#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nct s THR 6 N 0.00 2.12 0.21 -5.08 -4.23 -1.26 -4.88 115.64 102.52 3nct s THR 6 Ca 0.00 -0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 3nct s THR 6 Cb 0.00 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 71.07 3nct s THR 6 CO 0.00 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.20 3nct h LEU 7 N -0.99 0.92 -0.93 4.79 5.85 -1.99 -1.27 115.31 121.69 3nct h LEU 7 Ca -0.43 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3nct h LEU 7 Cb 1.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3nct h LEU 7 CO 0.52 0.68 0.33 -1.13 -0.34 0.00 0.00 178.44 178.50 3nct h ASN 8 N 1.07 1.01 -0.58 1.25 -0.73 -1.98 -0.78 115.58 114.83 3nct h ASN 8 Ca 0.28 -0.13 -0.07 0.00 1.87 0.00 0.00 56.30 58.25 3nct h ASN 8 Cb -0.09 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.22 3nct h ASN 8 CO -0.06 0.88 0.10 0.58 -0.37 0.00 0.00 177.43 178.56 3nct h VAL 9 N 1.09 1.26 0.00 2.57 2.07 -1.85 -1.86 116.25 119.52 3nct h VAL 9 Ca 0.26 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3nct h VAL 9 Cb 0.16 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3nct h VAL 9 CO -0.03 0.36 -0.21 -0.07 0.02 0.00 0.00 177.57 177.64 3nct h LEU 10 N 0.85 0.00 0.00 2.57 3.38 -0.77 -3.04 115.31 118.29 3nct h LEU 10 Ca 0.18 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 3nct h LEU 10 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3nct h LEU 10 CO 0.01 0.21 -1.06 1.56 0.09 0.00 0.00 178.44 179.25 3nct h GLN 11 N 0.00 0.00 -3.10 1.13 4.20 -0.86 -3.41 115.11 113.07 3nct h GLN 11 Ca -0.00 0.00 -0.77 0.00 0.06 0.00 0.00 58.65 57.94 3nct h GLN 11 Cb 0.39 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.00 3nct h GLN 11 CO 0.03 0.92 1.86 0.25 -0.67 0.00 0.00 178.83 181.21 3nct n THR 12 N -3.31 4.85 -4.28 -0.54 -2.24 -0.73 -4.51 114.28 103.52 3nct n THR 12 Ca -0.02 -4.74 -0.20 0.00 -2.27 0.00 0.00 64.05 56.83 3nct n THR 12 Cb 0.94 -2.19 -0.08 0.00 -2.10 0.00 0.00 70.33 66.90 3nct n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3nct s ASN 14 N 0.14 1.75 0.18 3.42 4.22 -1.26 -5.10 114.94 118.29 3nct s ASN 14 Ca 0.42 -1.78 -0.13 0.00 -2.14 0.00 0.00 52.86 49.23 3nct s ASN 14 Cb 0.12 0.57 0.17 0.00 1.28 0.00 0.00 41.25 43.39 3nct s ASN 14 CO -0.01 -1.09 1.75 0.00 -2.04 0.00 0.00 177.10 175.71 3nct h ALA 15 N 2.11 0.61 -0.64 3.54 0.00 -1.88 -2.31 119.26 120.69 3nct h ALA 15 Ca -0.24 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3nct h ALA 15 Cb 1.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3nct h ALA 15 CO 0.35 -0.22 0.16 0.37 0.00 0.00 0.00 179.25 179.91 3nct h GLN 16 N 0.35 1.00 0.00 0.00 5.75 -1.92 -2.18 115.11 118.12 3nct h GLN 16 Ca 0.24 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 3nct h GLN 16 Cb 0.25 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3nct h GLN 16 CO -0.24 0.88 -0.30 0.93 -2.65 0.00 0.00 178.83 177.44 3nct h GLU 17 N 0.95 0.00 -0.11 1.69 5.08 -1.88 0.34 114.58 120.66 3nct h GLU 17 Ca 0.20 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3nct h GLU 17 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3nct h GLU 17 CO -0.00 0.30 -0.09 1.88 -1.00 0.00 0.00 179.01 180.10 3nct h TYR 18 N 0.00 0.31 -0.08 4.33 0.05 -1.11 -2.98 116.97 117.48 3nct h TYR 18 Ca -0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3nct h TYR 18 Cb 0.65 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3nct h TYR 18 CO 0.00 0.65 -0.04 0.93 -1.05 0.00 0.00 178.16 178.66 3nct h GLU 19 N -0.12 0.11 -0.59 4.88 4.39 -0.84 -2.73 114.58 119.68 3nct h GLU 19 Ca 0.02 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3nct h GLU 19 Cb 0.59 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3nct h GLU 19 CO 0.02 0.16 0.03 -0.44 -1.16 0.00 0.00 179.01 177.62 3nct h ASP 20 N 0.11 0.99 -0.11 1.42 3.32 -0.31 -0.60 116.42 121.24 3nct h ASP 20 Ca 0.03 -0.29 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 3nct h ASP 20 Cb 0.14 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3nct h ASP 20 CO 0.01 1.04 -0.56 0.40 -1.72 0.00 0.00 179.24 178.41 3nct h ILE 21 N 0.91 1.30 -0.77 0.35 2.04 -1.36 -1.20 117.51 118.78 3nct h ILE 21 Ca 0.17 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.26 3nct h ILE 21 Cb 0.51 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3nct h ILE 21 CO 0.02 0.56 0.51 -0.09 0.00 0.00 0.00 178.15 179.16 3nct h ARG 22 N 0.54 1.01 0.00 2.37 2.43 -1.38 -2.64 114.38 116.70 3nct h ARG 22 Ca 0.01 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3nct h ARG 22 Cb 1.13 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3nct h ARG 22 CO 0.11 0.67 -0.31 0.00 -1.51 0.00 0.00 179.97 