#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcq s ILE 26 N 0.00 1.40 -0.14 1.69 1.01 -0.29 -4.95 121.20 119.92 2jcq s ILE 26 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2jcq s ILE 26 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2jcq s ILE 26 CO 0.00 0.42 -0.03 -1.81 0.00 0.00 0.00 174.94 173.51 2jcq s ASP 27 N 0.64 4.87 -0.28 3.58 1.11 -1.26 -0.88 116.67 124.45 2jcq s ASP 27 Ca -0.14 -0.07 0.03 0.00 0.18 0.00 0.00 52.55 52.54 2jcq s ASP 27 Cb -0.16 -1.68 0.07 0.00 1.07 0.00 0.00 42.92 42.22 2jcq s ASP 27 CO 0.04 0.22 -0.06 -0.76 1.18 0.00 0.00 175.17 175.79 2jcq s LEU 28 N 0.07 3.82 -0.12 1.23 1.43 0.17 -0.95 118.68 124.33 2jcq s LEU 28 Ca 0.00 -1.60 -0.23 0.00 -1.03 0.00 0.00 54.13 51.27 2jcq s LEU 28 Cb -0.13 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2jcq s LEU 28 CO 0.03 -0.24 0.69 0.20 0.23 0.00 0.00 176.35 177.25 2jcq s ASN 29 N 1.05 6.89 0.07 2.29 -0.87 0.07 -0.59 114.94 123.85 2jcq s ASN 29 Ca -0.04 1.08 0.09 0.00 -1.57 0.00 0.00 52.86 52.43 2jcq s ASN 29 Cb -0.20 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.61 2jcq s ASN 29 CO -0.06 -0.18 -0.26 0.68 -2.57 0.00 0.00 177.10 174.71 2jcq s VAL 30 N 1.24 2.09 0.60 1.60 -7.23 -0.62 -1.30 120.40 116.78 2jcq s VAL 30 Ca 0.35 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 2jcq s VAL 30 Cb -0.17 -1.81 0.06 0.00 0.56 0.00 0.00 36.38 35.02 2jcq s VAL 30 CO 0.15 0.25 0.84 0.42 -0.31 0.00 0.00 175.10 176.45 2jcq s THR 31 N -0.89 2.51 0.69 5.32 -4.23 -0.82 -3.94 115.64 114.28 2jcq s THR 31 Ca 0.11 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 2jcq s THR 31 Cb -0.10 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.82 2jcq s THR 31 CO 0.03 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.67 2jcq s ARG 33 N -2.65 3.84 -0.22 0.00 3.00 -0.36 -4.51 118.95 118.05 2jcq s ARG 33 Ca 0.67 0.31 -0.00 0.00 0.00 0.00 0.00 55.73 56.71 2jcq s ARG 33 Cb -0.37 -3.18 0.06 0.00 0.00 0.00 0.00 34.95 31.46 2jcq s ARG 33 CO 0.56 0.68 -0.03 0.71 0.00 0.00 0.00 175.30 177.22 2jcq s TYR 34 N -1.13 2.02 -1.59 -0.53 1.51 0.01 -0.06 117.35 117.58 2jcq s TYR 34 Ca 0.24 -1.48 -0.12 0.00 -1.01 0.00 0.00 57.07 54.70 2jcq s TYR 34 Cb -0.16 -1.43 0.10 0.00 -0.11 0.00 0.00 41.96 40.36 2jcq s TYR 34 CO 0.13 -0.72 0.68 0.00 -1.11 0.00 0.00 175.55 174.53 2jcq n ALA 35 N 4.78 -1.51 0.00 3.71 0.00 -0.39 -1.23 120.51 125.87 2jcq n ALA 35 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2jcq n ALA 35 Cb 0.45 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2jcq n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jcq n GLY 36 N -1.63 2.52 3.79 0.00 0.00 -1.25 -4.86 105.19 103.76 2jcq n GLY 36 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2jcq n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcq s VAL 37 N -2.34 5.07 0.13 1.61 1.01 -0.37 -0.72 120.40 124.78 2jcq s VAL 37 Ca 0.00 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 2jcq s VAL 37 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2jcq s VAL 37 CO 0.00 0.48 0.16 0.72 0.00 0.00 0.00 175.10 176.46 2jcq s PHE 38 N -0.43 0.51 -0.07 5.22 -0.12 -0.24 -0.81 117.98 122.05 2jcq s PHE 38 Ca 0.25 -0.92 -0.01 0.00 -0.05 0.00 0.00 56.93 56.19 2jcq s PHE 38 Cb -0.16 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 2jcq s PHE 38 CO 0.12 -0.58 0.01 -1.58 -0.05 0.00 0.00 175.22 173.14 2jcq s HIS 39 N -3.97 3.16 -0.08 3.49 5.65 -1.11 -0.88 115.29 121.56 2jcq s HIS 39 Ca 0.16 0.19 0.02 0.00 0.25 0.00 0.00 55.06 55.67 2jcq s HIS 39 Cb 0.05 -1.77 0.01 0.00 -1.18 0.00 0.00 32.58 29.70 2jcq s HIS 39 CO -0.03 0.48 -0.12 0.08 -0.65 0.00 0.00 174.74 174.50 2jcq s VAL 40 N -0.93 1.20 -0.09 0.89 1.01 0.23 -1.94 120.40 120.78 2jcq s VAL 40 Ca 0.15 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2jcq s VAL 40 Cb -0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2jcq s VAL 40 CO 0.04 0.38 -0.23 -0.70 0.00 0.00 0.00 175.10 174.59 2jcq s GLU 41 N 0.85 2.91 -0.25 2.72 2.12 -0.42 -1.84 118.70 124.79 2jcq s GLU 41 Ca -0.11 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.26 2jcq s GLU 41 Cb -0.15 -2.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 2jcq s GLU 41 CO 0.01 0.26 0.15 0.21 -0.54 0.00 0.00 175.26 175.36 2jcq s LYS 42 N 0.14 3.94 -1.47 4.30 2.20 -1.26 -0.75 119.74 126.84 2jcq s LYS 42 Ca -0.12 -0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2jcq s LYS 42 Cb -0.16 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2jcq s LYS 42 CO 0.07 -0.05 0.28 0.09 -0.36 0.00 0.00 175.35 175.37 2jcq n ASN 43 N 4.62 -5.19 -0.76 1.43 3.02 -0.13 -2.62 115.26 115.64 2jcq n ASN 43 Ca -0.15 -0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.19 2jcq n ASN 43 Cb 0.52 -4.28 -0.04 0.00 -0.61 0.00 0.00 39.78 35.36 2jcq n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jcq n GLY 44 N -1.16 1.11 3.34 7.41 0.00 -1.26 -4.97 105.19 109.66 2jcq n GLY 44 Ca -0.14 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2jcq n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jcq s ARG 45 N -2.68 1.00 -0.27 