#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg0 s SER 26 N 0.00 5.24 0.47 4.38 0.15 -1.26 -4.92 113.70 117.76 1rg0 s SER 26 Ca 0.00 -0.67 0.15 0.00 0.70 0.00 0.00 55.95 56.13 1rg0 s SER 26 Cb 0.00 -1.91 1.14 0.00 -1.71 0.00 0.00 66.02 63.53 1rg0 s SER 26 CO 0.00 -0.19 2.06 -0.33 1.20 0.00 0.00 173.24 175.97 1rg0 h GLU 27 N 8.26 0.23 -0.75 5.44 4.39 -1.99 -1.37 114.58 128.80 1rg0 h GLU 27 Ca -0.32 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 1rg0 h GLU 27 Cb 1.13 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1rg0 h GLU 27 CO 0.61 0.15 0.25 0.35 -1.16 0.00 0.00 179.01 179.20 1rg0 h PHE 28 N 0.23 1.20 -0.34 4.33 3.57 -1.99 0.41 116.94 124.35 1rg0 h PHE 28 Ca 0.15 -0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 1rg0 h PHE 28 Cb 0.30 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1rg0 h PHE 28 CO -0.00 0.94 -0.28 0.00 -2.23 0.00 0.00 178.31 176.74 1rg0 h ALA 29 N 1.13 0.87 -0.51 2.41 0.00 -1.71 -2.69 119.26 118.76 1rg0 h ALA 29 Ca 0.24 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1rg0 h ALA 29 Cb 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rg0 h ALA 29 CO -0.01 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.18 1rg0 h ARG 30 N 0.61 0.60 -0.65 0.00 3.08 -0.73 -1.81 114.38 115.47 1rg0 h ARG 30 Ca 0.08 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1rg0 h ARG 30 Cb 0.79 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1rg0 h ARG 30 CO 0.06 0.40 0.43 0.00 -1.07 0.00 0.00 179.97 179.79 1rg0 h ALA 31 N 1.23 1.69 -0.61 0.04 0.00 -0.82 -1.85 119.26 118.93 1rg0 h ALA 31 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1rg0 h ALA 31 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1rg0 h ALA 31 CO -0.09 0.23 0.02 1.96 0.00 0.00 0.00 179.25 181.37 1rg0 h GLN 32 N 0.73 1.07 -0.22 0.00 4.20 -0.99 -2.42 115.11 117.47 1rg0 h GLN 32 Ca 0.27 -0.33 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1rg0 h GLN 32 Cb 0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1rg0 h GLN 32 CO -0.08 1.03 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.64 1rg0 h LEU 33 N 0.97 0.55 -1.54 1.46 3.38 -1.39 -2.49 115.31 116.24 1rg0 h LEU 33 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1rg0 h LEU 33 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1rg0 h LEU 33 CO 0.03 0.89 0.04 0.28 0.09 0.00 0.00 178.44 179.77 1rg0 h SER 34 N 0.43 0.30 -0.48 -0.43 0.02 -1.17 -1.03 113.55 111.19 1rg0 h SER 34 Ca 0.04 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1rg0 h SER 34 Cb 0.89 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1rg0 h SER 34 CO 0.08 0.33 -0.05 -0.08 -1.14 0.00 0.00 176.83 175.96 1rg0 h GLU 35 N 0.33 0.93 -0.43 3.45 4.81 -0.96 -2.02 114.58 120.69 1rg0 h GLU 35 Ca 0.08 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1rg0 h GLU 35 Cb 0.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1rg0 h GLU 35 CO -0.00 0.95 0.25 0.00 -0.73 0.00 0.00 179.01 179.48 1rg0 h ALA 36 N 1.09 0.55 -0.11 2.92 0.00 -1.25 -0.37 119.26 122.08 1rg0 h ALA 36 Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1rg0 h ALA 36 Cb 0.57 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1rg0 h ALA 36 CO 0.03 0.05 -0.17 1.98 0.00 0.00 0.00 179.25 181.14 1rg0 h MET 37 N 0.56 -0.21 0.25 0.00 1.85 -1.10 0.23 114.93 116.51 1rg0 h MET 37 Ca 0.15 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1rg0 h MET 37 Cb 0.01 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1rg0 h MET 37 CO -0.03 -0.14 -0.28 1.15 -0.40 0.00 0.00 176.91 177.21 1rg0 h THR 38 N -0.22 0.41 -0.47 -0.77 2.02 -1.07 0.30 112.91 113.10 1rg0 h THR 38 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1rg0 h THR 38 Cb 0.35 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1rg0 h THR 38 CO -0.24 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.78 1rg0 h LEU 39 N -0.57 0.61 -0.81 2.58 3.38 -0.86 -0.03 115.31 119.61 1rg0 h LEU 39 Ca -0.00 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1rg0 h LEU 39 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1rg0 h LEU 39 CO -0.08 0.54 -0.43 0.00 0.09 0.00 0.00 178.44 178.57 1rg0 h ALA 40 N 1.55 0.95 0.00 1.53 0.00 -0.14 -3.19 119.26 119.95 1rg0 h ALA 40 Ca 0.16 