi h VAL 67 Ca 0.06 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1gdi h VAL 67 Cb 0.85 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1gdi h VAL 67 CO 0.07 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.32 1gdi h PHE 68 N -0.03 0.72 0.00 1.57 -1.00 -1.49 -2.66 116.94 114.05 1gdi h PHE 68 Ca 0.05 -0.11 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 1gdi h PHE 68 Cb 0.11 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1gdi h PHE 68 CO -0.16 0.73 -0.48 -0.22 -1.61 0.00 0.00 178.31 176.57 1gdi h LYS 69 N 0.61 0.00 0.11 1.51 3.64 -1.40 -1.65 116.57 119.39 1gdi h LYS 69 Ca 0.11 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.21 1gdi h LYS 69 Cb 0.51 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1gdi h LYS 69 CO 0.03 0.48 -1.21 1.25 -2.27 0.00 0.00 179.45 177.73 1gdi h LEU 70 N 0.00 0.70 -0.20 5.20 5.85 -1.01 -2.04 115.31 123.80 1gdi h LEU 70 Ca -0.00 -0.66 -0.09 0.00 0.84 0.00 0.00 57.88 57.97 1gdi h LEU 70 Cb 1.08 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1gdi h LEU 70 CO 0.06 1.48 -0.22 0.58 -0.34 0.00 0.00 178.44 180.01 1gdi h VAL 71 N 0.21 1.33 -0.85 1.05 2.07 -1.25 -1.09 116.25 117.72 1gdi h VAL 71 Ca -0.16 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1gdi h VAL 71 Cb 1.89 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 1gdi h VAL 71 CO 0.22 0.43 0.52 0.22 0.02 0.00 0.00 177.57 178.98 1gdi h TYR 72 N 0.18 1.10 0.00 1.57 3.20 -1.39 -2.16 116.97 119.47 1gdi h TYR 72 Ca 0.03 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1gdi h TYR 72 Cb 0.77 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1gdi h TYR 72 CO 0.08 0.72 -0.24 0.93 -1.64 0.00 0.00 178.16 178.01 1gdi h GLU 73 N 1.16 0.00 -0.21 1.82 5.08 -1.17 -2.69 114.58 118.58 1gdi h GLU 73 Ca 0.31 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.46 1gdi h GLU 73 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1gdi h GLU 73 CO -0.06 0.24 -0.67 0.00 -1.00 0.00 0.00 179.01 177.52 1gdi h ALA 74 N 1.76 0.41 -0.18 3.43 0.00 -0.64 -2.69 119.26 121.35 1gdi h ALA 74 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1gdi h ALA 74 Cb 0.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1gdi h ALA 74 CO 0.03 0.69 -0.32 0.00 0.00 0.00 0.00 179.25 179.65 1gdi h ALA 75 N 0.65 1.11 -0.10 0.00 0.00 -1.32 0.30 119.26 119.91 1gdi h ALA 75 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1gdi h ALA 75 Cb 1.29 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1gdi h ALA 75 CO 0.14 0.56 -0.87 0.82 0.00 0.00 0.00 179.25 179.90 1gdi h ILE 76 N 0.32 1.28 -0.48 0.00 1.08 -1.49 -2.10 117.51 116.12 1gdi h ILE 76 Ca 0.04 -2.08 -0.12 0.00 -0.39 0.00 0.00 64.86 62.31 1gdi h ILE 76 Cb 0.73 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.60 1gdi h ILE 76 CO 0.06 0.65 -0.17 -0.61 -0.69 0.00 0.00 178.15 177.39 1gdi h GLN 77 N 0.48 0.94 -0.28 2.37 4.15 -1.20 0.11 115.11 121.67 1gdi h GLN 77 Ca -0.08 -0.37 -0.08 0.00 0.77 0.00 0.00 58.65 58.89 1gdi h GLN 77 Cb 1.51 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.14 1gdi h GLN 77 CO 0.18 1.03 -0.17 -0.07 -1.93 0.00 0.00 178.83 177.87 1gdi h LEU 78 N 0.83 0.49 0.01 -2.39 3.38 -0.91 0.15 115.31 116.88 1gdi h LEU 78 Ca 0.12 -0.14 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1gdi h LEU 78 Cb 0.72 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1gdi h LEU 78 CO 0.06 0.68 -1.11 -0.08 0.09 0.00 0.00 178.44 178.07 1gdi h GLU 79 N 0.46 0.22 0.12 1.13 4.22 -0.88 -2.50 114.58 117.35 1gdi h GLU 79 Ca 