#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpi s PHE 2 N 0.00 2.74 -0.14 3.17 0.08 -0.78 -4.90 117.98 118.17 2jpi s PHE 2 Ca 0.00 -0.19 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 2jpi s PHE 2 Cb 0.00 -2.61 0.06 0.00 -0.57 0.00 0.00 43.02 39.90 2jpi s PHE 2 CO 0.00 -0.75 0.30 0.50 -0.10 0.00 0.00 175.22 175.17 2jpi s ARG 3 N -4.62 0.23 0.32 0.44 6.06 -1.05 -3.60 118.95 116.73 2jpi s ARG 3 Ca 0.57 0.72 0.09 0.00 -2.50 0.00 0.00 55.73 54.61 2jpi s ARG 3 Cb -0.10 -0.02 -0.05 0.00 0.06 0.00 0.00 34.95 34.84 2jpi s ARG 3 CO 0.37 -0.22 -0.01 0.45 -2.50 0.00 0.00 175.30 173.39 2jpi s SER 4 N 1.86 4.19 -0.10 -2.12 0.15 -1.26 -2.90 113.70 113.52 2jpi s SER 4 Ca -0.05 -0.94 -0.05 0.00 0.70 0.00 0.00 55.95 55.62 2jpi s SER 4 Cb -0.11 -0.56 0.05 0.00 -1.71 0.00 0.00 66.02 63.69 2jpi s SER 4 CO -0.10 -0.18 0.23 0.42 1.20 0.00 0.00 173.24 174.81 2jpi s THR 5 N -2.49 -0.11 -0.16 6.45 -4.23 -1.26 -3.53 115.64 110.31 2jpi s THR 5 Ca 0.34 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 2jpi s THR 5 Cb -0.02 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 2jpi s THR 5 CO 0.19 0.08 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.76 2jpi s SER 6 N 1.49 4.80 -0.12 3.99 0.15 -0.36 -3.75 113.70 119.89 2jpi s SER 6 Ca -0.07 -0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 2jpi s SER 6 Cb -0.11 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.40 2jpi s SER 6 CO -0.08 0.17 -0.12 -2.28 1.20 0.00 0.00 173.24 172.13 2jpi s HIS 7 N 0.38 2.83 0.03 3.44 2.46 -1.25 -1.23 115.29 121.94 2jpi s HIS 7 Ca -0.04 -0.55 -0.00 0.00 0.47 0.00 0.00 55.06 54.94 2jpi s HIS 7 Cb -0.14 -1.84 -0.03 0.00 -0.13 0.00 0.00 32.58 30.44 2jpi s HIS 7 CO 0.03 -0.14 -0.03 0.08 -2.47 0.00 0.00 174.74 172.21 2jpi s VAL 8 N 0.23 0.15 -0.46 0.89 1.01 -1.01 -4.25 120.40 116.97 2jpi s VAL 8 Ca -0.08 -1.23 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 2jpi s VAL 8 Cb -0.15 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.58 2jpi s VAL 8 CO 0.05 -0.68 0.37 -0.13 0.00 0.00 0.00 175.10 174.71 2jpi s ARG 9 N -2.35 2.95 0.13 2.72 3.00 -1.26 -2.30 118.95 121.84 2jpi s ARG 9 Ca -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 55.73 54.41 2jpi s ARG 9 Cb -0.03 -4.08 -0.04 0.00 0.00 0.00 0.00 34.95 30.80 2jpi s ARG 9 CO -0.04 -0.97 -0.13 -0.08 0.00 0.00 0.00 175.30 174.08 2jpi s THR 10 N 1.63 1.29 0.00 0.02 -1.32 -1.07 -4.98 115.64 111.21 2jpi s THR 10 Ca 0.04 -1.85 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2jpi s THR 10 Cb -0.23 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.07 -0.54 0.06 -1.61 -2.21 0.00 0.00 174.62 170.39 2jpi s GLU 11 N -3.08 2.97 -1.84 7.08 2.02 -1.26 -2.10 118.70 122.50 2jpi s GLU 11 Ca 0.12 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2jpi s GLU 11 Cb -0.02 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2jpi s GLU 11 CO 0.02 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.22 -5.53 -0.05 -0.19 2.88 0.57 -4.89 113.62 107.63 2jpi n SER 12 Ca -0.13 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2jpi n SER 12 Cb 0.53 -4.71 -0.02 0.00 -0.75 0.00 0.00 64.21 59.26 2jpi n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpi h ALA 13 N 0.70 -0.10 -1.03 -1.46 0.00 -1.70 -2.54 119.26 113.14 2jpi h ALA 13 Ca -0.45 0.08 0.30 0.00 0.00 0.00 0.00 54.91 54.84 2jpi h ALA 13 Cb 1.33 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 2jpi h ALA 13 CO 0.57 -0.65 1.14 0.00 0.00 0.00 0.00 179.25 180.31 2jpi h ALA 14 N 0.84 2.94 0.25 0.00 0.00 -1.52 0.45 119.26 122.22 2jpi h ALA 14 Ca 0.14 