178.93 3nct h ALA 23 N 1.29 1.28 -0.07 2.80 0.00 -0.86 -3.02 119.26 120.68 3nct h ALA 23 Ca 0.28 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3nct h ALA 23 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3nct h ALA 23 CO -0.06 0.39 -0.32 0.00 0.00 0.00 0.00 179.25 179.26 3nct h ALA 24 N 1.69 1.35 0.00 0.00 0.00 -0.84 -3.48 119.26 117.97 3nct h ALA 24 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3nct h ALA 24 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3nct h ALA 24 CO 0.04 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3nct n GLY 25 N -0.50 2.85 0.33 0.00 0.00 -1.14 -4.89 105.19 101.83 3nct n GLY 25 Ca -0.02 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 3nct n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3nct h SER 26 N 0.00 1.04 -0.16 1.61 0.87 -1.89 0.39 113.55 115.40 3nct h SER 26 Ca 0.00 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.21 3nct h SER 26 Cb 0.00 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 3nct h SER 26 CO 0.00 0.95 -0.52 0.44 -0.53 0.00 0.00 176.83 177.17 3nct h ASP 27 N 1.08 0.82 -0.39 6.23 5.19 -1.96 -0.92 116.42 126.47 3nct h ASP 27 Ca 0.24 -0.42 -0.07 0.00 -0.62 0.00 0.00 57.03 56.15 3nct h ASP 27 Cb 0.26 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3nct h ASP 27 CO -0.01 1.18 -0.04 -0.33 -3.12 0.00 0.00 179.24 176.92 3nct h GLU 28 N 0.58 0.72 -0.23 3.56 3.07 -1.80 -1.79 114.58 118.69 3nct h GLU 28 Ca 0.02 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.62 3nct h GLU 28 Cb 1.09 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3nct h GLU 28 CO 0.11 0.83 0.08 -0.09 -1.40 0.00 0.00 179.01 178.54 3nct h ARG 29 N 0.53 0.35 -0.58 2.33 2.43 -0.89 -2.37 114.38 116.18 3nct h ARG 29 Ca 0.11 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3nct h ARG 29 Cb 0.53 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.97 3nct h ARG 29 CO 0.03 0.42 0.23 -0.09 -1.51 0.00 0.00 179.97 179.05 3nct h ARG 30 N 0.21 0.41 -0.36 0.20 2.43 -1.10 0.31 114.38 116.48 3nct h ARG 30 Ca 0.08 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3nct h ARG 30 Cb 0.21 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3nct h ARG 30 CO -0.00 0.27 0.05 1.49 -1.51 0.00 0.00 179.97 180.27 3nct h GLU 31 N 0.42 0.16 -0.51 0.20 4.81 -1.22 -1.24 114.58 117.21 3nct h GLU 31 Ca 0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3nct h GLU 31 Cb 0.32 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3nct h GLU 31 CO -0.27 0.10 0.33 1.25 -0.73 0.00 0.00 179.01 179.70 3nct h LEU 32 N 0.16 0.59 -0.47 1.64 5.85 -0.68 -2.12 115.31 120.30 3nct h LEU 32 Ca 0.17 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3nct h LEU 32 Cb 0.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3nct h LEU 32 CO -0.25 0.44 0.28 0.74 -0.34 0.00 0.00 178.44 179.31 3nct h THR 33 N 0.69 1.05 -0.48 1.05 2.02 -0.66 -2.04 112.91 114.53 3nct h THR 33 Ca 0.19 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3nct h THR 33 Cb -0.06 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3nct h THR 33 CO -0.04 0.10 0.08 0.45 0.37 0.00 0.00 175.52 176.48 3nct h HIS 34 N 0.55 0.78 -0.51 3.16 3.86 -1.00 -2.66 115.15 119.33 3nct h HIS 34 Ca 0.19 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 3nct h HIS 34 Cb 0.02 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3nct h HIS 34 CO -0.07 0.68 -0.03 0.00 0.86 0.00 0.00 177.93 179.38 3nct h ALA 35 N 1.37 0.99 0.00 2.45 0.00 -1.09 0.15 119.26 123.13 3nct h ALA 35 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3nct h ALA 35 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3nct h ALA 35 CO 0.00 0.61 0.00 0.28 0.00 0.00 0.00 179.25 180.15 3nct n VAL 36 N -4.19 0.00 0.00 0.00 0.31 -0.79 -3.23 118.33 110.43 3nct n VAL 36 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3nct n VAL 36 Cb 0.33 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 3nct n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3nct n ARG 38 N 0.17 0.00 0.00 5.55 0.63 0.51 -3.40 116.66 120.12 3nct n ARG 38 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 3nct n ARG 38 Cb 0.04 0.00 0.40 0.00 0.45 0.00 0.00 32.46 33.35 3nct n ARG 38 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3nct n GLU 39 N 0.00 0.18 -4.15 -0.14 -0.58 -1.20 -4.91 120.64 109.85 3nct n GLU 39 Ca 0.00 -0.08 -0.25 0.00 -0.42 0.00 0.00 57.16 56.41 3nct n GLU 39 Cb 0.00 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 3nct n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3nct s LEU 40 N -2.88 3.59 -0.21 -4.62 1.43 -1.22 -4.65 118.68 110.13 3nct s LEU 40 Ca 0.16 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3nct s LEU 40 