0.08 -0.34 -0.23 0.00 0.08 0.00 0.00 59.36 58.95 1gdi h GLU 79 Cb 0.56 0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1gdi h GLU 79 CO 0.04 1.13 -1.10 0.28 -2.18 0.00 0.00 179.01 177.18 1gdi h VAL 80 N 0.08 1.26 0.00 0.32 2.07 -0.60 -3.39 116.25 115.99 1gdi h VAL 80 Ca -0.09 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1gdi h VAL 80 Cb 1.83 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 34.52 1gdi h VAL 80 CO 0.18 0.69 -0.98 0.35 0.02 0.00 0.00 177.57 177.82 1gdi n THR 81 N -4.06 0.00 -0.25 2.57 -2.24 0.51 -5.03 114.28 105.79 1gdi n THR 81 Ca -0.20 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1gdi n THR 81 Cb 0.84 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1gdi n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gdi n GLY 82 N 1.53 1.51 3.28 3.38 0.00 -0.94 -5.01 105.19 108.93 1gdi n GLY 82 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1gdi n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gdi s VAL 83 N -2.89 0.00 -0.27 1.61 -7.23 -1.26 -4.92 120.40 105.45 1gdi s VAL 83 Ca 0.00 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 1gdi s VAL 83 Cb 0.00 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1gdi s VAL 83 CO 0.00 0.00 0.09 -0.69 -0.31 0.00 0.00 175.10 174.19 1gdi s VAL 84 N -3.68 4.40 0.24 1.32 1.01 -1.26 -3.70 120.40 118.74 1gdi s VAL 84 Ca 0.39 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.88 1gdi s VAL 84 Cb 0.04 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1gdi s VAL 84 CO 0.21 0.27 0.87 -0.69 0.00 0.00 0.00 175.10 175.76 1gdi s VAL 85 N 1.62 4.25 -0.35 2.92 1.01 -1.26 -5.05 120.40 123.53 1gdi s VAL 85 Ca 0.06 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 1gdi s VAL 85 Cb -0.16 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1gdi s VAL 85 CO 0.04 0.37 0.90 -0.89 0.00 0.00 0.00 175.10 175.53 1gdi s THR 86 N -1.33 4.63 0.31 3.92 2.01 -1.26 -4.96 115.64 118.96 1gdi s THR 86 Ca 0.42 1.19 0.03 0.00 0.31 0.00 0.00 61.69 63.64 1gdi s THR 86 Cb -0.22 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 1gdi s THR 86 CO 0.27 -0.48 0.14 1.51 -0.69 0.00 0.00 174.62 175.37 1gdi s ASP 87 N 1.82 1.74 0.00 3.53 -4.77 -1.26 -5.02 116.67 112.70 1gdi s ASP 87 Ca 0.37 -1.53 0.00 0.00 -3.30 0.00 0.00 52.55 48.09 1gdi s ASP 87 Cb -0.12 0.32 0.00 0.00 -1.09 0.00 0.00 42.92 42.03 1gdi s ASP 87 CO 0.17 -0.84 0.66 0.00 0.70 0.00 0.00 175.17 175.87 1gdi n ALA 88 N -0.62 0.00 -0.32 2.11 0.00 -1.26 -1.21 120.51 119.21 1gdi n ALA 88 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1gdi n ALA 88 Cb 0.65 0.33 0.18 0.00 0.00 0.00 0.00 19.45 20.62 1gdi n ALA 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1gdi n THR 89 N -2.62 -0.38 0.10 0.00 -1.04 -1.26 0.05 114.28 109.13 1gdi n THR 89 Ca 0.00 2.06 -0.02 0.00 -2.04 0.00 0.00 64.05 64.04 1gdi n THR 89 Cb 0.00 -2.91 0.01 0.00 -1.82 0.00 0.00 70.33 65.61 1gdi n THR 89 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1gdi h LEU 90 N 0.00 0.00 -0.47 -4.42 3.38 -1.53 -0.26 115.31 112.01 1gdi h LEU 90 Ca 0.48 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.29 1gdi h LEU 90 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1gdi h LEU 90 CO -0.91 0.75 -0.50 0.11 0.09 0.00 0.00 178.44 177.99 1gdi h LYS 91 N 0.00 0.70 -0.20 1.13 1.57 0.76 -1.85 116.57 118.68 1gdi h LYS 91 Ca -0.01 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1gdi h LYS 91 Cb 1.48 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1gdi h LYS 91 CO 0.10 1.04 0.12 -0.97 -0.57 0.00 0.00 179.45 179.16 1gdi h ASN 92 N 0.55 0.20 -0.18 0.86 -1.24 -0.87 -2.58 115.58 112.31 1gdi h ASN 92 Ca 0.02 -0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.08 1gdi h ASN 92 Cb 1.06 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 1gdi h ASN 92 CO 0.10 0.14 0.13 -0.07 -1.29 0.00 0.00 177.43 176.45 1gdi h LEU 93 N 0.24 0.02 -0.46 0.34 -0.00 -0.62 -1.61 115.31 113.23 1gdi h LEU 93 Ca 0.07 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.79 1gdi h LEU 93 Cb -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1gdi h LEU 93 CO -0.03 0.01 -0.51 1.23 -0.00 0.00 0.00 178.44 179.14 1gdi h GLY 94 N 0.02 0.77 0.68 0.83 0.00 -0.97 -2.46 103.07 101.94 1gdi h GLY 94 Ca 0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 1gdi h GLY 94 CO -0.00 0.78 -0.27 1.48 0.00 0.00 0.00 176.54 178.53 1gdi h SER 95 N 0.55 0.37 -0.73 0.19 4.64 -1.01 -1.59 113.55 115.98 1gdi h SER 95 Ca 0.02 -0.62 -0.01 0.00 -0.47 0.00 0.00 61.79 60.72 1gdi h SER 95 Cb 1.07 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1gdi h SER 95 CO 0.10 0.92 0.42 -0.37 -0.87 0.00 0.00 176.83 177.04 1gdi h VAL 96 N -0.16 1.22 -0.04 0.95 -1.51 -1.35 0.68 116.25 116.03 1gdi h VAL 96 Ca -0.01 -0.51 -0.07 0.00 -1.23 0.00 0.00 66.70 64.88 1gdi h VAL 96 Cb 0.89 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1gdi h VAL 96 CO 0.06 0.23 -0.29 0.45 -1.23 0.00 0.00 177.57 176.79 1gdi h HIS 97 N 1.00 0.08 0.06 5.19 3.86 -1.35 -2.40 115.15 121.58 1gdi h HIS 97 Ca 0.26 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1gdi h HIS 97 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1gdi h HIS 97 CO -0.01 0.36 -0.03 0.28 0.86 0.00 0.00 177.93 179.40 1gdi h VAL 98 N 0.07 1.21 -0.66 2.45 2.07 0.01 -1.37 116.25 120.02 1gdi h VAL 98 Ca 0.01 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.75 1gdi h VAL 98 Cb 0.55 1.81 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 1gdi h VAL 98 CO 0.04 0.23 0.11 0.28 0.02 0.00 0.00 177.57 178.25 1gdi h SER 99 N -0.49 -0.07 0.63 0.57 0.02 -0.55 -2.42 113.55 111.24 1gdi h SER 99 Ca -0.01 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gdi h SER 99 Cb 0.43 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1gdi h SER 99 CO 0.01 -0.05 0.00 0.29 -1.14 0.00 0.00 176.83 175.95 1gdi n LYS 100 N -5.18 0.06 -0.87 3.45 4.76 -0.94 -4.92 118.16 114.52 1gdi n LYS 100 Ca 0.11 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1gdi n LYS 100 Cb 0.39 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1gdi n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gdi n GLY 101 N 0.14 1.09 3.75 0.72 0.00 -0.91 -4.91 105.19 105.07 1gdi n GLY 101 Ca 0.03 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1gdi n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gdi s VAL 102 N -2.00 4.21 0.24 1.61 1.01 -0.52 -5.05 120.40 119.90 1gdi s VAL 102 Ca 0.00 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.06 1gdi s VAL 102 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1gdi s VAL 102 CO 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.41 1gdi s ALA 103 N -0.98 2.33 0.29 5.51 0.00 -1.26 -4.68 121.76 122.96 1gdi s ALA 103 Ca 0.41 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1gdi s ALA 103 Cb -0.25 -0.15 0.66 0.00 0.00 0.00 0.00 23.12 23.38 1gdi s ALA 103 CO 0.30 0.15 1.77 -0.44 0.00 0.00 0.00 175.76 177.54 1gdi h ASP 104 N 2.43 0.66 0.44 0.00 3.32 -1.99 -0.59 116.42 120.70 1gdi h ASP 104 Ca -0.39 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1gdi