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1rg0 h ALA 40 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1rg0 h ALA 40 CO -0.02 0.53 -0.74 0.77 0.00 0.00 0.00 179.25 179.79 1rg0 h SER 41 N 0.00 0.00 0.00 0.00 0.02 0.15 -3.00 113.55 110.71 1rg0 h SER 41 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rg0 h SER 41 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1rg0 h SER 41 CO 0.06 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 1rg0 n GLY 42 N 0.71 -0.46 0.25 -3.77 0.00 -0.70 -1.70 105.19 99.52 1rg0 n GLY 42 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1rg0 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rg0 n LEU 43 N -0.94 2.46 0.05 0.99 4.77 -1.13 -4.75 117.00 118.44 1rg0 n LEU 43 Ca 0.10 -2.29 -0.19 0.00 -0.03 0.00 0.00 56.01 53.60 1rg0 n LEU 43 Cb 0.04 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1rg0 n LEU 43 CO 0.07 0.61 0.11 0.11 -1.33 0.00 0.00 177.39 176.96 1rg0 h LYS 44 N 0.64 0.64 -0.14 3.23 1.57 -1.47 -2.55 116.57 118.50 1rg0 h LYS 44 Ca 0.00 -0.69 -0.17 0.00 -1.87 0.00 0.00 60.65 57.93 1rg0 h LYS 44 Cb 0.73 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1rg0 h LYS 44 CO 0.02 1.28 -0.61 0.00 -0.57 0.00 0.00 179.45 179.57 1rg0 h THR 45 N 0.37 1.34 0.19 -0.16 1.03 -1.85 -1.59 112.91 112.23 1rg0 h THR 45 Ca -0.12 -1.91 -0.01 0.00 -0.01 0.00 0.00 66.41 64.36 1rg0 h THR 45 Cb 1.66 1.90 0.00 0.00 -1.07 0.00 0.00 68.15 70.64 1rg0 h THR 45 CO 0.19 0.59 -0.09 0.11 -0.01 0.00 0.00 175.52 176.31 1rg0 h LYS 46 N 0.36 -0.25 -0.91 0.00 1.57 -1.88 0.19 116.57 115.65 1rg0 h LYS 46 Ca -0.01 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1rg0 h LYS 46 Cb 1.16 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 1rg0 h LYS 46 CO 0.11 -0.00 0.60 0.28 -0.57 0.00 0.00 179.45 179.86 1rg0 h VAL 47 N -0.48 1.12 -0.52 0.50 2.07 -1.45 -0.00 116.25 117.48 1rg0 h VAL 47 Ca -0.03 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1rg0 h VAL 47 Cb 0.37 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1rg0 h VAL 47 CO 0.04 0.20 0.16 0.77 0.02 0.00 0.00 177.57 178.76 1rg0 h SER 48 N 1.10 0.77 -0.87 0.57 4.64 -1.17 -1.93 113.55 116.65 1rg0 h SER 48 Ca 0.37 -0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1rg0 h SER 48 Cb 0.09 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 1rg0 h SER 48 CO -0.12 0.78 0.55 0.44 -0.87 0.00 0.00 176.83 177.61 1rg0 h ASP 49 N 0.72 0.90 -0.18 4.97 3.45 0.12 -1.78 116.42 124.63 1rg0 h ASP 49 Ca 0.17 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 1rg0 h ASP 49 Cb 0.29 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1rg0 h ASP 49 CO -0.00 0.60 -0.02 0.40 -1.57 0.00 0.00 179.24 178.65 1rg0 h ILE 50 N 1.05 1.27 -0.70 0.35 2.04 -0.64 -0.91 117.51 119.97 1rg0 h ILE 50 Ca 0.36 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1rg0 h ILE 50 Cb 0.08 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 1rg0 h ILE 50 CO -0.14 0.28 0.39 0.15 0.00 0.00 0.00 178.15 178.83 1rg0 h PHE 51 N 0.06 0.72 -0.03 1.37 3.04 -1.24 0.57 116.94 121.43 1rg0 h PHE 51 Ca 0.05 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.91 1rg0 h PHE 51 Cb 0.43 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1rg0 h PHE 51 CO 0.04 0.35 -0.53 0.66 -2.02 0.00 0.00 178.31 176.81 1rg0 h SER 52 N 0.72 0.09 0.05 0.41 4.64 -1.12 -0.15 113.55 118.19 1rg0 h SER 52 Ca 0.31 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.46 1rg0 h SER 52 Cb 0.19 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1rg0 h SER 52 CO -0.18 0.60 -0.64 1.56 -0.87 0.00 0.00 176.83 177.30 1rg0 h GLN 53 N 0.06 0.11 -0.01 4.77 4.20 -0.42 -3.41 115.11 120.41 1rg0 h GLN 53 Ca -0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1rg0 h GLN 53 Cb 0.96 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1rg0 h GLN 53 CO 0.07 1.09 0.00 -0.25 -0.67 0.00 0.00 178.83 179.08 1rg0 n ASP 54 N -4.35 1.39 -1.37 1.46 8.00 0.19 -4.98 116.55 116.90 1rg0 n ASP 54 Ca -0.17 -1.22 -0.17 0.00 0.71 0.00 0.00 54.79 53.95 1rg0 n ASP 54 Cb 0.67 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.70 1rg0 n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rg0 n GLY 55 N 0.19 1.37 3.31 0.44 0.00 -0.07 -4.96 105.19 105.47 