Cb 0.18 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 44.26 3nct s LEU 40 CO 0.61 0.05 -0.12 -1.81 0.23 0.00 0.00 176.35 175.31 3nct s ASP 41 N -3.24 3.62 0.12 2.29 1.01 -1.26 -5.10 116.67 114.11 3nct s ASP 41 Ca 0.30 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 52.28 3nct s ASP 41 Cb -0.09 -1.35 -0.07 0.00 1.01 0.00 0.00 42.92 42.42 3nct s ASP 41 CO 0.22 -0.13 1.15 0.00 0.21 0.00 0.00 175.17 176.61 3nct s ALA 42 N 1.30 3.38 0.77 5.23 0.00 -1.26 -4.78 121.76 126.40 3nct s ALA 42 Ca -0.02 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 3nct s ALA 42 Cb -0.17 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3nct s ALA 42 CO -0.08 -0.32 1.22 -2.30 0.00 0.00 0.00 175.76 174.28 3nct n PRO 43 N 3.07 0.40 -1.71 0.00 -0.02 -1.26 -4.90 135.00 130.58 3nct n PRO 43 Ca 0.06 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 3nct n PRO 43 Cb 0.46 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3nct n PRO 43 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3nct n ASP 44 N -2.94 3.79 0.00 2.55 10.43 -1.26 -1.57 116.55 127.55 3nct n ASP 44 Ca 0.14 1.08 0.00 0.00 2.57 0.00 0.00 54.79 58.58 3nct n ASP 44 Cb 0.50 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.91 3nct n ASP 44 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3nct n ASN 45 N 3.53 -3.50 -4.94 -2.24 4.13 -1.26 -4.99 115.26 105.99 3nct n ASN 45 Ca 0.15 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.14 3nct n ASN 45 Cb 0.34 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 37.09 3nct n ASN 45 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3nct s TRP 46 N -1.83 3.48 0.00 3.10 0.52 -0.61 -2.77 118.94 120.84 3nct s TRP 46 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.25 3nct s TRP 46 Cb 0.00 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 3nct s TRP 46 CO 0.00 0.52 0.00 0.25 0.02 0.00 0.00 176.95 177.74 3nct n THR 47 N -0.44 0.00 0.00 2.01 -2.24 0.01 -4.81 114.28 108.81 3nct n THR 47 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3nct n THR 47 Cb 0.54 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3nct n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3nct n ASN 49 N -0.27 0.00 -4.96 3.42 3.02 -0.59 -1.41 115.26 114.47 3nct n ASN 49 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 3nct n ASN 49 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3nct n ASN 49 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3nct s GLY 50 N 0.00 1.27 -0.12 7.41 0.00 -1.26 -0.22 107.32 114.40 3nct s GLY 50 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.40 3nct s GLY 50 CO 0.00 -1.11 0.55 1.85 0.00 0.00 0.00 173.10 174.39 3nct s GLU 51 N -4.11 4.34 -0.01 2.90 2.12 -0.58 -4.96 118.70 118.40 3nct s GLU 51 Ca 0.37 0.57 0.11 0.00 0.36 0.00 0.00 54.97 56.38 3nct s GLU 51 Cb -0.09 -3.47 -0.15 0.00 0.26 0.00 0.00 34.13 30.68 3nct s GLU 51 CO 0.32 0.06 0.34 0.66 -0.54 0.00 0.00 175.26 176.10 3nct n TYR 52 N 3.97 0.00 0.00 5.30 4.01 -1.26 -4.77 117.16 124.41 3nct n TYR 52 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3nct n TYR 52 Cb 0.51 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3nct n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nct n GLY 53 N 1.60 2.64 0.32 2.72 0.00 -1.26 -4.94 105.19 106.27 3nct n GLY 53 Ca -0.00 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.82 3nct n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nct n SER 54 N 0.00 1.50 0.32 1.61 3.41 -1.26 -4.58 113.62 114.62 3nct n SER 54 Ca 0.00 -2.77 0.20 0.00 -0.26 0.00 0.00 58.87 56.05 3nct n SER 54 Cb 0.00 -0.36 1.06 0.00 -0.26 0.00 0.00 64.21 64.65 3nct n SER 54 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3nct h GLU 55 N 0.13 0.00 -0.37 4.33 9.09 -1.96 -0.14 114.58 125.66 3nct h GLU 55 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3nct h GLU 55 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3nct h GLU 55 CO 0.00 0.01 0.00 1.19 0.05 0.00 0.00 179.01 180.27 3nct n PHE 56 N -3.23 1.16 0.00 2.06 3.72 -1.26 -4.93 117.46 114.98 3nct n PHE 56 Ca -0.02 -0.78 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 3nct n PHE 56 Cb 0.12 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 3nct n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3nct n GLY 57 N -0.01 3.12 2.53 1.37 0.00 -0.07 -4.61 105.19 107.53 3nct n GLY 57 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3nct n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nct n GLY 58 N -1.35 0.23 0.21 -0.02 0.00 -1.24 -4.90 105.19 98.12 3nct n GLY 58 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3nct n GLY 58 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3nct h PHE 59 