h ASP 104 Cb 1.24 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1gdi h ASP 104 CO 0.61 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 178.37 1gdi h ALA 105 N 1.62 1.00 0.00 3.45 0.00 -2.02 -2.80 119.26 120.51 1gdi h ALA 105 Ca 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 1gdi h ALA 105 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1gdi h ALA 105 CO -0.38 0.00 -0.67 0.45 0.00 0.00 0.00 179.25 178.65 1gdi h HIS 106 N 0.00 0.00 -0.82 0.00 3.86 -1.51 -3.39 115.15 113.29 1gdi h HIS 106 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1gdi h HIS 106 Cb 0.22 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 1gdi h HIS 106 CO 0.00 0.67 0.42 0.74 0.86 0.00 0.00 177.93 180.61 1gdi h PHE 107 N 0.00 1.14 0.00 2.45 -1.00 -1.58 -1.17 116.94 116.79 1gdi h PHE 107 Ca -0.01 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 1gdi h PHE 107 Cb 1.19 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 1gdi h PHE 107 CO 0.00 0.81 -0.13 -1.35 -1.61 0.00 0.00 178.31 176.03 1gdi h PRO 108 N 1.15 0.00 -0.36 1.51 0.11 -1.80 -1.23 132.00 131.38 1gdi h PRO 108 Ca 0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1gdi h PRO 108 Cb 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1gdi h PRO 108 CO -0.04 0.13 0.13 0.28 -0.21 0.00 0.00 178.00 178.29 1gdi h VAL 109 N 0.00 1.20 -0.01 3.15 2.07 -1.46 -1.18 116.25 120.02 1gdi h VAL 109 Ca -0.00 -0.63 -0.18 0.00 0.82 0.00 0.00 66.70 66.71 1gdi h VAL 109 Cb 0.32 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1gdi h VAL 109 CO 0.02 0.22 -0.80 0.58 0.02 0.00 0.00 177.57 177.60 1gdi h VAL 110 N 0.43 1.50 0.48 2.57 2.07 -1.57 -2.71 116.25 119.01 1gdi h VAL 110 Ca 0.12 -2.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 1gdi h VAL 110 Cb 0.22 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1gdi h VAL 110 CO -0.01 0.73 -0.23 0.50 0.02 0.00 0.00 177.57 178.59 1gdi h LYS 111 N 0.08 -0.62 0.00 1.57 3.64 -0.98 -1.86 116.57 118.40 1gdi h LYS 111 Ca -0.03 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1gdi h LYS 111 Cb 1.40 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1gdi h LYS 111 CO 0.12 -0.41 -0.09 0.93 -2.27 0.00 0.00 179.45 177.73 1gdi h GLU 112 N -0.66 0.00 -0.06 1.90 4.39 -1.16 -1.87 114.58 117.12 1gdi h GLU 112 Ca -0.07 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.42 1gdi h GLU 112 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1gdi h GLU 112 CO 0.11 0.09 -0.85 0.00 -1.16 0.00 0.00 179.01 177.20 1gdi h ALA 113 N 1.91 0.39 -0.61 3.43 0.00 -1.13 -2.35 119.26 120.90 1gdi h ALA 113 Ca -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1gdi h ALA 113 Cb 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1gdi h ALA 113 CO 0.01 0.75 0.28 0.82 0.00 0.00 0.00 179.25 181.11 1gdi h ILE 114 N 0.34 1.22 -0.42 0.00 2.04 -1.01 -1.85 117.51 117.84 1gdi h ILE 114 Ca -0.06 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.04 1gdi h ILE 114 Cb 1.47 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1gdi h ILE 114 CO 0.16 0.26 -0.19 -0.07 0.00 0.00 0.00 178.15 178.31 1gdi h LEU 115 N 0.83 0.88 -0.66 1.44 3.38 -1.28 -1.13 115.31 118.78 1gdi h LEU 115 Ca 0.21 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1gdi h LEU 115 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1gdi h LEU 115 CO -0.02 1.09 -0.49 0.11 0.09 0.00 0.00 178.44 179.21 1gdi h LYS 116 N 0.68 0.45 0.16 1.13 1.57 -1.46 -2.18 116.57 116.92 1gdi h LYS 116 Ca 0.09 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1gdi