1rg0 n GLY 55 Ca 0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1rg0 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rg0 s SER 56 N -2.74 1.99 -0.30 1.61 1.04 -1.26 -4.94 113.70 109.11 1rg0 s SER 56 Ca 0.00 -1.12 -0.08 0.00 0.48 0.00 0.00 55.95 55.23 1rg0 s SER 56 Cb 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.08 1rg0 s SER 56 CO 0.00 -0.39 0.11 0.00 0.98 0.00 0.00 173.24 173.94 1rg0 s PRO 58 N 1.57 3.99 -0.23 0.00 0.04 -1.26 -4.88 135.00 134.24 1rg0 s PRO 58 Ca 0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1rg0 s PRO 58 Cb -0.17 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1rg0 s PRO 58 CO 0.04 -0.28 -0.11 0.00 0.04 0.00 0.00 177.00 176.69 1rg0 s ALA 59 N -1.79 2.57 -0.54 8.56 0.00 -1.26 -2.68 121.76 126.62 1rg0 s ALA 59 Ca 0.62 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1rg0 s ALA 59 Cb -0.20 -1.52 0.49 0.00 0.00 0.00 0.00 23.12 21.90 1rg0 s ALA 59 CO 0.25 -0.74 1.84 0.27 0.00 0.00 0.00 175.76 177.37 1rg0 n ASN 60 N 4.61 6.16 -0.09 0.00 6.94 -1.20 -4.60 115.26 127.08 1rg0 n ASN 60 Ca -0.17 -3.75 0.16 0.00 -0.02 0.00 0.00 54.58 50.79 1rg0 n ASN 60 Cb 0.47 -0.83 0.56 0.00 -2.36 0.00 0.00 39.78 37.62 1rg0 n ASN 60 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1rg0 h THR 61 N 1.18 0.80 -4.01 5.53 1.35 -1.92 -1.68 112.91 114.16 1rg0 h THR 61 Ca 0.55 -0.10 -0.53 0.00 -0.55 0.00 0.00 66.41 65.78 1rg0 h THR 61 Cb 1.36 0.50 -0.23 0.00 -1.73 0.00 0.00 68.15 68.04 1rg0 h THR 61 CO 1.29 0.05 -0.82 0.00 -0.25 0.00 0.00 175.52 175.79 1rg0 s ALA 62 N -5.28 1.61 0.42 6.62 0.00 -1.26 -4.55 121.76 119.32 1rg0 s ALA 62 Ca -0.07 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.55 1rg0 s ALA 62 Cb 0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 23.12 22.98 1rg0 s ALA 62 CO 0.75 0.32 0.95 0.00 0.00 0.00 0.00 175.76 177.78 1rg0 n ALA 63 N 1.42 -0.05 -2.39 0.00 0.00 -1.26 -4.62 120.51 113.62 1rg0 n ALA 63 Ca -0.19 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 1rg0 n ALA 63 Cb 0.54 -2.04 -0.09 0.00 0.00 0.00 0.00 19.45 17.86 1rg0 n ALA 63 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rg0 s THR 64 N -1.30 0.00 -0.74 0.00 -1.32 -0.64 -4.90 115.64 106.75 1rg0 s THR 64 Ca 0.64 -1.89 -0.37 0.00 -1.21 0.00 0.00 61.69 58.86 1rg0 s THR 64 Cb -0.56 -2.46 -0.20 0.00 -1.51 0.00 0.00 72.50 67.77 1rg0 s THR 64 CO 0.57 0.00 2.42 0.00 -2.21 0.00 0.00 174.62 175.40 1rg0 n ALA 65 N -0.32 0.30 0.00 11.08 0.00 -1.26 -0.75 120.51 129.56 1rg0 n ALA 65 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1rg0 n ALA 65 Cb 0.65 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1rg0 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rg0 n GLY 66 N 6.93 3.07 3.22 0.00 0.00 -1.26 -5.02 105.19 112.13 1rg0 n GLY 66 Ca 0.59 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 1rg0 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rg0 s ILE 67 N -1.98 1.97 0.75 -0.61 1.01 0.07 -5.12 121.20 117.28 1rg0 s ILE 67 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 1rg0 s ILE 67 Cb 0.00 -1.69 0.05 0.00 0.01 0.00 0.00 42.46 40.83 1rg0 s ILE 67 CO 0.00 0.54 1.19 -1.61 0.00 0.00 0.00 174.94 175.06 1rg0 s GLU 68 N 0.19 2.05 0.49 2.79 0.41 -1.26 -1.62 118.70 121.75 1rg0 s GLU 68 Ca -0.13 1.69 -0.23 0.00 -0.41 0.00 0.00 54.97 55.89 1rg0 s GLU 68 Cb -0.16 -1.83 -0.07 0.00 -1.78 0.00 0.00 34.13 30.29 1rg0 s GLU 68 CO 0.07 -1.89 1.34 0.21 -0.49 0.00 0.00 175.26 174.49 1rg0 s LYS 69 N -4.04 3.48 0.24 1.61 2.20 -1.26 -4.62 119.74 117.35 1rg0 s LYS 69 Ca 0.73 2.19 -0.07 0.00 -0.36 0.00 0.00 55.97 58.46 1rg0 s LYS 69 Cb -0.27 -2.44 0.43 0.00 -1.51 0.00 0.00 37.83 34.03 1rg0 s LYS 69 CO 0.47 -0.91 1.64 0.38 -0.36 0.00 0.00 175.35 176.57 1rg0 h ASP 70 N 1.92 -0.34 0.69 1.43 -0.00 -1.47 0.25 116.42 118.90 1rg0 h ASP 70 Ca -0.50 0.19 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 1rg0 h ASP 70 Cb 1.28 0.34 0.00 0.00 -0.00 0.00 0.00 39.33 40.95 1rg0 h ASP 70 CO 0.59 -0.18 0.00 0.35 -0.00 0.00 0.00 179.24 180.01 1rg0 n THR 71 N -5.34 0.63 1.58 1.15 -2.24 -1.26 -1.70 114.28 107.10 1rg0 n THR 71 Ca 0.13 0.16 0.15 0.00 -2.27 0.00 0.00 64.05 62.22 1rg0 n THR 71 Cb 0.47 -0.81 0.73 0.00 -2.10 0.00 0.00 70.33 68.61 1rg0 n