N 0.00 0.00 -4.26 1.61 0.04 -1.95 -3.44 116.94 108.94 3nct h PHE 59 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 3nct h PHE 59 Cb 0.53 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 38.38 3nct h PHE 59 CO 0.34 0.28 -0.86 -0.06 -0.60 0.00 0.00 178.31 177.40 3nct s PHE 60 N -4.12 1.95 0.28 -0.55 0.08 -1.26 -4.61 117.98 109.74 3nct s PHE 60 Ca -0.02 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.59 3nct s PHE 60 Cb 0.13 -1.27 0.60 0.00 -0.57 0.00 0.00 43.02 41.92 3nct s PHE 60 CO 0.67 -0.09 1.77 -1.35 -0.10 0.00 0.00 175.22 176.12 3nct h PRO 61 N 5.82 0.66 -5.04 0.24 0.11 -1.83 -3.37 132.00 128.60 3nct h PRO 61 Ca -0.37 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 3nct h PRO 61 Cb 1.15 -0.15 -0.33 0.00 0.11 0.00 0.00 31.00 31.78 3nct h PRO 61 CO 0.48 0.43 -0.85 0.08 -0.21 0.00 0.00 178.00 177.93 3nct s VAL 62 N -5.93 1.59 -0.06 3.15 1.01 -1.26 -4.90 120.40 114.00 3nct s VAL 62 Ca -0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3nct s VAL 62 Cb 0.23 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3nct s VAL 62 CO 0.79 0.46 -0.01 -1.58 0.00 0.00 0.00 175.10 174.76 3nct s GLN 63 N 0.41 0.60 -0.13 2.72 0.74 -1.26 -1.14 119.66 121.61 3nct s GLN 63 Ca -0.14 0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.36 3nct s GLN 63 Cb -0.16 -0.87 0.01 0.00 1.10 0.00 0.00 33.01 33.09 3nct s GLN 63 CO 0.06 -0.23 -0.22 0.08 -0.55 0.00 0.00 175.29 174.43 3nct s VAL 64 N 1.63 1.99 -0.04 1.34 1.01 -0.47 -1.53 120.40 124.33 3nct s VAL 64 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3nct s VAL 64 Cb -0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3nct s VAL 64 CO -0.04 0.54 0.08 -0.13 0.00 0.00 0.00 175.10 175.55 3nct s ARG 65 N 0.75 3.13 -0.11 2.72 0.52 0.70 -0.25 118.95 126.40 3nct s ARG 65 Ca -0.09 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 3nct s ARG 65 Cb -0.16 -2.91 0.02 0.00 0.52 0.00 0.00 34.95 32.41 3nct s ARG 65 CO 0.00 0.68 -0.13 -0.06 0.02 0.00 0.00 175.30 175.81 3nct s PHE 66 N -1.10 1.89 -0.06 -0.53 0.08 0.61 -1.55 117.98 117.32 3nct s PHE 66 Ca 0.20 -0.93 0.01 0.00 0.12 0.00 0.00 56.93 56.33 3nct s PHE 66 Cb -0.12 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3nct s PHE 66 CO 0.10 -0.51 -0.08 0.99 -0.10 0.00 0.00 175.22 175.62 3nct s THR 67 N 1.20 0.82 0.83 0.64 2.01 -0.50 -0.79 115.64 119.86 3nct s THR 67 Ca -0.03 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 3nct s THR 67 Cb -0.14 -0.80 0.09 0.00 0.01 0.00 0.00 72.50 71.66 3nct s THR 67 CO -0.04 0.29 1.11 -2.16 -0.69 0.00 0.00 174.62 173.13 3nct s PRO 68 N 0.94 1.73 0.33 4.92 0.04 -1.26 -0.81 135.00 140.89 3nct s PRO 68 Ca -0.10 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.21 3nct s PRO 68 Cb -0.15 -1.83 0.61 0.00 0.04 0.00 0.00 34.50 33.17 3nct s PRO 68 CO 0.00 -2.04 1.96 0.00 0.04 0.00 0.00 177.00 176.97 3nct h ALA 69 N -1.42 1.57 0.00 8.56 0.00 -1.90 -1.69 119.26 124.37 3nct h ALA 69 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3nct h ALA 69 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3nct h ALA 69 CO 0.48 0.35 0.00 1.12 0.00 0.00 0.00 179.25 181.21 3nct h HIS 70 N 0.91 0.00 -2.16 0.00 2.07 -1.92 -3.47 115.15 110.58 3nct h HIS 70 Ca 0.31 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.44 3nct h HIS 70 Cb 0.08 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.00 3nct h HIS 70 CO -0.00 0.00 -0.45 0.39 -3.07 0.00 0.00 177.93 174.80 3nct n GLU 71 N -2.95 -1.46 0.22 5.12 1.02 -0.64 -4.88 120.64 117.09 3nct n GLU 71 Ca 0.02 1.00 0.10 0.00 -0.02 0.00 0.00 57.16 58.26 3nct n GLU 71 Cb 0.40 -5.48 0.49 0.00 -0.02 0.00 0.00 31.44 26.83 3nct n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nct h ARG 72 N 0.00 0.00 -3.47 3.49 3.08 -1.92 -3.46 114.38 112.10 3nct h ARG 72 Ca -0.43 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 3nct h ARG 72 Cb 1.30 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.29 3nct h ARG 72 CO 0.54 0.23 0.02 -0.59 -1.07 0.00 0.00 179.97 179.10 3nct s PHE 73 N -3.74 0.32 0.14 3.04 -0.12 -1.26 -1.45 117.98 114.92 3nct s PHE 73 Ca -0.00 -0.74 -0.10 0.00 -0.05 0.00 0.00 56.93 56.04 3nct s PHE 73 Cb 0.11 0.38 -0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3nct s PHE 73 CO 0.63 -1.18 0.27 -3.38 -0.05 0.00 0.00 175.22 171.52 3nct s HIS 74 N -3.51 0.28 0.07 3.49 -3.43 -0.72 -4.21 115.29 107.25 3nct s HIS 74 Ca 0.20 -0.65 0.06 0.00 -0.80 0.00 0.00 55.06 53.86 3nct s HIS 74 Cb -0.03 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.07 3nct s HIS 74 CO 0.11 -0.68 -0.08 -0.51 -2.00 0.00 0.00 174.74 171.59 3nct s LEU 75 N -2.93 3.14 -0.07 5.38 1.02 0.03 -1.00 118.68 124.24 3nct s LEU 75 Ca 