h LYS 116 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1gdi h LYS 116 CO 0.06 0.84 -0.08 1.15 -0.57 0.00 0.00 179.45 180.85 1gdi h THR 117 N 0.35 0.93 -0.81 -0.16 2.02 -1.00 -2.69 112.91 111.55 1gdi h THR 117 Ca 0.02 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1gdi h THR 117 Cb 0.99 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1gdi h THR 117 CO 0.09 0.10 0.53 0.40 0.37 0.00 0.00 175.52 177.00 1gdi h ILE 118 N -0.42 1.21 -0.16 3.11 1.08 -1.26 -0.81 117.51 120.26 1gdi h ILE 118 Ca -0.02 -0.40 -0.08 0.00 -0.39 0.00 0.00 64.86 63.97 1gdi h ILE 118 Cb 0.32 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 1gdi h ILE 118 CO 0.04 0.21 -0.26 0.50 -0.69 0.00 0.00 178.15 177.95 1gdi h LYS 119 N 1.11 0.30 0.02 2.37 3.64 -1.25 -1.71 116.57 121.04 1gdi h LYS 119 Ca 0.30 -0.10 -0.20 0.00 -1.27 0.00 0.00 60.65 59.37 1gdi h LYS 119 Cb -0.11 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1gdi h LYS 119 CO -0.06 0.54 -0.94 0.93 -2.27 0.00 0.00 179.45 177.65 1gdi h GLU 120 N 0.27 0.08 0.43 1.90 5.08 -0.87 -2.45 114.58 119.01 1gdi h GLU 120 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1gdi h GLU 120 Cb 0.60 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1gdi h GLU 120 CO 0.04 0.96 -0.21 0.28 -1.00 0.00 0.00 179.01 179.08 1gdi h VAL 121 N 0.04 0.58 0.00 3.13 2.07 -0.33 -3.21 116.25 118.52 1gdi h VAL 121 Ca -0.03 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.26 1gdi h VAL 121 Cb 1.63 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1gdi h VAL 121 CO 0.13 0.01 -0.77 -0.37 0.02 0.00 0.00 177.57 176.60 1gdi h VAL 122 N -0.62 1.42 0.00 2.57 -1.51 -1.48 -3.49 116.25 113.14 1gdi h VAL 122 Ca -0.06 -2.74 0.00 0.00 -1.23 0.00 0.00 66.70 62.67 1gdi h VAL 122 Cb 0.47 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1gdi h VAL 122 CO 0.10 0.75 0.00 0.61 -1.23 0.00 0.00 177.57 177.80 1gdi n GLY 123 N 0.98 3.76 0.19 5.19 0.00 -0.92 -2.57 105.19 111.81 1gdi n GLY 123 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1gdi n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdi h ALA 124 N -0.73 1.00 0.00 4.61 0.00 -1.93 -1.71 119.26 120.50 1gdi h ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gdi h ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gdi h ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1gdi n LYS 125 N -2.49 0.98 -2.46 0.00 5.02 -1.06 -4.91 118.16 113.24 1gdi n LYS 125 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1gdi n LYS 125 Cb 0.17 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1gdi n LYS 125 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1gdi s TRP 126 N -2.00 3.56 0.20 2.13 -0.00 -0.65 -5.02 118.94 117.17 1gdi s TRP 126 Ca 0.37 1.67 0.02 0.00 -0.00 0.00 0.00 56.10 58.16 1gdi s TRP 126 Cb 0.17 -3.30 -0.05 0.00 -0.00 0.00 0.00 33.47 30.29 1gdi s TRP 126 CO 0.28 -0.63 0.01 -1.54 -0.00 0.00 0.00 176.95 175.08 1gdi s SER 127 N -0.75 1.38 0.28 5.86 1.04 -1.26 -5.04 113.70 115.20 1gdi s SER 127 Ca 0.45 -1.21 0.09 0.00 0.48 0.00 0.00 55.95 55.76 1gdi s SER 127 Cb -0.32 0.09 0.37 0.00 0.10 0.00 0.00 66.02 66.26 1gdi s SER 127 CO 0.41 -0.57 1.62 -0.33 0.98 0.00 0.00 173.24 175.35 1gdi h GLU 128 N 2.59 0.05 -0.35 4.02 5.08 -1.99 -1.92 114.58 122.05 1gdi h GLU 128 Ca -0.37 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 1gdi h GLU 128 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1gdi h GLU 128 CO 0.63 0.62 -0.17 1.49 -1.00 0.00 0.00 179.01 180.58 1gdi h GLU 129 N 