THR 71 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rg0 n ASP 72 N -1.51 0.33 -4.05 3.42 8.00 0.87 -4.50 116.55 119.12 1rg0 n ASP 72 Ca 0.05 -0.68 -0.33 0.00 0.71 0.00 0.00 54.79 54.54 1rg0 n ASP 72 Cb 0.23 -0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.11 1rg0 n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rg0 s ILE 73 N -2.32 2.87 0.04 0.53 1.01 -0.69 -4.96 121.20 117.69 1rg0 s ILE 73 Ca 0.35 -2.48 -0.00 0.00 0.00 0.00 0.00 60.65 58.52 1rg0 s ILE 73 Cb 0.21 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1rg0 s ILE 73 CO 0.43 -0.70 0.06 -0.46 0.00 0.00 0.00 174.94 174.27 1rg0 n ASN 74 N 4.09 -0.16 -0.65 3.58 0.23 -1.26 -2.69 115.26 118.40 1rg0 n ASN 74 Ca 0.02 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1rg0 n ASN 74 Cb 0.40 0.31 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 1rg0 n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rg0 n GLY 75 N -0.08 1.78 0.19 4.83 0.00 -0.39 -4.94 105.19 106.58 1rg0 n GLY 75 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1rg0 n GLY 75 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rg0 h LYS 76 N 0.00 0.41 -0.01 1.61 3.64 -2.00 -3.24 116.57 116.98 1rg0 h LYS 76 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1rg0 h LYS 76 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1rg0 h LYS 76 CO 0.00 0.27 -0.23 0.66 -2.27 0.00 0.00 179.45 177.88 1rg0 n TYR 77 N -4.93 0.00 -4.37 1.91 4.01 -1.26 -4.97 117.16 107.55 1rg0 n TYR 77 Ca 0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.43 1rg0 n TYR 77 Cb 0.13 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.03 1rg0 n TYR 77 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1rg0 s VAL 78 N -1.44 3.72 -0.08 -0.72 1.01 -1.23 -1.64 120.40 120.03 1rg0 s VAL 78 Ca 0.09 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1rg0 s VAL 78 Cb 0.09 -2.63 -0.29 0.00 0.00 0.00 0.00 36.38 33.54 1rg0 s VAL 78 CO 0.27 0.48 0.78 0.00 0.00 0.00 0.00 175.10 176.64 1rg0 h ALA 79 N 6.94 -0.01 -2.40 5.51 0.00 -1.46 -1.03 119.26 126.81 1rg0 h ALA 79 Ca -0.32 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 53.81 1rg0 h ALA 79 Cb 1.19 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 1rg0 h ALA 79 CO 0.61 0.40 0.22 -1.59 0.00 0.00 0.00 179.25 178.89 1rg0 s LYS 80 N -2.39 1.13 -0.24 0.00 -2.85 -1.15 -4.58 119.74 109.65 1rg0 s LYS 80 Ca -0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 55.97 54.74 1rg0 s LYS 80 Cb 0.01 0.53 0.07 0.00 -2.06 0.00 0.00 37.83 36.37 1rg0 s LYS 80 CO 0.78 -0.42 0.01 0.08 0.10 0.00 0.00 175.35 175.90 1rg0 s VAL 81 N -2.29 1.09 -0.10 1.79 1.01 -0.99 -0.77 120.40 120.14 1rg0 s VAL 81 Ca -0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1rg0 s VAL 81 Cb -0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1rg0 s VAL 81 CO -0.00 -0.26 0.08 -0.89 0.00 0.00 0.00 175.10 174.02 1rg0 s THR 82 N 1.58 4.97 0.17 3.92 2.01 -0.20 -4.22 115.64 123.88 1rg0 s THR 82 Ca -0.01 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1rg0 s THR 82 Cb -0.18 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1rg0 s THR 82 CO -0.10 0.59 0.23 0.42 -0.69 0.00 0.00 174.62 175.06 1rg0 s THR 83 N -0.99 4.91 -1.58 -0.82 -4.23 -1.26 -0.38 115.64 111.29 1rg0 s THR 83 Ca 0.15 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1rg0 s THR 83 Cb -0.12 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1rg0 s THR 83 CO 0.04 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1rg0 n GLY 84 N -0.61 -0.72 0.00 3.99 0.00 -0.11 -3.21 105.19 104.53 1rg0 n GLY 84 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1rg0 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg0 n GLY 85 N 0.00 1.98 3.31 -0.02 0.00 -1.26 -0.17 105.19 109.02 1rg0 n GLY 85 Ca 0.00 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 1rg0 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rg0 s THR 86 N -2.41 3.25 0.35 2.61 2.01 -1.01 -4.83 115.64 115.61 1rg0 s THR 86 Ca 0.00 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1rg0 s THR 86 Cb 0.00 -2.46 -0.11 0.00 0.01 0.00 0.00 72.50 69.95 1rg0 s THR 86 CO 0.00 0.45 1.48 0.00 -0.69 0.00 0.00 174.62 175.86 1rg0 s ALA 87 N 1.29 3.60 0.15 7.40 0.00 -1.26 -4.47 121.76 128.47 