0.13 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 54.01 3nct s LEU 75 Cb 0.03 -1.88 0.02 0.00 0.02 0.00 0.00 46.19 44.38 3nct s LEU 75 CO -0.04 0.21 -0.11 0.00 0.02 0.00 0.00 176.35 176.43 3nct s ALA 76 N -1.16 1.25 -0.25 4.21 0.00 -0.62 -0.29 121.76 124.91 3nct s ALA 76 Ca 0.21 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 3nct s ALA 76 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3nct s ALA 76 CO 0.12 0.03 0.35 -1.17 0.00 0.00 0.00 175.76 175.09 3nct s LEU 77 N 0.84 4.07 -0.18 0.00 2.96 0.65 -1.27 118.68 125.76 3nct s LEU 77 Ca -0.11 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3nct s LEU 77 Cb -0.15 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.14 3nct s LEU 77 CO 0.02 -0.13 -0.19 0.00 -1.32 0.00 0.00 176.35 174.73 3nct s SER 79 N 1.22 4.47 0.84 0.00 1.04 -0.29 -0.58 113.70 120.40 3nct s SER 79 Ca 0.03 1.46 -0.13 0.00 0.48 0.00 0.00 55.95 57.79 3nct s SER 79 Cb -0.14 -2.21 0.05 0.00 0.10 0.00 0.00 66.02 63.82 3nct s SER 79 CO -0.10 -2.00 0.86 -2.65 0.98 0.00 0.00 173.24 170.32 3nct n PRO 80 N -3.47 0.01 -1.22 4.02 -0.02 -1.25 -4.65 135.00 128.42 3nct n PRO 80 Ca 0.07 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3nct n PRO 80 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3nct n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nct n GLY 81 N 0.99 -0.56 0.31 -1.23 0.00 0.09 -4.41 105.19 100.37 3nct n GLY 81 Ca 0.11 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 3nct n GLY 81 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nct h ASP 82 N 0.00 0.99 -0.11 1.61 3.32 -1.88 -3.27 116.42 117.08 3nct h ASP 82 Ca 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 3nct h ASP 82 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3nct h ASP 82 CO 0.00 0.89 -0.29 0.58 -1.72 0.00 0.00 179.24 178.70 3nct h VAL 83 N 1.02 1.39 -3.65 -1.35 2.07 -1.94 -3.46 116.25 110.33 3nct h VAL 83 Ca 0.24 -1.61 -0.32 0.00 0.82 0.00 0.00 66.70 65.83 3nct h VAL 83 Cb 0.22 2.15 -0.31 0.00 -1.52 0.00 0.00 31.29 31.83 3nct h VAL 83 CO -0.02 0.47 -0.74 -0.55 0.02 0.00 0.00 177.57 176.75 3nct s SER 84 N -6.36 0.40 0.42 0.57 0.15 -1.23 -5.02 113.70 102.63 3nct s SER 84 Ca -0.14 -0.04 0.29 0.00 0.70 0.00 0.00 55.95 56.75 3nct s SER 84 Cb 0.05 -0.14 1.06 0.00 -1.71 0.00 0.00 66.02 65.28 3nct s SER 84 CO 0.78 -0.03 1.84 1.56 1.20 0.00 0.00 173.24 178.58 3nct h GLN 85 N 6.69 0.00 -6.03 5.44 1.08 -1.89 0.27 115.11 120.67 3nct h GLN 85 Ca -0.35 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.30 3nct h GLN 85 Cb 1.16 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.43 3nct h GLN 85 CO 0.49 0.00 -0.77 0.14 -0.95 0.00 0.00 178.83 177.74 3nct s VAL 86 N -3.45 2.08 0.27 -0.54 -7.23 -1.26 -4.72 120.40 105.54 3nct s VAL 86 Ca 0.04 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 3nct s VAL 86 Cb 0.09 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 3nct s VAL 86 CO 0.52 -0.38 1.49 0.26 -0.31 0.00 0.00 175.10 176.69 3nct s TRP 87 N -2.34 2.92 -0.08 2.82 0.52 0.42 -3.94 118.94 119.26 3nct s TRP 87 Ca 0.22 0.95 0.02 0.00 0.02 0.00 0.00 56.10 57.32 3nct s TRP 87 Cb -0.05 -3.90 0.01 0.00 -1.15 0.00 0.00 33.47 28.38 3nct s TRP 87 CO 0.10 -2.97 -0.14 0.08 0.02 0.00 0.00 176.95 174.04 3nct s VAL 88 N -0.04 1.30 -0.26 4.03 1.01 0.25 -1.01 120.40 125.69 3nct s VAL 88 Ca 0.60 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 3nct s VAL 88 Cb -0.44 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3nct s VAL 88 CO 0.45 0.40 0.09 -0.22 0.00 0.00 0.00 175.10 175.82 3nct s LEU 89 N 0.74 3.56 0.22 3.92 2.96 -0.11 0.07 118.68 130.03 3nct s LEU 89 Ca -0.13 -0.23 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 3nct s LEU 89 Cb -0.16 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3nct s LEU 89 CO 0.03 -0.05 -0.07 0.68 -1.32 0.00 0.00 176.35 175.62 3nct s VAL 90 N 1.63 3.25 -0.12 1.68 -7.23 -0.39 -1.19 120.40 118.02 3nct s VAL 90 Ca 0.06 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3nct s VAL 90 Cb -0.15 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3nct s VAL 90 CO 0.05 -0.22 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.17 3nct s LEU 91 N -3.17 2.13 -0.22 1.32 0.20 -0.12 -1.58 118.68 117.24 3nct s LEU 91 Ca 0.28 -0.57 0.02 0.00 0.69 0.00 0.00 54.13 54.54 3nct s LEU 91 Cb -0.08 -1.44 0.04 0.00 -0.43 0.00 0.00 46.19 44.29 3nct s LEU 91 CO 0.17 0.12 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.53 3nct s VAL 92 N 0.59 1.89 0.54 1.68 1.01 -0.17 -2.24 120.40 123.70 3nct s VAL 92 Ca -0.13 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 3nct s VAL 92 Cb -0.17 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3nct