1.61 1.81 -1.08 -5.10 118.95 114.24 2jcq s ARG 45 Ca 0.00 -0.44 -0.28 0.00 -1.72 0.00 0.00 55.73 53.29 2jcq s ARG 45 Cb 0.00 0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 34.91 2jcq s ARG 45 CO 0.00 -0.36 2.08 0.71 -0.68 0.00 0.00 175.30 177.05 2jcq s TYR 46 N -2.90 1.38 0.00 -0.53 4.12 -1.26 -4.33 117.35 113.83 2jcq s TYR 46 Ca -0.03 0.61 0.00 0.00 0.02 0.00 0.00 57.07 57.67 2jcq s TYR 46 Cb 0.00 -3.98 0.00 0.00 -1.52 0.00 0.00 41.96 36.46 2jcq s TYR 46 CO -0.05 -3.64 0.32 -1.13 0.02 0.00 0.00 175.55 171.07 2jcq n SER 47 N 11.41 0.00 -4.38 2.29 3.41 -1.08 -4.71 113.62 120.56 2jcq n SER 47 Ca 0.28 -1.10 -0.34 0.00 -0.26 0.00 0.00 58.87 57.45 2jcq n SER 47 Cb 0.46 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 2jcq n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jcq s ILE 48 N 0.00 3.34 0.76 -1.33 1.01 -0.21 -4.87 121.20 119.90 2jcq s ILE 48 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 2jcq s ILE 48 Cb 0.00 -2.45 0.06 0.00 0.01 0.00 0.00 42.46 40.07 2jcq s ILE 48 CO 0.00 0.49 1.13 -0.94 0.00 0.00 0.00 174.94 175.62 2jcq s SER 49 N 0.67 4.84 0.27 3.58 1.04 -1.26 -1.05 113.70 121.79 2jcq s SER 49 Ca -0.04 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 2jcq s SER 49 Cb -0.15 -1.46 0.38 0.00 0.10 0.00 0.00 66.02 64.88 2jcq s SER 49 CO 0.02 -1.69 1.79 -0.09 0.98 0.00 0.00 173.24 174.25 2jcq h ARG 50 N -0.88 0.78 -0.35 4.02 9.65 -1.99 0.55 114.38 126.17 2jcq h ARG 50 Ca -0.46 -0.19 -0.17 0.00 -1.10 0.00 0.00 59.98 58.07 2jcq h ARG 50 Cb 1.30 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2jcq h ARG 50 CO 0.65 0.76 -0.44 1.79 2.80 0.00 0.00 179.97 185.53 2jcq h THR 51 N 0.74 1.27 -0.54 0.20 1.35 -1.97 -2.63 112.91 111.34 2jcq h THR 51 Ca 0.15 -1.61 -0.05 0.00 -0.55 0.00 0.00 66.41 64.36 2jcq h THR 51 Cb 0.38 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 2jcq h THR 51 CO 0.01 0.54 0.15 -0.08 -0.25 0.00 0.00 175.52 175.89 2jcq h GLU 52 N 0.73 0.82 -0.12 4.72 4.81 -1.84 -2.09 114.58 121.62 2jcq h GLU 52 Ca 0.05 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2jcq h GLU 52 Cb 1.04 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2jcq h GLU 52 CO 0.10 0.73 0.07 0.00 -0.73 0.00 0.00 179.01 179.18 2jcq h ALA 53 N 1.37 0.15 -0.53 2.92 0.00 -0.71 0.19 119.26 122.65 2jcq h ALA 53 Ca 0.18 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2jcq h ALA 53 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2jcq h ALA 53 CO -0.01 -0.34 0.28 0.00 0.00 0.00 0.00 179.25 179.18 2jcq h ALA 54 N 1.02 0.68 -0.80 0.00 0.00 -1.31 -1.02 119.26 117.84 2jcq h ALA 54 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2jcq h ALA 54 Cb 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2jcq h ALA 54 CO -0.01 -0.05 0.36 -0.44 0.00 0.00 0.00 179.25 179.12 2jcq h ASP 55 N 0.55 1.06 -0.19 0.00 3.32 -0.89 -1.60 116.42 118.66 2jcq h ASP 55 Ca 0.23 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2jcq h ASP 55 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2jcq h ASP 55 CO -0.15 0.91 0.03 0.25 -1.72 0.00 0.00 179.24 178.56 2jcq h LEU 56 N 1.14 0.29 -0.57 1.55 5.85 -0.23 -1.77 115.31 121.58 2jcq h LEU 56 Ca 0.27 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2jcq h LEU 56 Cb 0.15 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2jcq h LEU 56 CO -0.03 0.47 0.30 0.00 -0.34 0.00 0.00 178.44 178.84 2jcq h GLN 58 N 0.57 0.94 0.00 0.00 5.75 -1.09 0.05 115.11 121.33 2jcq h GLN 58 Ca 0.25 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 2jcq h GLN 58 Cb 0.15 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2jcq h GLN 58 CO -0.16 0.62 -0.23 0.00 -2.65 0.00 0.00 178.83 176.41 2jcq h ALA 59 N 1.54 1.39 -0.27 3.38 0.00 -0.50 -1.65 119.26 123.14 2jcq h ALA 59 Ca 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jcq h ALA 59 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jcq h ALA 59 CO -0.23 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.50 2jcq n PHE 60 N -3.92 0.74 -4.08 0.00 3.01 -0.42 -0.99 117.46 111.79 2jcq n PHE 60 Ca -0.02 -0.28 -0.29 0.00 1.01 0.00 0.00 57.45 57.88 2jcq n PHE 60 Cb 0.31 -0.19 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 2jcq n PHE 60 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jcq n ASN 61 N 0.32 -0.72 -3.88 4.37 3.02 -0.62 -4.82 115.26 112.92 2jcq n ASN 61 Ca 0.11 -1.06 -0.18 0.00 -0.03 0.00 0.00 54.58 53.43 2jcq n ASN 61 Cb 0.53 -2.72 -0.09 0.00 -0.61 0.00 0.00 39.78 36.89 2jcq n ASN 61 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jcq s SER 62 N -4.14 1.28 0.18 6.41 0.01 -0.13 -4.71 113.70 112.60 2jcq s SER 62 Ca 0.17 -1.57 0.04 0.00 1.31 0.00 0.00 55.95 55.89 2jcq s SER 62 Cb -0.09 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 2jcq s SER 62 CO 0.92 -0.92 -0.06 0.42 0.41 0.00 0.00 173.24 174.01 2jcq s THR 63 N -3.68 1.11 0.19 1.44 -4.23 -0.45 -3.02 115.64 106.99 2jcq s THR 63 Ca 0.37 -2.05 -0.31 0.00 -1.18 0.00 0.00 61.69 58.52 2jcq s THR 63 Cb 0.05 -2.05 -0.10 0.00 1.34 0.00 0.00 72.50 71.73 2jcq s THR 63 CO 0.19 -0.57 1.56 -0.76 -0.54 0.00 0.00 174.62 174.49 2jcq s LEU 64 N -3.22 4.37 0.66 4.79 1.43 -1.26 -0.13 118.68 125.31 2jcq s LEU 64 Ca 0.22 2.67 -0.17 0.00 -1.03 0.00 0.00 54.13 55.81 2jcq s LEU 64 Cb 0.04 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 2jcq s LEU 64 CO 0.04 -0.82 1.20 -2.84 0.23 0.00 0.00 176.35 174.16 2jcq s PRO 65 N 0.78 2.60 0.70 1.29 0.02 -1.26 -4.33 135.00 134.79 2jcq s PRO 65 Ca 0.68 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 2jcq s PRO 65 Cb -0.44 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.20 2jcq s PRO 65 CO 0.34 -1.48 1.09 0.95 -0.33 0.00 0.00 177.00 177.58 2jcq s THR 66 N -1.85 3.61 0.21 0.99 -4.23 -1.26 -0.70 115.64 112.42 2jcq s THR 66 Ca 0.75 0.52 -0.09 0.00 -1.18 0.00 0.00 61.69 61.69 2jcq s THR 66 Cb -0.29 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.19 2jcq s THR 66 CO 0.39 -0.69 1.72 -0.03 -0.54 0.00 0.00 174.62 175.48 2jcq h MET 67 N -0.62 0.31 -0.56 3.99 4.05 -1.96 -1.06 114.93 119.09 2jcq h MET 67 Ca -0.45 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 58.87 2jcq h MET 67 Cb 1.25 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 2jcq h MET 67 CO 0.64 0.20 0.02 -0.44 0.23 0.00 0.00 176.91 177.56 2jcq h ASP 68 N 0.32 0.91 -0.72 1.39 3.32 -1.99 -0.65 116.42 119.01 2jcq h ASP 68 Ca 0.32 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2jcq h ASP 68 Cb 0.45 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2jcq h ASP 68 CO -0.37 0.96 0.31 1.56 -1.72 0.00 0.00 179.24 179.97 2jcq h GLN 69 N 0.87 1.06 -0.16 3.56 4.20 -1.80 -1.80 115.11 121.04 2jcq h GLN 69 Ca 0.17 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 2jcq h GLN 69 Cb 0.48 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2jcq h GLN 69 CO 0.02 0.86 -0.43 1.98 -0.67 0.00 0.00 178.83 180.59 2jcq h MET 70 N 1.02 0.38 -0.67 1.46 4.05 -0.91 -1.55 114.93 118.71 2jcq h MET 70 Ca 0.24 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 2jcq h MET 70 Cb 0.18 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2jcq h MET 70 CO -0.02 0.74 0.13 0.87 0.23 0.00 0.00 176.91 178.86 2jcq h LYS 71 N 0.31 1.10 -0.59 0.39 1.57 -0.83 -0.98 116.57 117.53 2jcq h LYS 71 Ca 0.02 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2jcq h LYS 71 Cb 0.89 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2jcq h LYS 71 CO 0.07 1.00 0.03 1.25 -0.57 0.00 0.00 179.45 181.23 2jcq h LEU 72 N 1.02 1.01 -0.35 2.94 5.85 -1.13 -2.12 115.31 122.53 2jcq h LEU 72 Ca 0.21 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2jcq h LEU 72 Cb 0.42 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2jcq h LEU 72 CO 0.01 1.05 0.18 0.00 -0.34 0.00 0.00 178.44 179.34 2jcq h ALA 73 N 0.99 0.43 -0.58 1.25 0.00 -1.05 -1.91 119.26 118.38 2jcq h ALA 73 Ca 0.17 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2jcq h ALA 73 Cb 0.52 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2jcq h ALA 73 CO 0.03 -0.19 -0.22 1.25 0.00 0.00 0.00 179.25 180.11 2jcq h LEU 74 N 0.36 -0.78 -2.49 0.00 5.85 -1.03 -1.49 115.31 115.74 2jcq h LEU 74 Ca 0.15 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2jcq h LEU 74 Cb 0.05 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2jcq h LEU 74 CO -0.10 -0.25 -0.02 0.77 -0.34 0.00 0.00 178.44 178.51 2jcq h SER 75 N -0.07 0.00 -0.02 1.25 4.64 -0.66 -0.25 113.55 118.43 2jcq h SER 75 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2jcq h SER 75 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2jcq h SER 75 CO -0.64 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 175.63 2jcq n LYS 76 N -3.64 1.70 0.00 4.77 4.76 -0.60 -4.92 118.16 120.22 2jcq n LYS 76 Ca -0.03 -1.01 0.00 0.00 -2.87 0.00 0.00 58.31 54.40 2jcq n LYS 76 Cb 0.10 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2jcq n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jcq n GLY 77 N 1.18 1.23 3.67 0.72 0.00 -0.11 -4.74 105.19 107.13 2jcq n GLY 77 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2jcq n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jcq s PHE 78 N -2.00 3.40 0.01 1.61 5.36 -0.94 -5.00 117.98 120.43 2jcq s PHE 78 Ca 0.00 1.37 -0.11 0.00 -0.96 0.00 0.00 56.93 57.23 2jcq s PHE 78 Cb 0.00 -3.13 0.01 0.00 -0.34 0.00 0.00 43.02 39.56 2jcq s PHE 78 CO 0.00 -0.33 0.22 -1.83 -1.46 0.00 0.00 175.22 171.82 2jcq s GLU 79 N 2.52 0.63 0.24 10.12 -1.05 -1.26 -4.33 118.70 125.56 2jcq s GLU 79 Ca 0.41 -0.42 0.02 0.00 -0.15 0.00 0.00 54.97 54.83 2jcq s GLU 79 Cb -0.16 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2jcq s GLU 79 CO 0.11 -0.17 0.17 0.95 0.95 0.00 0.00 175.26 177.27 2jcq s THR 80 N -1.83 0.02 -0.42 1.83 -4.23 -0.74 -5.02 115.64 105.25 2jcq s THR 80 Ca -0.11 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.45 2jcq s THR 80 Cb -0.04 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.73 2jcq s THR 80 CO 0.00 0.00 1.24 0.00 -0.54 0.00 0.00 174.62 175.32 2jcq s ARG 82 N -3.61 -0.01 0.26 0.00 1.81 -1.26 -4.97 118.95 111.17 2jcq s ARG 82 Ca 0.50 0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 54.37 2jcq s ARG 82 