1rg0 s ALA 87 Ca 0.03 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 1rg0 s ALA 87 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1rg0 s ALA 87 CO -0.03 -0.98 0.23 0.00 0.00 0.00 0.00 175.76 174.98 1rg0 n ALA 88 N 0.90 -0.29 0.24 0.00 0.00 0.11 -5.00 120.51 116.47 1rg0 n ALA 88 Ca 0.02 -0.64 0.08 0.00 0.00 0.00 0.00 53.44 52.91 1rg0 n ALA 88 Cb 0.39 0.51 0.59 0.00 0.00 0.00 0.00 19.45 20.95 1rg0 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rg0 h ALA 89 N 1.76 1.54 -0.02 0.00 0.00 -2.00 -2.70 119.26 117.83 1rg0 h ALA 89 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rg0 h ALA 89 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rg0 h ALA 89 CO 0.16 0.20 -0.02 -1.13 0.00 0.00 0.00 179.25 178.45 1rg0 n SER 90 N -4.06 2.26 0.00 0.00 3.41 -1.26 -3.20 113.62 110.77 1rg0 n SER 90 Ca -0.02 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1rg0 n SER 90 Cb 0.24 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1rg0 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rg0 n GLY 91 N 1.28 0.34 0.00 5.00 0.00 -1.02 -1.83 105.19 108.96 1rg0 n GLY 91 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1rg0 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg0 n GLY 92 N 0.00 0.88 3.74 -0.02 0.00 -0.64 -0.72 105.19 108.43 1rg0 n GLY 92 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1rg0 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg0 s THR 94 N -0.51 2.65 -0.34 0.00 -4.23 0.76 -0.67 115.64 113.29 1rg0 s THR 94 Ca 0.46 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1rg0 s THR 94 Cb -0.27 -2.07 0.09 0.00 1.34 0.00 0.00 72.50 71.60 1rg0 s THR 94 CO 0.33 0.43 0.06 -0.63 -0.54 0.00 0.00 174.62 174.27 1rg0 s ILE 95 N -0.83 2.62 -0.17 2.99 1.01 -0.53 -0.94 121.20 125.36 1rg0 s ILE 95 Ca 0.13 -2.04 -0.05 0.00 0.00 0.00 0.00 60.65 58.69 1rg0 s ILE 95 Cb -0.10 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1rg0 s ILE 95 CO 0.03 -0.47 0.01 -0.69 0.00 0.00 0.00 174.94 173.81 1rg0 s VAL 96 N 1.04 4.23 -0.09 2.92 1.01 0.49 -1.57 120.40 128.44 1rg0 s VAL 96 Ca 0.05 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1rg0 s VAL 96 Cb -0.20 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1rg0 s VAL 96 CO -0.06 0.47 0.37 0.00 0.00 0.00 0.00 175.10 175.89 1rg0 s ALA 97 N 0.45 3.62 -0.17 5.51 0.00 0.10 -1.03 121.76 130.24 1rg0 s ALA 97 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1rg0 s ALA 97 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 1rg0 s ALA 97 CO 0.02 0.24 -0.09 0.99 0.00 0.00 0.00 175.76 176.92 1rg0 s THR 98 N -0.15 3.19 0.57 0.00 2.01 0.05 -1.54 115.64 119.78 1rg0 s THR 98 Ca 0.21 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 1rg0 s THR 98 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1rg0 s THR 98 CO 0.09 0.48 1.09 -0.04 -0.69 0.00 0.00 174.62 175.55 1rg0 s MET 99 N 0.82 3.31 0.77 4.92 -1.94 -0.84 -1.37 119.30 124.98 1rg0 s MET 99 Ca -0.03 1.41 -0.14 0.00 -1.71 0.00 0.00 55.69 55.22 1rg0 s MET 99 Cb -0.15 -2.02 0.06 0.00 2.01 0.00 0.00 34.83 34.74 1rg0 s MET 99 CO 0.01 -0.85 1.22 0.15 -0.01 0.00 0.00 175.02 175.54 1rg0 s LYS 100 N -3.65 1.83 -0.01 2.03 1.02 -0.65 -3.53 119.74 116.78 1rg0 s LYS 100 Ca 0.68 1.81 0.04 0.00 0.02 0.00 0.00 55.97 58.52 1rg0 s LYS 100 Cb -0.20 -1.79 0.12 0.00 -0.52 0.00 0.00 37.83 35.45 1rg0 s LYS 100 CO 0.31 -2.08 1.03 0.00 -0.92 0.00 0.00 175.35 173.69 1rg0 n ALA 101 N -3.02 2.53 -3.65 5.17 0.00 -1.26 -2.61 120.51 117.67 1rg0 n ALA 101 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1rg0 n ALA 101 Cb 0.50 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 1rg0 n ALA 101 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rg0 s SER 102 N -0.85 -0.01 -0.12 0.00 1.04 -1.26 -4.88 113.70 107.63 1rg0 s SER 102 Ca 0.09 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1rg0 s SER 102 Cb 0.05 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1rg0 s SER 102 CO 0.06 -0.01 0.00 0.47 0.98 0.00 0.00 173.24 174.73 1rg0 n ASP 103 N 0.11 -3.56 -4.37 7.02 10.43 -1.26 -5.02 116.55 119.90 1rg0 n ASP 103 Ca 0.05 0.03 -0.19 0.00 2.57 0.00 0.00 54.79 57.24 1rg0 n ASP 103 Cb 0.57 -1.16 -0.10 0.00 1.84 0.00 0.00 41.12 42.27 1rg0 n ASP 103 