s VAL 92 CO 0.03 0.18 1.23 0.21 0.00 0.00 0.00 175.10 176.75 3nct s ASN 93 N 1.28 5.48 0.29 3.32 2.47 -0.47 -1.75 114.94 125.56 3nct s ASN 93 Ca -0.03 2.45 -0.30 0.00 0.42 0.00 0.00 52.86 55.40 3nct s ASN 93 Cb -0.17 -2.61 -0.12 0.00 -1.45 0.00 0.00 41.25 36.91 3nct s ASN 93 CO -0.08 -1.40 1.55 0.00 -3.72 0.00 0.00 177.10 173.45 3nct n ALA 94 N -1.16 2.26 -0.27 1.71 0.00 -0.53 -1.22 120.51 121.31 3nct n ALA 94 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3nct n ALA 94 Cb 0.48 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3nct n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nct n GLY 95 N 2.01 1.04 1.58 0.00 0.00 -1.26 -4.44 105.19 104.12 3nct n GLY 95 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3nct n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nct n GLY 96 N -2.00 1.26 3.14 -0.02 0.00 -0.36 -5.01 105.19 102.19 3nct n GLY 96 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3nct n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nct s GLU 97 N -0.47 0.28 0.77 1.61 -6.30 -1.26 -4.26 118.70 109.07 3nct s GLU 97 Ca 0.00 0.55 -0.11 0.00 -2.50 0.00 0.00 54.97 52.91 3nct s GLU 97 Cb 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 34.13 34.16 3nct s GLU 97 CO 0.00 -0.13 1.08 -1.25 0.02 0.00 0.00 175.26 174.98 3nct s PRO 98 N 0.98 2.34 -0.02 4.30 0.04 -1.26 -4.75 135.00 136.63 3nct s PRO 98 Ca -0.07 0.95 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 3nct s PRO 98 Cb -0.08 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3nct s PRO 98 CO -0.07 -1.52 0.13 0.12 0.04 0.00 0.00 177.00 175.70 3nct s PHE 99 N -3.00 -0.03 -0.00 0.56 5.36 -1.26 -1.37 117.98 118.23 3nct s PHE 99 Ca 0.60 0.05 -0.29 0.00 -0.96 0.00 0.00 56.93 56.34 3nct s PHE 99 Cb -0.16 -0.02 0.08 0.00 -0.34 0.00 0.00 43.02 42.58 3nct s PHE 99 CO 0.55 -0.20 0.69 0.00 -1.46 0.00 0.00 175.22 174.81 3nct s ALA 100 N -0.80 -1.74 -0.22 11.12 0.00 -0.95 -5.01 121.76 124.15 3nct s ALA 100 Ca -0.09 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3nct s ALA 100 Cb -0.05 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 3nct s ALA 100 CO 0.01 -0.48 1.19 0.08 0.00 0.00 0.00 175.76 176.56 3nct s VAL 101 N -1.92 4.38 -0.38 0.00 1.01 -1.26 -0.94 120.40 121.29 3nct s VAL 101 Ca -0.06 1.65 0.20 0.00 0.00 0.00 0.00 61.98 63.77 3nct s VAL 101 Cb -0.00 -4.15 -0.28 0.00 0.00 0.00 0.00 36.38 31.95 3nct s VAL 101 CO 0.03 -0.24 0.60 1.33 0.00 0.00 0.00 175.10 176.82 3nct n VAL 102 N 5.56 0.00 -3.63 2.92 0.24 -0.33 -4.98 118.33 118.11 3nct n VAL 102 Ca 0.13 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 3nct n VAL 102 Cb 0.46 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 3nct n VAL 102 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3nct s GLN 103 N -3.23 0.70 0.03 7.34 0.74 -1.17 -4.00 119.66 120.07 3nct s GLN 103 Ca -0.02 0.77 0.07 0.00 0.05 0.00 0.00 55.36 56.23 3nct s GLN 103 Cb 0.14 0.34 -0.02 0.00 1.10 0.00 0.00 33.01 34.57 3nct s GLN 103 CO 0.85 -0.10 -0.21 0.14 -0.55 0.00 0.00 175.29 175.42 3nct s VAL 104 N 0.19 1.65 -0.05 1.34 -7.23 -1.26 -0.94 120.40 114.10 3nct s VAL 104 Ca 0.01 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 3nct s VAL 104 Cb -0.05 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.49 3nct s VAL 104 CO -0.01 0.27 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.87 3nct s GLN 105 N -0.99 1.14 0.15 4.82 -0.21 -0.18 -4.99 119.66 119.40 3nct s GLN 105 Ca 0.08 -0.23 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 3nct s GLN 105 Cb -0.09 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 3nct s GLN 105 CO 0.01 -0.02 1.50 -0.09 -2.12 0.00 0.00 175.29 174.57 3nct h ARG 106 N 7.02 0.95 -5.97 2.91 2.43 -1.94 0.12 114.38 119.90 3nct h ARG 106 Ca -0.35 -0.47 -0.63 0.00 -0.81 0.00 0.00 59.98 57.72 3nct h ARG 106 Cb 1.17 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.42 3nct h ARG 106 CO 0.48 1.13 -0.86 1.03 -1.51 0.00 0.00 179.97 180.24 3nct s ARG 107 N -4.47 1.91 -0.33 0.20 0.52 -1.26 -4.67 118.95 110.84 3nct s ARG 107 Ca -0.11 -0.77 -0.42 0.00 -0.52 0.00 0.00 55.73 53.91 3nct s ARG 107 Cb 0.12 -1.76 -0.17 0.00 0.52 0.00 0.00 34.95 33.65 3nct s ARG 107 CO 0.88 0.41 1.67 0.34 0.02 0.00 0.00 175.30 178.62 3nct n PHE 108 N 2.72 1.91 -3.84 -0.53 7.35 -1.26 -4.92 117.46 118.90 3nct n PHE 108 Ca -0.16 0.75 -0.30 0.00 -0.76 0.00 0.00 57.45 56.98 3nct n PHE 108 Cb 0.52 -2.37 -0.14 0.00 0.35 0.00 0.00 39.48 37.84 3nct n PHE 108 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3nct s ALA 109 N 3.18 2.49 0.04 3.13 0.00 -1.26 -4.78 121.76 124.56 3nct s ALA 109 Ca 1.00 -2.