Cb 0.41 -0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.65 2jcq s ARG 82 CO -0.11 -0.12 1.36 0.71 -0.68 0.00 0.00 175.30 176.46 2jcq s TYR 83 N 0.77 3.10 0.00 -0.53 1.51 -1.26 -4.51 117.35 116.43 2jcq s TYR 83 Ca -0.06 1.19 -0.21 0.00 -1.01 0.00 0.00 57.07 56.98 2jcq s TYR 83 Cb -0.09 -3.72 0.04 0.00 -0.11 0.00 0.00 41.96 38.09 2jcq s TYR 83 CO -0.02 -2.21 0.47 0.20 -1.11 0.00 0.00 175.55 172.88 2jcq s GLY 84 N 0.10 -0.35 0.30 0.71 0.00 -0.52 -1.58 107.32 105.99 2jcq s GLY 84 Ca 0.56 0.63 -0.29 0.00 0.00 0.00 0.00 44.72 45.62 2jcq s GLY 84 CO 0.45 0.36 1.37 -1.36 0.00 0.00 0.00 173.10 173.91 2jcq s PHE 85 N -1.77 3.00 0.29 1.90 0.40 -0.73 -1.23 117.98 119.84 2jcq s PHE 85 Ca -0.09 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2jcq s PHE 85 Cb -0.02 -3.76 -0.00 0.00 0.51 0.00 0.00 43.02 39.75 2jcq s PHE 85 CO 0.03 -2.25 0.00 0.44 0.70 0.00 0.00 175.22 174.14 2jcq n ILE 86 N 1.38 0.00 -2.12 0.64 -5.35 -0.16 -1.18 119.36 112.58 2jcq n ILE 86 Ca 0.03 -1.36 -0.43 0.00 -0.27 0.00 0.00 62.75 60.72 2jcq n ILE 86 Cb 0.41 0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.56 2jcq n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2jcq s GLU 87 N -3.04 3.80 0.00 6.28 2.56 0.12 -3.55 118.70 124.88 2jcq s GLU 87 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 54.97 56.63 2jcq s GLU 87 Cb 0.00 -4.03 0.00 0.00 2.00 0.00 0.00 34.13 32.10 2jcq s GLU 87 CO 0.00 -1.29 0.00 0.41 -0.56 0.00 0.00 175.26 173.82 2jcq n GLY 88 N 4.65 3.29 3.47 -1.50 0.00 -1.26 -4.66 105.19 109.17 2jcq n GLY 88 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2jcq n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jcq s ASN 89 N -0.51 0.35 -0.12 1.61 0.01 -1.23 -5.15 114.94 109.90 2jcq s ASN 89 Ca 0.00 -1.24 0.01 0.00 -0.71 0.00 0.00 52.86 50.92 2jcq s ASN 89 Cb 0.00 0.57 -0.01 0.00 0.41 0.00 0.00 41.25 42.22 2jcq s ASN 89 CO 0.00 -1.14 -0.15 -0.69 -1.51 0.00 0.00 177.10 173.61 2jcq s VAL 90 N -3.68 2.86 0.15 1.60 1.01 -1.26 -0.98 120.40 120.09 2jcq s VAL 90 Ca 0.29 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2jcq s VAL 90 Cb 0.01 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2jcq s VAL 90 CO 0.14 0.53 0.09 0.68 0.00 0.00 0.00 175.10 176.55 2jcq s VAL 91 N 0.30 0.08 -0.08 2.92 -7.23 -0.36 -0.92 120.40 115.12 2jcq s VAL 91 Ca -0.12 -1.88 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2jcq s VAL 91 Cb -0.16 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2jcq s VAL 91 CO 0.06 -0.36 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.86 2jcq s ILE 92 N -4.06 0.40 0.00 -0.62 1.01 -0.10 -1.44 121.20 116.39 2jcq s ILE 92 Ca 0.26 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 2jcq s ILE 92 Cb 0.07 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2jcq s ILE 92 CO 0.04 0.26 1.11 -2.16 0.00 0.00 0.00 174.94 174.18 2jcq s PRO 93 N 1.96 4.46 -0.07 2.79 0.04 -1.26 -0.91 135.00 142.00 2jcq s PRO 93 Ca 0.05 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.70 2jcq s PRO 93 Cb -0.12 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 30.99 2jcq s PRO 93 CO -0.05 -0.23 -0.10 1.03 0.04 0.00 0.00 177.00 177.69 2jcq s ARG 94 N 1.37 1.51 -0.26 4.56 1.81 -0.03 -1.79 118.95 126.12 2jcq s ARG 94 Ca 0.55 -0.32 -0.15 0.00 -1.72 0.00 0.00 55.73 54.09 2jcq s ARG 94 Cb -0.25 -1.36 -0.11 0.00 -0.45 0.00 0.00 34.95 32.78 2jcq s ARG 94 CO 0.26 -0.07 -0.33 -0.89 -0.68 0.00 0.00 175.30 173.59 2jcq n ILE 95 N 4.16 1.53 -3.84 1.52 5.41 -1.26 -0.07 119.36 126.80 2jcq n ILE 95 Ca -0.20 -0.30 -0.36 0.00 1.00 0.00 0.00 62.75 62.88 2jcq n ILE 95 Cb 0.51 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.42 2jcq n ILE 95 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2jcq s HIS 96 N -2.55 3.50 0.06 1.39 3.76 -1.26 -4.79 115.29 115.40 2jcq s HIS 96 Ca -0.37 0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 54.65 2jcq s HIS 96 Cb 0.13 -2.03 -0.08 0.00 1.11 0.00 0.00 32.58 31.72 2jcq s HIS 96 CO 0.48 0.53 1.54 -1.25 -0.85 0.00 0.00 174.74 175.20 2jcq s PRO 97 N -0.43 4.24 -0.03 8.40 0.04 -1.26 -4.89 135.00 141.06 2jcq s PRO 97 Ca 0.12 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2jcq s PRO 97 Cb -0.12 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.93 2jcq s PRO 97 CO 0.01 -0.65 -0.02 1.21 0.04 0.00 0.00 177.00 177.60 2jcq s ASN 98 N 2.01 0.57 0.59 6.66 3.84 -1.26 -4.96 114.94 122.39 2jcq s ASN 98 Ca 0.70 -0.06 0.34 0.00 0.21 0.00 0.00 52.86 54.05 2jcq s ASN 98 Cb -0.37 -0.27 1.82 0.00 -0.55 0.00 0.00 41.25 41.88 2jcq s ASN 98 CO 0.30 -0.07 2.19 0.00 -2.79 0.00 0.00 177.10 176.73 2jcq h ALA 99 N 7.10 1.19 -0.40 1.71 0.00 -1.92 -0.46 119.26 126.48 2jcq h ALA 99 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jcq h ALA 99 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jcq h ALA 99 CO 0.48 0.05 0.00 0.44 0.00 0.00 0.00 179.25 180.22 2jcq n ILE 100 N -3.41 1.65 -3.85 0.00 -5.35 -1.26 -3.85 119.36 103.30 2jcq n ILE 100 Ca -0.02 -1.35 -0.30 0.00 -0.27 0.00 0.00 62.75 60.81 2jcq n ILE 100 Cb 0.17 0.15 -0.15 0.00 -1.74 