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1rg0 s VAL 104 N -1.90 1.69 0.15 2.53 0.11 -1.26 -4.91 120.40 116.81 1rg0 s VAL 104 Ca 0.00 -2.18 -0.33 0.00 -2.93 0.00 0.00 61.98 56.54 1rg0 s VAL 104 Cb 0.00 -2.17 -0.13 0.00 -1.53 0.00 0.00 36.38 32.56 1rg0 s VAL 104 CO 0.00 -0.50 1.69 0.00 -3.33 0.00 0.00 175.10 172.95 1rg0 n ALA 105 N -0.44 1.89 -0.31 1.54 0.00 -1.26 -4.81 120.51 117.12 1rg0 n ALA 105 Ca -0.07 0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.92 1rg0 n ALA 105 Cb 0.61 -2.45 0.40 0.00 0.00 0.00 0.00 19.45 18.01 1rg0 n ALA 105 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rg0 h THR 106 N 3.99 0.72 0.00 0.00 1.35 -1.99 0.52 112.91 117.50 1rg0 h THR 106 Ca -0.45 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1rg0 h THR 106 Cb 1.23 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1rg0 h THR 106 CO 0.92 0.12 0.00 -0.65 -0.25 0.00 0.00 175.52 175.66 1rg0 h PRO 107 N 0.63 0.00 -0.12 4.72 0.11 -2.04 -2.63 132.00 132.68 1rg0 h PRO 107 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1rg0 h PRO 107 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1rg0 h PRO 107 CO -0.28 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.79 1rg0 n LEU 108 N -2.71 3.12 -4.67 2.35 4.77 0.18 -4.83 117.00 115.21 1rg0 n LEU 108 Ca -0.00 -1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 54.44 1rg0 n LEU 108 Cb 0.19 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1rg0 n LEU 108 CO 0.21 0.56 1.38 -0.13 -1.33 0.00 0.00 177.39 178.07 1rg0 s ARG 109 N -1.88 4.18 -1.16 3.23 0.52 -1.00 -2.02 118.95 120.83 1rg0 s ARG 109 Ca 0.31 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1rg0 s ARG 109 Cb 0.21 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.75 1rg0 s ARG 109 CO 0.30 -0.83 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1rg0 n GLY 110 N 4.14 1.18 3.87 -3.53 0.00 -1.07 -4.94 105.19 104.84 1rg0 n GLY 110 Ca 0.17 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1rg0 n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rg0 s LYS 111 N -2.79 3.10 0.14 1.61 -0.14 -0.86 -4.72 119.74 116.08 1rg0 s LYS 111 Ca 0.00 0.62 0.06 0.00 -1.36 0.00 0.00 55.97 55.29 1rg0 s LYS 111 Cb 0.00 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 1rg0 s LYS 111 CO 0.00 -0.90 -0.14 0.95 -0.76 0.00 0.00 175.35 174.50 1rg0 s THR 112 N -3.25 1.36 -0.07 2.17 -4.23 -1.26 -1.99 115.64 108.37 1rg0 s THR 112 Ca 0.57 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1rg0 s THR 112 Cb -0.11 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.11 1rg0 s THR 112 CO 0.53 -0.48 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.86 1rg0 s LEU 113 N -2.65 1.20 -0.12 4.79 0.20 -0.59 -1.97 118.68 119.55 1rg0 s LEU 113 Ca 0.12 -0.19 0.00 0.00 0.69 0.00 0.00 54.13 54.75 1rg0 s LEU 113 Cb -0.03 -0.60 -0.02 0.00 -0.43 0.00 0.00 46.19 45.11 1rg0 s LEU 113 CO 0.03 -0.08 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.99 1rg0 s THR 114 N 1.26 3.07 -0.13 3.68 2.01 -0.65 0.02 115.64 124.89 1rg0 s THR 114 Ca -0.05 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1rg0 s THR 114 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1rg0 s THR 114 CO -0.02 0.53 0.03 -0.76 -0.69 0.00 0.00 174.62 173.71 1rg0 s LEU 115 N 0.25 3.68 -0.08 4.42 1.43 -0.61 -0.78 118.68 126.99 1rg0 s LEU 115 Ca -0.09 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1rg0 s LEU 115 Cb -0.15 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1rg0 s LEU 115 CO 0.05 0.29 -0.00 -0.89 0.23 0.00 0.00 176.35 176.02 1rg0 s THR 116 N -0.31 0.44 0.34 5.49 2.01 -0.66 -1.45 115.64 121.50 1rg0 s THR 116 Ca 0.07 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1rg0 s THR 116 Cb -0.12 -0.59 -0.10 0.00 0.01 0.00 0.00 72.50 71.70 1rg0 s THR 116 CO 0.02 0.26 1.34 -0.22 -0.69 0.00 0.00 174.62 175.32 1rg0 s LEU 117 N 1.95 4.39 0.00 4.42 2.96 0.15 -2.67 118.68 129.88 1rg0 s LEU 117 Ca 0.05 2.75 -0.05 0.00 -0.22 0.00 0.00 54.13 56.66 1rg0 s LEU 117 Cb -0.12 -3.67 0.02 0.00 0.50 0.00 0.00 46.19 42.91 1rg0 s LEU 117 CO -0.06 -0.61 0.44 0.61 -1.32 0.00 0.00 176.35 175.41 1rg0 n GLY 118 N 0.73 1.98 2.77 7.98 0.00 -0.61 -1.63 105.19 116.42 1rg0 n GLY 118 