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.13 3nct s ALA 109 Cb -1.21 -1.93 -0.16 0.00 0.00 0.00 0.00 23.12 19.82 3nct s ALA 109 CO 0.70 -1.91 1.47 0.66 0.00 0.00 0.00 175.76 176.67 3nct h SER 110 N 7.07 0.11 -0.50 0.00 4.64 -1.91 -2.72 113.55 120.26 3nct h SER 110 Ca -0.06 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3nct h SER 110 Cb 0.95 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 3nct h SER 110 CO 0.54 0.39 0.20 -0.33 -0.87 0.00 0.00 176.83 176.76 3nct h GLU 111 N -0.16 0.80 -0.64 4.77 5.08 -1.95 -2.31 114.58 120.16 3nct h GLU 111 Ca 0.02 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3nct h GLU 111 Cb 0.33 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3nct h GLU 111 CO 0.00 0.67 0.22 0.00 -1.00 0.00 0.00 179.01 178.90 3nct h ALA 112 N 1.44 0.83 0.07 3.43 0.00 -1.97 -1.82 119.26 121.24 3nct h ALA 112 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3nct h ALA 112 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3nct h ALA 112 CO -0.01 0.48 -0.04 0.28 0.00 0.00 0.00 179.25 179.96 3nct h VAL 113 N 0.91 0.97 -0.65 0.00 2.07 -1.12 -2.32 116.25 116.11 3nct h VAL 113 Ca 0.21 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3nct h VAL 113 Cb 0.26 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3nct h VAL 113 CO -0.01 0.04 0.43 0.28 0.02 0.00 0.00 177.57 178.33 3nct h SER 114 N -0.17 0.67 -0.32 0.57 0.02 -1.31 -1.27 113.55 111.74 3nct h SER 114 Ca -0.01 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3nct h SER 114 Cb 0.14 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3nct h SER 114 CO 0.02 0.46 -0.15 0.45 -1.14 0.00 0.00 176.83 176.47 3nct h HIS 115 N 0.78 0.77 -0.84 3.45 3.86 -1.27 0.62 115.15 122.52 3nct h HIS 115 Ca 0.26 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3nct h HIS 115 Cb 0.08 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 3nct h HIS 115 CO -0.00 0.88 0.49 0.77 0.86 0.00 0.00 177.93 180.93 3nct h SER 116 N 0.44 1.02 -0.19 2.45 0.02 -0.88 0.14 113.55 116.54 3nct h SER 116 Ca 0.07 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3nct h SER 116 Cb 0.67 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3nct h SER 116 CO 0.05 0.80 0.02 -0.07 -1.14 0.00 0.00 176.83 176.49 3nct h LEU 117 N 1.17 0.31 -0.66 5.07 3.38 -1.11 0.18 115.31 123.65 3nct h LEU 117 Ca 0.30 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3nct h LEU 117 Cb -0.02 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3nct h LEU 117 CO -0.05 0.51 0.35 0.00 0.09 0.00 0.00 178.44 179.34 3nct h ALA 118 N 0.82 0.89 -0.14 1.53 0.00 -0.56 0.17 119.26 121.97 3nct h ALA 118 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3nct h ALA 118 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3nct h ALA 118 CO 0.01 0.01 0.07 1.25 0.00 0.00 0.00 179.25 180.58 3nct h LEU 119 N 0.64 0.18 -0.49 0.00 5.85 -0.49 -2.00 115.31 119.01 3nct h LEU 119 Ca 0.30 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3nct h LEU 119 Cb 0.23 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3nct h LEU 119 CO -0.20 0.25 0.04 0.00 -0.34 0.00 0.00 178.44 178.18 3nct h ALA 120 N 0.94 0.49 0.05 1.25 0.00 -0.14 -1.31 119.26 120.55 3nct h ALA 120 Ca 0.05 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3nct h ALA 120 Cb 0.11 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3nct h ALA 120 CO -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 179.25 178.78 3nct h ALA 121 N 1.41 -0.16 -0.46 0.00 0.00 -0.80 -0.32 119.26 118.94 3nct h ALA 121 Ca 0.25 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3nct h ALA 121 Cb 0.36 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3nct h ALA 121 CO -0.37 -0.61 -0.15 0.66 0.00 0.00 0.00 179.25 178.77 3nct h SER 122 N -0.20 0.87 -0.85 0.00 4.64 -1.21 0.15 113.55 116.95 3nct h SER 122 Ca 0.02 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3nct h SER 122 Cb 0.22 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3nct h SER 122 CO -0.06 1.02 0.51 -0.07 -0.87 0.00 0.00 176.83 177.36 3nct h LEU 123 N 0.77 1.03 0.05 5.97 3.38 -1.16 0.18 115.31 125.53 3nct h LEU 123 Ca 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3nct h LEU 123 Cb 0.68 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3nct h LEU 123 CO 0.05 0.80 -0.03 -0.78 0.09 0.00 0.00 178.44 178.57 3nct h ASP 124 N 1.18 -0.06 -0.77 -0.43 3.58 -0.52 -1.13 116.42 118.26 3nct h ASP 124 Ca 0.31 -0.18 0.10 0.00 0.42 0.00 0.00 57.03 57.68 3nct h ASP 124 Cb -0.04 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 40.95 3nct h ASP 124 CO -0.06 0.15 0.41 0.74 -2.88 0.00 0.00 179.24 177.60 3nct h THR 125 N -0.27 0.85 0.00 2.25 2.02 -0.60 -1.14 112.91 116.02 3nct h THR 125 Ca -0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3nct h THR 125 Cb 0.24 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3nct h THR 125 CO 0.01 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3nct n GLN 126 N -4.82 0.55 -1.01 6.66 6.02 0.60 -4.88 117.38 120.50 3nct n GLN 126 Ca 0.13 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3nct n GLN 126 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3nct n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3nct n GLY 127 N 0.26 0.52 3.77 1.08 0.00 -0.43 -5.04 105.19 105.35 3nct n GLY 127 Ca 0.14 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 3nct n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3nct s TYR 128 N -2.00 3.23 0.71 1.61 2.02 -0.48 -5.03 117.35 117.41 3nct s TYR 128 Ca 0.00 1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 58.19 3nct s TYR 128 Cb 0.00 -3.27 0.02 0.00 -0.40 0.00 0.00 41.96 38.31 3nct s TYR 128 CO 0.00 -0.91 1.08 -1.54 -1.57 0.00 0.00 175.55 172.61 3nct s SER 129 N -1.26 4.98 0.23 2.29 1.04 -1.26 -4.70 113.70 115.02 3nct s SER 129 Ca 0.55 1.81 -0.07 0.00 0.48 0.00 0.00 55.95 58.72 3nct s SER 129 Cb -0.27 -2.52 0.30 0.00 0.10 0.00 0.00 66.02 63.62 3nct s SER 129 CO 0.35 -1.71 1.83 0.58 0.98 0.00 0.00 173.24 175.26 3nct h VAL 130 N -0.62 0.99 -0.58 5.02 2.07 -1.98 0.14 116.25 121.29 3nct h VAL 130 Ca -0.45 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3nct h VAL 130 Cb 1.23 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3nct h VAL 130 CO 0.54 0.15 0.30 0.78 0.02 0.00 0.00 177.57 179.36 3nct h ASN 131 N 0.81 0.44 -0.41 0.57 2.35 -1.97 0.55 115.58 117.93 3nct h ASN 131 Ca 0.34 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.97 3nct h ASN 131 Cb 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3nct h ASN 131 CO -0.19 0.30 -0.33 0.44 -1.65 0.00 0.00 177.43 176.00 3nct h ASP 132 N 0.58 1.01 -0.64 5.81 3.32 -1.73 -1.84 116.42 122.91 3nct h ASP 132 Ca 0.26 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3nct h ASP 132 Cb 0.16 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3nct h ASP 132 CO -0.17 1.23 0.39 0.40 -1.72 0.00 0.00 179.24 179.38 3nct h ILE 133 N 0.79 1.18 0.02 0.35 2.04 -0.40 -0.97 117.51 120.53 3nct h ILE 133 Ca 0.08 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3nct h ILE 133 Cb 0.92 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3nct h ILE 133 CO 0.09 0.19 -0.01 0.40 0.00 0.00 0.00 178.15 178.82 3nct h ILE 134 N 0.87 1.01 -0.86 -0.67 2.04 -0.82 0.06 117.51 119.14 3nct h ILE 134 Ca 0.23 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 66.07 3nct h ILE 134 Cb -0.03 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3nct h ILE 134 CO -0.04 0.02 0.54 -0.74 0.00 0.00 0.00 178.15 177.92 3nct h HIS 135 N -0.06 0.99 -0.23 1.37 2.76 -1.12 -2.63 115.15 116.23 3nct h HIS 135 Ca -0.00 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 3nct h HIS 135 Cb 0.05 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.68 3nct h HIS 135 CO -0.07 0.52 -0.24 0.82 -1.30 0.00 0.00 177.93 177.66 3nct h ILE 136 N 0.99 1.32 0.00 6.26 2.04 -1.08 -3.00 117.51 124.04 3nct h ILE 136 Ca 0.37 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3nct h ILE 136 Cb 0.14 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3nct h ILE 136 CO -0.16 0.44 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3nct n LEU 137 N -4.37 1.07 0.00 1.44 4.77 -0.00 -1.21 117.00 118.69 3nct n LEU 137 Ca -0.05 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3nct n LEU 137 Cb 0.43 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3nct n LEU 137 CO 0.43 0.19 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 3nct n ALA 139 N 1.10 0.00 -0.20 -1.18 0.00 -1.13 0.58 120.51 119.68 3nct n ALA 139 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3nct n ALA 139 Cb 0.15 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.80 3nct n ALA 139 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3nct h GLU 140 N 0.00 0.98 -0.01 0.00 4.22 -1.46 -3.05 114.58 115.25 3nct h GLU 140 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.33 3nct h GLU 140 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3nct h GLU 140 CO 0.00 0.73 -0.01 0.41 -2.18 0.00 0.00 179.01 177.96 3nct n GLY 141 N -1.18 -0.49 2.19 1.92 0.00 0.20 -4.93 105.19 102.90 3nct n GLY 141 Ca 0.07 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3nct n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nct n GLY 142 N 1.10 0.30 0.43 -0.02 0.00 -1.16 -4.54 105.19 101.31 3nct n GLY 142 Ca 0.21 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.72 3nct n GLY 142 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14