0.04 0.65 -0.06 2.33 4.57 -1.99 -1.68 114.58 118.44 1gdi h GLU 129 Ca -0.01 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 1gdi h GLU 129 Cb 1.05 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1gdi h GLU 129 CO 0.08 0.79 -0.31 1.25 -1.18 0.00 0.00 179.01 179.64 1gdi h LEU 130 N 0.58 0.38 -0.49 1.64 5.85 -1.89 -2.69 115.31 118.69 1gdi h LEU 130 Ca 0.09 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1gdi h LEU 130 Cb 0.62 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1gdi h LEU 130 CO 0.04 0.97 0.29 -1.13 -0.34 0.00 0.00 178.44 178.28 1gdi h ASN 131 N -0.18 0.48 1.41 1.25 -0.73 -1.22 -2.11 115.58 114.47 1gdi h ASN 131 Ca -0.02 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 1gdi h ASN 131 Cb 0.96 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.45 1gdi h ASN 131 CO 0.06 0.34 -0.09 0.77 -0.37 0.00 0.00 177.43 178.15 1gdi h SER 132 N 0.59 0.00 -0.04 1.15 4.64 -1.39 -1.03 113.55 117.47 1gdi h SER 132 Ca 0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1gdi h SER 132 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1gdi h SER 132 CO -0.09 0.09 -0.09 0.00 -0.87 0.00 0.00 176.83 175.87 1gdi h ALA 133 N 1.91 0.07 -0.35 5.18 0.00 -1.05 -1.82 119.26 123.21 1gdi h ALA 133 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1gdi h ALA 133 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1gdi h ALA 133 CO 0.01 -0.08 0.14 -1.49 0.00 0.00 0.00 179.25 177.84 1gdi h TRP 134 N -0.39 0.53 -0.18 0.00 4.06 -1.25 -2.53 115.95 116.19 1gdi h TRP 134 Ca 0.00 -0.04 0.05 0.00 2.06 0.00 0.00 58.89 60.96 1gdi h TRP 134 Cb 0.67 -0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.62 1gdi h TRP 134 CO 0.12 0.49 -0.14 1.15 -3.56 0.00 0.00 178.44 176.50 1gdi h THR 135 N 0.41 0.61 0.01 1.49 2.02 -1.12 -1.55 112.91 114.79 1gdi h THR 135 Ca 0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1gdi h THR 135 Cb 0.18 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1gdi h THR 135 CO -0.01 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 176.22 1gdi h ILE 136 N -0.14 0.85 -0.72 3.11 2.04 -1.29 -1.63 117.51 119.74 1gdi h ILE 136 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1gdi h ILE 136 Cb 0.30 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1gdi h ILE 136 CO -0.27 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.29 1gdi h ALA 137 N 0.88 0.92 0.64 1.87 0.00 -1.31 -1.21 119.26 121.05 1gdi h ALA 137 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gdi h ALA 137 Cb 0.13 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1gdi h ALA 137 CO -0.06 0.42 -0.31 -0.92 0.00 0.00 0.00 179.25 178.39 1gdi h TYR 138 N 0.99 -0.80 -1.04 0.00 3.20 -1.14 -1.72 116.97 116.46 1gdi h TYR 138 Ca 0.25 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 62.38 1gdi h TYR 138 Cb 0.01 0.26 -0.11 0.00 1.54 0.00 0.00 36.73 38.44 1gdi h TYR 138 CO -0.01 -0.49 0.65 -0.44 -1.64 0.00 0.00 178.16 176.23 1gdi h ASP 139 N -0.86 0.52 -0.04 -2.11 5.19 -1.01 -0.07 116.42 118.04 1gdi h ASP 139 Ca -0.09 0.11 -0.19 0.00 -0.62 0.00 0.00 57.03 56.24 1gdi h ASP 139 Cb 0.66 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1gdi h ASP 139 CO 0.14 0.07 -0.65 -0.33 -3.12 0.00 0.00 179.24 175.35 1gdi h GLU 140 N 0.44 0.66 -0.21 3.56 4.39 -1.18 -2.86 114.58 119.37 1gdi h GLU 140 Ca 0.63 -0.47 -0.18 0.00 0.34 0.00 0.00 59.36 59.67 1gdi h GLU 140 Cb 1.48 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1gdi h GLU 140 CO -0.38 1.09 -0.58 1.25 -1.16 0.00 0.00 179.01 179.24 