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1rg0 n GLY 118 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rg0 n ASN 119 N -1.63 -3.25 -0.03 1.61 5.15 -1.01 -1.21 115.26 114.89 1rg0 n ASN 119 Ca -0.02 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.08 1rg0 n ASN 119 Cb 0.44 -1.77 0.54 0.00 -0.53 0.00 0.00 39.78 38.45 1rg0 n ASN 119 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rg0 h ALA 120 N 0.00 2.06 -0.51 5.20 0.00 -1.58 -0.19 119.26 124.25 1rg0 h ALA 120 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rg0 h ALA 120 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rg0 h ALA 120 CO 0.00 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 178.68 1rg0 n ASP 121 N -4.46 3.46 -0.03 0.00 3.85 -1.19 -4.54 116.55 113.62 1rg0 n ASP 121 Ca 0.08 -1.97 -0.05 0.00 -0.71 0.00 0.00 54.79 52.14 1rg0 n ASP 121 Cb 0.35 -0.34 -0.02 0.00 -1.35 0.00 0.00 41.12 39.76 1rg0 n ASP 121 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1rg0 n LYS 122 N 1.24 0.14 0.00 0.11 4.01 -0.39 -5.07 118.16 118.20 1rg0 n LYS 122 Ca 0.19 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 1rg0 n LYS 122 Cb 0.55 -0.94 0.00 0.00 -0.51 0.00 0.00 35.03 34.13 1rg0 n LYS 122 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1rg0 n GLY 123 N 2.95 3.09 3.68 0.72 0.00 -0.22 -5.14 105.19 110.27 1rg0 n GLY 123 Ca -0.11 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1rg0 n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rg0 n SER 124 N 0.00 2.92 -4.73 1.61 7.64 -1.26 -4.44 113.62 115.36 1rg0 n SER 124 Ca 0.00 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.60 1rg0 n SER 124 Cb 0.00 -1.45 -0.01 0.00 -1.01 0.00 0.00 64.21 61.74 1rg0 n SER 124 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1rg0 n TYR 125 N 1.93 2.57 -4.43 1.43 0.53 -1.26 -4.72 117.16 113.22 1rg0 n TYR 125 Ca 0.11 0.47 -0.23 0.00 -1.02 0.00 0.00 57.90 57.23 1rg0 n TYR 125 Cb 0.32 -2.48 -0.10 0.00 -1.03 0.00 0.00 39.34 36.05 1rg0 n TYR 125 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1rg0 s THR 126 N -0.85 2.28 -0.18 -0.72 -4.23 -0.35 -4.98 115.64 106.61 1rg0 s THR 126 Ca 0.57 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1rg0 s THR 126 Cb -0.54 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1rg0 s THR 126 CO 0.60 -0.39 -0.09 0.26 -0.54 0.00 0.00 174.62 174.46 1rg0 s TRP 127 N -2.44 2.12 0.14 3.99 0.52 -1.26 -1.57 118.94 120.44 1rg0 s TRP 127 Ca 0.26 -1.37 -0.23 0.00 0.02 0.00 0.00 56.10 54.78 1rg0 s TRP 127 Cb -0.05 -1.51 -0.08 0.00 -1.15 0.00 0.00 33.47 30.69 1rg0 s TRP 127 CO 0.12 -0.69 0.71 0.00 0.02 0.00 0.00 176.95 177.11 1rg0 s ALA 128 N 1.50 3.50 -0.23 0.98 0.00 -1.09 -4.84 121.76 121.57 1rg0 s ALA 128 Ca -0.00 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1rg0 s ALA 128 Cb -0.16 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1rg0 s ALA 128 CO -0.08 0.33 0.15 0.00 0.00 0.00 0.00 175.76 176.16 1rg0 s THR 130 N 0.86 1.14 0.17 0.00 -4.23 0.04 -4.43 115.64 109.19 1rg0 s THR 130 Ca 0.08 -2.02 -0.20 0.00 -1.18 0.00 0.00 61.69 58.37 1rg0 s THR 130 Cb -0.13 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1rg0 s THR 130 CO 0.03 -0.10 0.55 -0.55 -0.54 0.00 0.00 174.62 174.01 1rg0 s SER 131 N -3.43 -0.40 -0.05 3.99 0.15 -1.26 -1.64 113.70 111.06 1rg0 s SER 131 Ca 0.34 -0.24 0.12 0.00 0.70 0.00 0.00 55.95 56.88 1rg0 s SER 131 Cb 0.07 0.58 0.37 0.00 -1.71 0.00 0.00 66.02 65.34 1rg0 s SER 131 CO 0.14 -1.00 1.30 -0.46 1.20 0.00 0.00 173.24 174.41 1rg0 n ASN 132 N -0.35 3.21 -4.90 5.45 0.23 -0.83 -4.97 115.26 113.10 1rg0 n ASN 132 Ca -0.14 -2.29 -0.28 0.00 -0.53 0.00 0.00 54.58 51.34 1rg0 n ASN 132 Cb 0.64 -0.32 0.02 0.00 -2.08 0.00 0.00 39.78 38.03 1rg0 n ASN 132 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rg0 s ALA 133 N -1.52 3.25 0.52 -2.53 0.00 -1.26 -4.88 121.76 115.34 1rg0 s ALA 133 Ca 0.29 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 1rg0 s ALA 133 Cb 0.18 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1rg0 s ALA 133 CO 0.14 -0.66 1.28 0.34 0.00 0.00 0.00 175.76 176.86 1rg0 s ASP 134 N -4.22 5.59 0.48 0.00 2.15 -1.26 -4.90 116.67 114.51 1rg0 s ASP 134 Ca 0.52 2.59 0.18 0.00 0.43 0.00 0.00 52.55 56.27 1rg0 s