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 2jpi h ALA 14 Cb 0.45 0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.35 2jpi h ALA 14 CO -0.39 -1.67 -1.45 -0.09 0.00 0.00 0.00 179.25 175.66 2jpi h ARG 15 N 0.00 0.54 0.00 0.00 1.12 -1.75 -2.55 114.38 111.74 2jpi h ARG 15 Ca 0.49 -0.92 -0.02 0.00 -1.11 0.00 0.00 59.98 58.42 2jpi h ARG 15 Cb 2.76 0.34 -0.00 0.00 -0.01 0.00 0.00 29.97 33.06 2jpi h ARG 15 CO -0.01 1.44 -0.11 1.88 -3.11 0.00 0.00 179.97 180.07 2jpi h TYR 16 N 0.12 0.00 0.12 2.20 0.05 -0.22 0.23 116.97 119.48 2jpi h TYR 16 Ca -0.25 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.34 2jpi h TYR 16 Cb 2.15 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.91 2jpi h TYR 16 CO 0.13 0.11 -0.80 0.28 -1.05 0.00 0.00 178.16 176.84 2jpi h VAL 17 N 0.00 1.50 0.00 -2.88 2.07 -1.48 -3.10 116.25 112.35 2jpi h VAL 17 Ca -0.00 -2.47 -0.09 0.00 0.82 0.00 0.00 66.70 64.96 2jpi h VAL 17 Cb 0.36 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 2jpi h VAL 17 CO 0.01 0.70 -0.41 0.78 0.02 0.00 0.00 177.57 178.68 2jpi h ASN 18 N -0.32 0.00 1.60 0.57 2.35 -1.00 -2.80 115.58 115.97 2jpi h ASN 18 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2jpi h ASN 18 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.98 2jpi h ASN 18 CO 0.15 0.41 0.00 -0.09 -1.65 0.00 0.00 177.43 176.25 2jpi h ARG 19 N 0.00 0.00 -0.10 0.81 9.65 -0.63 -3.31 114.38 120.80 2jpi h ARG 19 Ca -0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 2jpi h ARG 19 Cb 0.77 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2jpi h ARG 19 CO 0.05 0.00 -0.12 -0.07 2.80 0.00 0.00 179.97 182.63 2jpi h LEU 20 N 0.00 0.28 -1.66 3.80 3.38 -1.41 0.05 115.31 119.75 2jpi h LEU 20 Ca 0.00 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.54 2jpi h LEU 20 Cb 0.80 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2jpi h LEU 20 CO 0.00 0.73 0.35 0.00 0.09 0.00 0.00 178.44 179.62 2jpi h LYS 22 N 0.40 0.00 0.00 0.00 1.57 -1.67 -1.95 116.57 114.92 2jpi h LYS 22 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2jpi h LYS 22 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2jpi h LYS 22 CO -0.06 0.09 -0.25 1.25 -0.57 0.00 0.00 179.45 179.90 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.14 -3.40 115.15 113.30 2jpi h HIS 23 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2jpi h HIS 23 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2jpi h HIS 23 CO 0.00 0.00 -0.58 1.87 -1.30 0.00 0.00 177.93 177.92 2jpi n TRP 24 N -4.69 0.36 -0.78 5.26 -0.00 0.16 -4.58 117.44 113.17 2jpi n TRP 24 Ca -0.04 0.10 -0.29 0.00 -0.00 0.00 0.00 57.50 57.28 2jpi n TRP 24 Cb 0.13 -0.52 -0.04 0.00 -0.00 0.00 0.00 31.31 30.88 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2jpi n GLY 25 N 1.39 2.55 0.02 5.87 0.00 -0.73 -3.94 105.19 110.36 2jpi n GLY 25 Ca 0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 2jpi n GLY 25 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jpi n HIS 26 N 5.84 0.00 -2.02 1.61 -0.00 -1.26 -4.79 115.22 114.59 2jpi n HIS 26 Ca 0.41 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.59 2jpi n HIS 26 Cb 0.23 -0.28 -0.00 0.00 -0.12 0.00 0.00 29.99 29.82 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2jpi n LYS 27 N -2.09 0.00 -4.14 1.57 0.00 -1.25 -5.13 118.16 107.12 2jpi n LYS 27 Ca -0.08 -0.52 -0.09 0.00 0.00 0.00 0.00 58.31 57.62 2jpi n LYS 27 Cb 0.55 -0.15 -0.10 0.00 0.00 0.00 0.00 35.03 35.34 2jpi n LYS 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2jpi s PHE 28 N 0.00 0.80 -0.71 5.64 0.08 -1.26 -5.10 117.98 117.42 