1gdi h LEU 141 N 0.48 0.88 -2.01 1.33 5.85 -0.74 -3.17 115.31 117.92 1gdi h LEU 141 Ca -0.02 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1gdi h LEU 141 Cb 1.24 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1gdi h LEU 141 CO 0.13 1.30 -0.09 0.00 -0.34 0.00 0.00 178.44 179.43 1gdi h ALA 142 N 0.60 1.50 -0.23 1.25 0.00 -1.05 -2.16 119.26 119.17 1gdi h ALA 142 Ca -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1gdi h ALA 142 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1gdi h ALA 142 CO 0.13 0.12 -0.25 0.82 0.00 0.00 0.00 179.25 180.06 1gdi h ILE 143 N 0.00 1.32 -0.33 0.00 2.04 -1.48 -0.20 117.51 118.86 1gdi h ILE 143 Ca -0.00 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.31 1gdi h ILE 143 Cb 0.21 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1gdi h ILE 143 CO 0.01 0.44 -0.28 0.58 0.00 0.00 0.00 178.15 178.91 1gdi h VAL 144 N 0.27 1.28 0.25 1.67 2.07 -1.46 -2.54 116.25 117.79 1gdi h VAL 144 Ca 0.03 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1gdi h VAL 144 Cb 0.82 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1gdi h VAL 144 CO 0.06 0.46 -0.12 0.40 0.02 0.00 0.00 177.57 178.39 1gdi h ILE 145 N 0.59 0.74 -0.55 4.57 2.04 -1.26 -2.59 117.51 121.04 1gdi h ILE 145 Ca 0.07 -0.82 0.16 0.00 1.00 0.00 0.00 64.86 65.27 1gdi h ILE 145 Cb 0.78 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1gdi h ILE 145 CO 0.06 0.15 0.42 0.11 0.00 0.00 0.00 178.15 178.90 1gdi h LYS 146 N -0.81 0.00 -0.20 2.37 1.57 -1.09 0.86 116.57 119.27 1gdi h LYS 146 Ca -0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1gdi h LYS 146 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1gdi h LYS 146 CO 0.06 0.00 -0.16 -0.22 -0.57 0.00 0.00 179.45 178.55 1gdi h LYS 147 N 0.00 0.47 -0.05 3.15 3.64 -1.41 -2.61 116.57 119.75 1gdi h LYS 147 Ca 0.26 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1gdi h LYS 147 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1gdi h LYS 147 CO -0.00 0.80 -0.57 0.93 -2.27 0.00 0.00 179.45 178.33 1gdi h GLU 148 N 0.14 0.16 0.29 1.90 4.39 -0.48 -2.68 114.58 118.31 1gdi h GLU 148 Ca 0.04 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1gdi h GLU 148 Cb 0.69 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1gdi h GLU 148 CO 0.04 0.69 -0.14 0.52 -1.16 0.00 0.00 179.01 178.96 1gdi h MET 149 N 0.12 -0.38 -0.05 2.33 2.86 -1.22 -3.24 114.93 115.35 1gdi h MET 149 Ca -0.00 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1gdi h MET 149 Cb 1.05 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1gdi h MET 149 CO 0.08 -0.22 -0.15 -0.44 1.06 0.00 0.00 176.91 177.24 1gdi h ASP 150 N -0.43 0.07 -0.56 1.22 5.19 -1.45 -0.52 116.42 119.93 1gdi h ASP 150 Ca -0.04 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.26 1gdi h ASP 150 Cb 0.33 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1gdi h ASP 150 CO 0.07 0.23 -0.02 0.44 -3.12 0.00 0.00 179.24 176.84 1gdi h ASP 151 N 0.07 0.99 1.46 6.45 3.32 -1.50 -3.04 116.42 124.17 1gdi h ASP 151 Ca 0.01 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1gdi h ASP 151 Cb 0.32 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1gdi h ASP 151 CO 0.02 1.06 -0.46 0.00 -1.72 0.00 0.00 179.24 178.14 1gdi h ALA 152 N 0.96 0.76 0.00 3.45 0.00 -1.60 -3.53 119.26 119.30 1gdi h ALA 152 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gdi h ALA 152 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1gdi h ALA 152 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28