ASP 134 Cb -0.11 -2.62 1.19 0.00 -0.30 0.00 0.00 42.92 41.08 1rg0 s ASP 134 CO 0.47 -1.34 2.05 0.78 -0.17 0.00 0.00 175.17 176.96 1rg0 h ASN 135 N 1.65 0.00 0.15 -0.34 2.35 -1.96 -2.18 115.58 115.25 1rg0 h ASN 135 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1rg0 h ASN 135 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1rg0 h ASN 135 CO 0.58 0.14 0.00 2.29 -1.65 0.00 0.00 177.43 178.79 1rg0 n LYS 136 N -4.18 0.03 -0.04 0.81 2.85 -1.26 -1.93 118.16 114.45 1rg0 n LYS 136 Ca -0.02 0.33 0.06 0.00 -1.05 0.00 0.00 58.31 57.63 1rg0 n LYS 136 Cb 0.21 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.17 1rg0 n LYS 136 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rg0 n TYR 137 N -1.41 0.10 -4.33 5.58 4.02 -0.82 -4.89 117.16 115.41 1rg0 n TYR 137 Ca 0.02 -0.10 -0.31 0.00 -0.01 0.00 0.00 57.90 57.50 1rg0 n TYR 137 Cb 0.06 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.27 1rg0 n TYR 137 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1rg0 s LEU 138 N -1.02 3.18 0.99 7.72 1.43 -0.81 -4.59 118.68 125.57 1rg0 s LEU 138 Ca 0.17 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1rg0 s LEU 138 Cb 0.11 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.58 1rg0 s LEU 138 CO 0.16 0.23 0.84 -2.65 0.23 0.00 0.00 176.35 175.15 1rg0 n PRO 139 N 1.11 -0.84 -0.03 1.29 -0.02 -1.26 -4.83 135.00 130.42 1rg0 n PRO 139 Ca -0.14 -0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.03 1rg0 n PRO 139 Cb 0.52 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1rg0 n PRO 139 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1rg0 h LYS 140 N -1.96 0.20 0.00 -0.52 3.64 -1.98 -2.29 116.57 113.66 1rg0 h LYS 140 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1rg0 h LYS 140 Cb 1.29 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1rg0 h LYS 140 CO 0.40 0.40 0.04 0.25 -2.27 0.00 0.00 179.45 178.27 1rg0 n THR 141 N -4.83 1.24 0.54 1.00 -2.24 -1.26 -1.88 114.28 106.84 1rg0 n THR 141 Ca -0.06 0.35 0.06 0.00 -2.27 0.00 0.00 64.05 62.13 1rg0 n THR 141 Cb 0.17 -1.35 -0.02 0.00 -2.10 0.00 0.00 70.33 67.03 1rg0 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rg0 s GLN 143 N -1.74 4.59 1.01 0.00 -0.21 -0.79 -4.29 119.66 118.23 1rg0 s GLN 143 Ca 0.08 1.30 -0.13 0.00 0.02 0.00 0.00 55.36 56.63 1rg0 s GLN 143 Cb 0.09 -2.90 0.19 0.00 1.00 0.00 0.00 33.01 31.40 1rg0 s GLN 143 CO 0.37 0.34 1.11 0.95 -2.12 0.00 0.00 175.29 175.94 1rg0 s THR 144 N -1.53 1.94 -0.01 -0.19 -4.23 -1.26 -5.08 115.64 105.28 1rg0 s THR 144 Ca 0.48 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 1rg0 s THR 144 Cb -0.20 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 1rg0 s THR 144 CO 0.25 0.00 -0.20 0.00 -0.54 0.00 0.00 174.62 174.13 1rg0 s ALA 145 N -3.09 1.62 -0.14 3.99 0.00 -1.26 -5.06 121.76 117.82 1rg0 s ALA 145 Ca 0.66 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1rg0 s ALA 145 Cb -0.16 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1rg0 s ALA 145 CO 0.56 0.40 -0.17 0.99 0.00 0.00 0.00 175.76 177.53 1rg0 s THR 146 N -0.46 1.76 0.34 0.00 2.01 -1.26 -5.15 115.64 112.88 1rg0 s THR 146 Ca 0.07 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.39 1rg0 s THR 146 Cb -0.08 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 1rg0 s THR 146 CO -0.01 0.49 -0.09 0.42 -0.69 0.00 0.00 174.62 174.75 1rg0 s THR 147 N 1.13 2.15 0.67 -0.82 -4.23 -1.26 -5.16 115.64 108.11 1rg0 s THR 147 Ca -0.02 -2.19 -0.05 0.00 -1.18 0.00 0.00 61.69 58.26 1rg0 s THR 147 Cb -0.14 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1rg0 s THR 147 CO -0.06 -0.21 0.96 0.42 -0.54 0.00 0.00 174.62 175.20 1rg0 s THR 148 N -2.67 2.35 0.06 3.99 -4.23 -1.26 -5.12 115.64 108.77 1rg0 s THR 148 Ca 0.32 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1rg0 s THR 148 Cb 0.03 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 1rg0 s THR 148 CO 0.16 0.00 0.07 0.42 -0.54 0.00 0.00 174.62 174.73 1rg0 s THR 149 N -3.14 0.17 -2.42 3.99 -4.23 -1.26 -5.35 115.64 103.40 1rg0 s THR 149 Ca 0.60 -1.41 0.29 0.00 -1.18 0.00 0.00 61.69 59.98 1rg0 s THR 149 Cb -0.10 -1.29 0.60 0.00 1.34 0.00 0.00 72.50 73.05 1rg0 s THR 149 CO 0.43 -0.78 1.82 -0.81 -0.54 0.00 0.00 174.62 174.74