0.00 0.00 39.64 38.07 2jcq n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jcq n ALA 102 N 4.37 -0.91 -3.99 0.00 0.00 -1.26 -3.50 120.51 115.22 2jcq n ALA 102 Ca 0.02 0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 2jcq n ALA 102 Cb 0.40 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.42 2jcq n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jcq n ALA 103 N -3.23 -1.96 -0.96 0.00 0.00 -1.25 -1.21 120.51 111.91 2jcq n ALA 103 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2jcq n ALA 103 Cb 0.63 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2jcq n ALA 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jcq n ASN 104 N -2.96 -2.43 -4.83 0.00 4.05 -0.24 -4.90 115.26 103.93 2jcq n ASN 104 Ca -0.29 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.42 2jcq n ASN 104 Cb 0.67 -1.01 -0.01 0.00 1.23 0.00 0.00 39.78 40.66 2jcq n ASN 104 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2jcq s HIS 105 N -2.29 3.35 0.31 1.20 3.76 -0.35 -4.42 115.29 116.85 2jcq s HIS 105 Ca 0.00 1.45 0.11 0.00 -0.15 0.00 0.00 55.06 56.47 2jcq s HIS 105 Cb 0.00 -2.84 -0.06 0.00 1.11 0.00 0.00 32.58 30.79 2jcq s HIS 105 CO 0.00 -0.63 -0.14 0.95 -0.85 0.00 0.00 174.74 174.07 2jcq s THR 106 N -2.67 2.41 0.00 1.30 -4.23 -1.26 -4.59 115.64 106.59 2jcq s THR 106 Ca 0.59 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 2jcq s THR 106 Cb -0.12 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2jcq s THR 106 CO 0.37 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 2jcq n GLY 107 N -0.72 -2.51 3.55 3.99 0.00 0.90 -4.70 105.19 105.70 2jcq n GLY 107 Ca -0.05 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 2jcq n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcq s VAL 108 N -0.33 3.73 -0.04 1.61 1.01 -1.26 -0.85 120.40 124.27 2jcq s VAL 108 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 2jcq s VAL 108 Cb 0.00 -4.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.43 2jcq s VAL 108 CO 0.00 -1.86 0.95 -0.47 0.00 0.00 0.00 175.10 173.72 2jcq s TYR 109 N 5.72 3.61 -0.23 5.22 5.04 -0.09 -4.90 117.35 131.72 2jcq s TYR 109 Ca 0.35 1.61 -0.10 0.00 -2.44 0.00 0.00 57.07 56.48 2jcq s TYR 109 Cb -0.08 -3.10 -0.05 0.00 0.35 0.00 0.00 41.96 39.08 2jcq s TYR 109 CO 0.15 -0.06 0.15 0.42 -1.34 0.00 0.00 175.55 174.87 2jcq s ILE 110 N 1.25 5.37 0.07 3.14 1.01 -1.26 -0.93 121.20 129.85 2jcq s ILE 110 Ca 0.49 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.01 2jcq s ILE 110 Cb -0.20 -3.49 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 2jcq s ILE 110 CO 0.24 0.37 1.50 -0.22 0.00 0.00 0.00 174.94 176.83 2jcq s LEU 111 N 0.87 4.35 -0.20 2.97 2.96 -0.10 -4.92 118.68 124.61 2jcq s LEU 111 Ca 0.08 2.34 -0.16 0.00 -0.22 0.00 0.00 54.13 56.16 2jcq s LEU 111 Cb -0.13 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 2jcq s LEU 111 CO 0.03 -0.77 -0.31 0.52 -1.32 0.00 0.00 176.35 174.50 2jcq n VAL 112 N 4.44 1.50 -4.12 1.68 0.31 -1.26 -4.74 118.33 116.13 2jcq n VAL 112 Ca 0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.15 2jcq n VAL 112 Cb 0.42 -2.22 -0.16 0.00 -0.91 0.00 0.00 33.84 30.97 2jcq n VAL 112 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2jcq s THR 113 N -2.71 1.92 -0.06 2.52 2.01 -1.26 -5.09 115.64 112.96 2jcq s THR 113 Ca -0.30 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 2jcq s THR 113 Cb 0.07 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.86 2jcq s THR 113 CO 0.43 0.52 0.33 -0.55 -0.69 0.00 0.00 174.62 174.66 2jcq s SER 114 N 1.32 -0.26 0.27 3.53 0.15 -1.26 -5.04 113.70 112.41 2jcq s SER 114 Ca 0.04 0.32 0.13 0.00 0.70 0.00 0.00 55.95 57.15 2jcq s SER 114 Cb -0.13 0.47 0.30 0.00 -1.71 0.00 0.00 66.02 64.94 2jcq s SER 114 CO -0.12 -0.33 1.56 0.78 1.20 0.00 0.00 173.24 176.33 2jcq h ASN 115 N 4.46 0.00 -1.74 5.45 2.35 -2.05 -3.48 115.58 120.58 2jcq h ASN 115 Ca -0.28 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 54.91 2jcq h ASN 115 Cb 1.18 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.47 2jcq h ASN 115 CO 0.36 0.61 -0.52 0.42 -1.65 0.00 0.00 177.43 176.65 2jcq s THR 116 N -3.35 2.66 -0.02 2.81 -4.23 -1.26 -5.08 115.64 107.18 2jcq s THR 116 Ca 0.00 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2jcq s THR 116 Cb 0.11 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.98 2jcq s THR 116 CO 0.75 -0.10 0.48 -1.54 -0.54 0.00 0.00 174.62 173.68 2jcq n SER 117 N -1.19 0.97 -4.31 3.99 3.41 -1.26 -5.01 113.62 110.22 2jcq n SER 117 Ca -0.02 -0.99 -0.33 0.00 -0.26 0.00 0.00 58.87 57.27 2jcq n SER 117 Cb 0.63 0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.47 2jcq n SER 117 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2jcq s HIS 118 N -0.05 2.81 0.00 7.33 3.76 -1.26 -4.38 115.29 123.50 2jcq s HIS 118 Ca 0.00 -0.88 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2jcq s HIS 118 Cb 0.00 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.79 2jcq s HIS 118 CO 0.00 -0.38 0.00 0.66 -0.85 0.00 0.00 174.74 174.17 2jcq n TYR 119 N 3.94 0.00 -1.73 1.40 4.02 -0.21 -4.49 117.16 120.08 2jcq n TYR 119 Ca -0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.65 2jcq n TYR 119 Cb 0.52 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.87 2jcq n TYR 119 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2jcq n ASP 120 N -2.57 0.14 -4.18 7.72 8.00 -0.61 -1.05 116.55 124.00 2jcq n ASP 120 Ca 0.00 -1.16 -0.14 0.00 0.71 0.00 0.00 54.79 54.20 2jcq n ASP 120 Cb 0.00 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 2jcq n ASP 120 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jcq s THR 121 N -1.02 0.91 0.18 -3.53 -1.32 -0.77 -1.78 115.64 108.32 2jcq s THR 121 Ca 0.14 -1.72 0.05 0.00 -1.21 0.00 0.00 61.69 58.96 2jcq s THR 121 Cb -0.01 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.51 2jcq s THR 121 CO 0.10 -0.63 0.16 -0.31 -2.21 0.00 0.00 174.62 171.73 2jcq s TYR 122 N -2.70 3.16 0.04 9.09 1.51 -0.32 -0.60 117.35 127.53 2jcq s TYR 122 Ca 0.07 -0.03 -0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2jcq s TYR 122 Cb -0.01 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 2jcq s TYR 122 CO -0.01 0.52 0.00 0.00 -1.11 0.00 0.00 175.55 174.95 2jcq s PHE 124 N -2.74 1.56 -0.34 0.00 5.36 0.81 -1.07 117.98 121.56 2jcq s PHE 124 Ca -0.04 -0.80 -0.05 0.00 -0.96 0.00 0.00 56.93 55.09 2jcq s PHE 124 Cb -0.01 -1.27 0.05 0.00 -0.34 0.00 0.00 43.02 41.45 2jcq s PHE 124 CO -0.06 -0.53 0.09 1.21 -1.46 0.00 0.00 175.22 174.47 2jcq s ASN 125 N 1.68 5.19 0.43 6.13 2.47 0.10 -1.35 114.94 129.60 2jcq s ASN 125 Ca 0.05 -1.29 0.30 0.00 0.42 0.00 0.00 52.86 52.34 2jcq s ASN 125 Cb -0.13 -1.82 1.38 0.00 -1.45 0.00 0.00 41.25 39.24 2jcq s ASN 125 CO -0.08 -0.34 1.90 0.00 -3.72 0.00 0.00 177.10 174.86 2jcq h ALA 126 N 8.14 1.00 -0.01 1.71 0.00 -1.85 -2.33 119.26 125.91 2jcq h ALA 126 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jcq h ALA 126 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jcq h ALA 126 CO 0.60 0.00 -0.12 0.43 0.00 0.00 0.00 179.25 180.15 2jcq n SER 127 N -2.65 1.44 -4.67 0.00 7.64 -1.26 -4.92 113.62 109.19 2jcq n SER 127 Ca 0.00 -1.29 -0.30 0.00 1.01 0.00 0.00 58.87 58.29 2jcq n SER 127 Cb 0.19 0.08 0.16 0.00 -1.01 0.00 0.00 64.21 63.63 2jcq n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jcq s ALA 128 N -2.22 1.19 0.91 -0.43 0.00 -0.88 -5.01 121.76 115.32 2jcq s ALA 128 Ca 0.31 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.20 2jcq s ALA 128 Cb 0.20 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 20.22 2jcq s ALA 128 CO 0.42 -2.67 1.12 -2.14 0.00 0.00 0.00 175.76 172.49 2jcq s PRO 129 N -4.81 1.07 0.41 0.00 0.02 -1.26 -4.78 135.00 125.66 2jcq s PRO 129 Ca 0.65 1.35 0.22 0.00 0.02 0.00 0.00 61.00 63.25 2jcq s PRO 129 Cb -0.20 -1.75 0.68 0.00 0.02 0.00 0.00 34.50 33.25 2jcq s PRO 129 CO 0.58 -2.53 1.72 -1.00 -0.33 0.00 0.00 177.00 175.45 2jcq h PRO 130 N -1.79 0.00 0.00 5.54 0.13 -1.95 -3.31 132.00 130.62 2jcq h PRO 130 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jcq h PRO 130 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jcq h PRO 130 CO 0.45 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 2jcq n GLU 131 N -3.30 1.43 -3.01 0.86 -0.58 -1.26 -3.27 120.64 111.52 2jcq n GLU 131 Ca 0.01 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.35 2jcq n GLU 131 Cb 0.51 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.33 2jcq n GLU 131 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jcq s GLU 132 N 4.48 4.39 -0.28 3.49 2.12 -1.26 -1.26 118.70 130.38 2jcq s GLU 132 Ca 0.00 0.89 0.02 0.00 0.36 0.00 0.00 54.97 56.24 2jcq s GLU 132 Cb 0.00 -3.49 0.08 0.00 0.26 0.00 0.00 34.13 30.98 2jcq s GLU 132 CO 0.00 -0.06 -0.01 0.34 -0.54 0.00 0.00 175.26 174.99 2jcq s ASP 133 N 0.93 4.24 -0.14 -1.70 2.15 0.91 -4.98 116.67 118.08 2jcq s ASP 133 Ca 0.37 -1.55 0.16 0.00 0.43 0.00 0.00 52.55 51.96 2jcq s ASP 133 Cb -0.17 -1.32 0.68 0.00 -0.30 0.00 0.00 42.92 41.80 2jcq s ASP 133 CO 0.16 -0.29 1.59 0.00 -0.17 0.00 0.00 175.17 176.46 2jcq s THR 135 N -2.16 3.43 0.44 0.00 -4.23 -1.26 -4.93 115.64 106.93 2jcq s THR 135 Ca 0.48 0.65 -0.24 0.00 -1.18 0.00 0.00 61.69 61.41 2jcq s THR 135 Cb 0.33 -3.18 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 2jcq s THR 135 CO 0.19 -0.42 1.18 -0.44 -0.54 0.00 0.00 174.62 174.59 2jcq s SER 136 N -2.71 6.27 -0.09 3.99 0.01 -1.26 -4.92 113.70 115.00 2jcq s SER 136 Ca 0.65 2.35 -0.23 0.00 1.31 0.00 0.00 55.95 60.04 2jcq s SER 136 Cb -0.19 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 2jcq s SER 136 CO 0.41 -0.85 0.70 -0.69 0.41 0.00 0.00 173.24 173.22 2jcq s VAL 137 N -1.48 5.04 0.00 3.43 1.01 -1.26 -4.95 120.40 122.19 2jcq s VAL 137 Ca 0.61 1.42 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2jcq s VAL 137 Cb -0.30 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2jcq s VAL 137 CO 0.37 0.22 0.50 0.35 0.00 0.00 0.00 175.10 176.55 2jcq n THR 138 N 3.92 0.04 -3.71 3.92 -2.24 -1.26 -4.72 114.28 110.24 2jcq n THR 138 Ca -0.01 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 2jcq n THR 138 Cb 0.51 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 2jcq n THR 138 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jcq s ASP 139 N -0.04 -0.36 -0.73 3.42 -0.00 -1.26 -4.90 116.67 112.80 2jcq s ASP 139 Ca 0.00 0.47 0.04 0.00 -0.00 0.00 0.00 52.55 53.07 2jcq s ASP 139 Cb 0.00 0.56 0.18 0.00 -0.00 0.00 0.00 42.92 43.66 2jcq s ASP 139 CO 0.00 -0.37 0.55 -0.11 -0.00 0.00 0.00 175.17 175.24 2jcq n LEU 140 N 1.77 3.24 0.13 1.23 7.94 -1.26 -4.93 117.00 125.11 2jcq n LEU 140 Ca -0.18 -5.23 0.11 0.00 -1.11 0.00 0.00 56.01 49.60 2jcq n LEU 140 Cb 0.56 -0.79 0.50 0.00 0.53 0.00 0.00 43.42 44.22 2jcq n LEU 140 CO 0.19 1.76 0.83 -0.81 -1.11 0.00 0.00 177.39 178.25 2jcq n PRO 141 N 1.89 0.16 -0.02 1.96 -0.04 -0.98 -2.33 135.00 135.64 2jcq n PRO 141 Ca 0.21 0.49 0.02 0.00 -0.04 0.00 0.00 63.50 64.17 2jcq n PRO 141 Cb 0.36 -1.87 0.03 0.00 -0.04 0.00 0.00 33.50 31.97 2jcq n PRO 141 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2jcq n ASN 142 N -2.19 1.96 -4.72 3.54 4.05 -0.16 -5.00 115.26 112.74 2jcq n ASN 142 Ca 0.01 -2.17 -0.32 0.00 0.45 0.00 0.00 54.58 52.55 2jcq n ASN 142 Cb 0.16 -0.09 0.12 0.00 1.23 0.00 0.00 39.78 41.20 2jcq n ASN 142 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2jcq s SER 143 N -1.32 3.86 0.46 1.20 1.04 -0.98 -4.68 113.70 113.28 2jcq s SER 143 Ca 0.06 2.13 0.05 0.00 0.48 0.00 0.00 55.95 58.67 2jcq s SER 143 Cb 0.05 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2jcq s SER 143 CO 0.01 -2.47 0.09 0.72 0.98 0.00 0.00 173.24 172.56 2jcq s PHE 144 N -2.49 2.20 0.43 5.02 -0.12 -0.22 -4.93 117.98 117.88 2jcq s PHE 144 Ca 0.68 -0.77 -0.26 0.00 -0.05 0.00 0.00 56.93 56.52 2jcq s PHE 144 Cb -0.23 -1.77 -0.09 0.00 -0.63 0.00 0.00 43.02 40.29 2jcq s PHE 144 CO 0.52 0.21 1.41 -3.47 -0.05 0.00 0.00 175.22 173.84 2jcq n ASP 145 N -1.22 3.23 0.00 1.98 -0.08 -1.26 -1.08 116.55 118.11 2jcq n ASP 145 Ca -0.09 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.33 2jcq n ASP 145 Cb 0.66 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.54 2jcq n ASP 145 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jcq n GLY 146 N 0.61 -0.87 0.53 0.27 0.00 -1.26 -4.22 105.19 100.25 2jcq n GLY 146 Ca 0.05 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.10 2jcq n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jcq n PRO 147 N -0.30 1.42 -3.22 1.61 -0.04 -1.21 -3.08 135.00 130.18 2jcq n PRO 147 Ca 0.00 -1.07 -0.39 0.00 -0.04 0.00 0.00 63.50 62.00 2jcq n PRO 147 Cb 0.00 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 2jcq n PRO 147 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jcq s VAL 148 N -2.32 4.90 -0.46 0.52 1.01 -0.45 -4.79 120.40 118.81 2jcq s VAL 148 Ca 0.25 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 2jcq s VAL 148 Cb 0.19 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2jcq s VAL 148 CO 0.47 0.43 1.07 -0.89 0.00 0.00 0.00 175.10 176.18 2jcq s THR 149 N -0.26 4.31 -0.23 3.92 2.01 -1.26 -0.50 115.64 123.63 2jcq s THR 149 Ca 0.31 1.15 -0.09 0.00 0.31 0.00 0.00 61.69 63.37 2jcq s THR 149 Cb -0.18 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 2jcq s THR 149 CO 0.17 -0.91 0.11 -0.63 -0.69 0.00 0.00 174.62 172.68 2jcq s ILE 150 N 4.18 4.91 -0.16 1.82 1.01 0.28 -1.14 121.20 132.11 2jcq s ILE 150 Ca 0.45 0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.13 2jcq s ILE 150 Cb -0.08 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.11 2jcq s ILE 150 CO 0.29 0.36 -0.18 -0.89 0.00 0.00 0.00 174.94 174.51 2jcq s THR 151 N 1.11 2.34 -0.20 2.92 2.01 -0.06 -1.31 115.64 122.46 2jcq s THR 151 Ca 0.06 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 2jcq s THR 151 Cb -0.14 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2jcq s THR 151 CO 0.04 0.53 0.61 -0.63 -0.69 0.00 0.00 174.62 174.48 2jcq s ILE 152 N 0.95 5.03 -0.22 1.82 -1.09 0.03 -0.66 121.20 127.07 2jcq s ILE 152 Ca -0.03 1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 59.52 2jcq s ILE 152 Cb -0.15 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2jcq s ILE 152 CO -0.04 0.12 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.01 2jcq s VAL 153 N 1.87 2.86 0.48 2.92 1.01 0.25 -1.74 120.40 128.05 2jcq s VAL 153 Ca 0.28 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2jcq s VAL 153 Cb -0.16 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jcq s VAL 153 CO 0.10 0.40 0.76 0.20 0.00 0.00 0.00 175.10 176.56 2jcq s ASN 154 N 1.38 6.08 0.48 3.32 0.01 -0.33 -1.59 114.94 124.30 2jcq s ASN 154 Ca 0.04 0.75 0.20 0.00 -0.71 0.00 0.00 52.86 53.14 2jcq s ASN 154 Cb -0.14 -2.03 1.20 0.00 0.41 0.00 0.00 41.25 40.68 2jcq s ASN 154 CO -0.06 -0.65 2.03 -0.09 -1.51 0.00 0.00 177.10 176.81 2jcq h ARG 155 N 0.23 0.00 0.00 -0.60 2.43 -1.89 -0.01 114.38 114.55 2jcq h ARG 155 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2jcq h ARG 155 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2jcq h ARG 155 CO 0.61 0.16 0.00 -0.40 -1.51 0.00 0.00 179.97 178.83 2jcq n ASP 156 N -4.05 0.00 0.00 -3.80 5.68 -1.26 -4.88 116.55 108.24 2jcq n ASP 156 Ca -0.02 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 2jcq n ASP 156 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 2jcq n ASP 156 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jcq n GLY 157 N 0.75 1.83 3.67 6.12 0.00 -0.02 -5.03 105.19 112.52 2jcq n GLY 157 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 2jcq n GLY 157 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jcq n THR 158 N -2.00 0.03 -4.33 2.61 -1.04 -1.26 -4.70 114.28 103.59 2jcq n THR 158 Ca 0.00 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 2jcq n THR 158 Cb 0.00 -1.60 -0.13 0.00 -1.82 0.00 0.00 70.33 66.78 2jcq n THR 158 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jcq s ARG 159 N 1.08 1.22 -0.04 -2.82 0.52 -1.26 -1.18 118.95 116.47 2jcq s ARG 159 Ca 0.79 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2jcq s ARG 159 Cb -0.66 -1.56 0.03 0.00 0.52 0.00 0.00 34.95 33.28 2jcq s ARG 159 CO 0.38 0.37 0.07 0.71 0.02 0.00 0.00 175.30 176.85 2jcq s TYR 160 N -1.12 -0.01 0.10 -0.53 1.51 -0.71 -4.99 117.35 111.60 2jcq s TYR 160 Ca 0.09 0.29 0.09 0.00 -1.01 0.00 0.00 57.07 56.53 2jcq s TYR 160 Cb -0.10 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 2jcq s TYR 160 CO 0.05 -0.16 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.00 2jcq s SER 161 N 1.70 3.71 0.10 2.29 0.01 -1.26 -0.79 113.70 119.46 2jcq s SER 161 Ca -0.02 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 2jcq s SER 161 Cb -0.12 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.64 2jcq s SER 161 CO -0.04 0.20 0.28 -1.59 0.41 0.00 0.00 173.24 172.50 2jcq s LYS 162 N -1.91 0.93 -0.16 12.44 -2.85 -0.43 -5.00 119.74 122.77 2jcq s LYS 162 Ca 0.16 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 54.12 2jcq s LYS 162 Cb -0.10 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2jcq s LYS 162 CO 0.08 -0.33 0.46 0.21 0.10 0.00 0.00 175.35 175.87 2jcq s LYS 163 N -3.78 4.27 0.00 1.78 2.20 -1.26 -0.56 119.74 122.39 2jcq s LYS 163 Ca 0.04 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2jcq s LYS 163 Cb 0.03 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2jcq s LYS 163 CO -0.11 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2jcq n GLY 164 N 3.54 0.91 3.36 5.54 0.00 0.35 -4.59 105.19 114.30 2jcq n GLY 164 Ca -0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2jcq n GLY 164 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jcq s GLU 165 N 1.43 0.99 0.00 1.61 2.56 -0.24 -1.34 118.70 123.71 2jcq s GLU 165 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.97 54.67 2jcq s GLU 165 Cb 0.00 0.45 0.00 0.00 2.00 0.00 0.00 34.13 36.58 2jcq s GLU 165 CO 0.00 -0.35 0.00 2.48 -0.56 0.00 0.00 175.26 176.83 2jcq n TYR 166 N 0.42 0.00 -2.92 5.30 0.18 -1.26 -1.05 117.16 117.82 2jcq n TYR 166 Ca -0.18 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.19 2jcq n TYR 166 Cb 0.60 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.52 2jcq n TYR 166 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jcq s ARG 167 N -0.33 4.36 0.00 -3.48 0.52 -1.26 -4.65 118.95 114.11 2jcq s ARG 167 Ca 0.00 1.01 0.17 0.00 -0.52 0.00 0.00 55.73 56.38 2jcq s ARG 167 Cb 0.00 -3.53 -0.13 0.00 0.52 0.00 0.00 34.95 31.82 2jcq s ARG 167 CO 0.00 -0.18 0.76 0.25 0.02 0.00 0.00 175.30 176.14 2jcq n THR 168 N 4.37 0.00 -3.84 0.02 -2.24 -1.26 -4.91 114.28 106.42 2jcq n THR 168 Ca 0.03 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 2jcq n THR 168 Cb 0.50 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.66 2jcq n THR 168 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jcq s HIS 169 N -2.39 3.05 0.38 4.78 3.76 -1.26 -4.99 115.29 118.62 2jcq s HIS 169 Ca 0.09 -0.53 0.11 0.00 -0.15 0.00 0.00 55.06 54.58 2jcq s HIS 169 Cb 0.13 -2.18 0.89 0.00 1.11 0.00 0.00 32.58 32.52 2jcq s HIS 169 CO 0.60 -0.37 1.89 0.37 -0.85 0.00 0.00 174.74 176.38 2jcq h GLN 170 N 8.06 0.59 0.00 1.40 5.75 -2.01 -1.21 115.11 127.69 2jcq h GLN 170 Ca -0.39 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.07 2jcq h GLN 170 Cb 1.17 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 2jcq h GLN 170 CO 0.59 0.39 -0.04 1.05 -2.65 0.00 0.00 178.83 178.17 2jcq h GLU 171 N 0.61 0.00 0.00 1.69 9.09 -2.01 0.69 114.58 124.65 2jcq h GLU 171 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 2jcq h GLU 171 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2jcq h GLU 171 CO -0.17 0.04 -0.21 -0.25 0.05 0.00 0.00 179.01 178.47 2jcq n ASP 172 N -3.30 0.22 -0.08 3.06 8.00 -0.46 -4.37 116.55 119.62 2jcq n ASP 172 Ca -0.02 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 2jcq n ASP 172 Cb 0.19 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 2jcq n ASP 172 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jcq n ILE 173 N -1.52 1.39 0.00 0.53 5.41 0.13 -5.06 119.36 120.23 2jcq n ILE 173 Ca 0.06 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.86 2jcq n ILE 173 Cb 0.34 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 2jcq n ILE 173 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88