2jpi s PHE 28 Ca 0.02 -1.20 -0.25 0.00 0.12 0.00 0.00 56.93 55.61 2jpi s PHE 28 Cb 0.02 -0.46 0.05 0.00 -0.57 0.00 0.00 43.02 42.05 2jpi s PHE 28 CO -0.01 -0.49 1.16 -1.83 -0.10 0.00 0.00 175.22 173.96 2jpi s GLU 29 N -4.02 3.17 -0.29 0.44 -1.05 -1.25 -4.77 118.70 110.92 2jpi s GLU 29 Ca 0.21 -0.48 -0.02 0.00 -0.15 0.00 0.00 54.97 54.53 2jpi s GLU 29 Cb 0.08 -4.21 0.04 0.00 -0.44 0.00 0.00 34.13 29.59 2jpi s GLU 29 CO -0.01 -2.03 -0.00 0.14 0.95 0.00 0.00 175.26 174.31 2jpi s VAL 30 N 5.10 3.09 0.02 1.83 -7.23 -1.24 -2.76 120.40 119.20 2jpi s VAL 30 Ca 0.30 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 59.13 2jpi s VAL 30 Cb -0.11 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 2jpi s VAL 30 CO 0.13 -0.00 0.42 -1.61 -0.31 0.00 0.00 175.10 173.73 2jpi s GLU 31 N 1.31 3.93 -0.27 4.82 2.02 -0.05 -4.89 118.70 125.56 2jpi s GLU 31 Ca -0.03 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.41 2jpi s GLU 31 Cb -0.19 -3.19 0.07 0.00 0.10 0.00 0.00 34.13 30.92 2jpi s GLU 31 CO -0.01 0.67 -0.07 -1.17 0.02 0.00 0.00 175.26 174.69 2jpi s LEU 32 N -1.19 3.41 0.26 1.80 0.20 -1.26 -2.28 118.68 119.61 2jpi s LEU 32 Ca 0.26 -1.46 0.06 0.00 0.69 0.00 0.00 54.13 53.68 2jpi s LEU 32 Cb -0.17 -1.46 -0.05 0.00 -0.43 0.00 0.00 46.19 44.08 2jpi s LEU 32 CO 0.14 -0.23 -0.06 0.42 -0.29 0.00 0.00 176.35 176.33 2jpi s THR 33 N 1.15 1.56 -0.30 3.68 -4.23 -1.19 -5.02 115.64 111.29 2jpi s THR 33 Ca -0.05 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.28 2jpi s THR 33 Cb -0.20 -2.37 -0.20 0.00 1.34 0.00 0.00 72.50 71.07 2jpi s THR 33 CO -0.06 -0.35 3.14 -0.81 -0.54 0.00 0.00 174.62 176.00 2jpi n PRO 34 N -0.53 2.07 0.00 3.99 -0.04 -1.26 -3.14 135.00 136.09 2jpi n PRO 34 Ca -0.06 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2jpi n PRO 34 Cb 0.63 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2jpi n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jpi n GLU 35 N 2.81 0.00 -3.69 0.54 1.02 -1.26 -5.06 120.64 115.00 2jpi n GLU 35 Ca 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.57 2jpi n GLU 35 Cb 0.68 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.09 2jpi n GLU 35 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jpi s ARG 36 N -1.00 0.86 -0.23 3.49 1.70 -1.19 -2.26 118.95 120.32 2jpi s ARG 36 Ca 0.00 -0.47 -0.06 0.00 -0.47 0.00 0.00 55.73 54.74 2jpi s ARG 36 Cb 0.00 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 2jpi s ARG 36 CO 0.00 -0.39 0.01 0.20 -1.08 0.00 0.00 175.30 174.04 2jpi s GLY 37 N -2.92 1.69 -0.35 3.88 0.00 -0.39 -3.17 107.32 106.06 2jpi s GLY 37 Ca 0.13 -1.13 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 2jpi s GLY 37 CO -0.01 0.45 0.26 -0.12 0.00 0.00 0.00 173.10 173.68 2jpi s PHE 38 N 1.47 3.23 -0.24 1.90 5.36 -0.97 -1.97 117.98 126.77 2jpi s PHE 38 Ca 0.05 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 2jpi s PHE 38 Cb -0.15 -2.51 0.06 0.00 -0.34 0.00 0.00 43.02 40.08 2jpi s PHE 38 CO 0.00 -0.40 -0.05 0.42 -1.46 0.00 0.00 175.22 173.73 2jpi s ILE 39 N 1.74 1.55 -0.16 3.12 1.01 -1.04 -0.87 121.20 126.55 2jpi s ILE 39 Ca 0.06 -1.25 -0.06 0.00 0.00 0.00 0.00 60.65 59.41 2jpi s ILE 39 Cb -0.18 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2jpi s ILE 39 CO 0.11 -0.11 0.02 -0.62 0.00 0.00 0.00 174.94 174.34 2jpi s ASP 40 N 1.38 5.32 0.00 3.58 -1.08 -1.11 -0.96 116.67 123.80 2jpi s ASP 40 Ca -0.06 0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.22 2jpi s ASP 40 Cb -0.19 -1.85 0.56 0.00 -1.46 0.00 0.00 42.92 39.97 2jpi s ASP 40 CO -0.06 0.20 1.48 0.49 0.52 0.00 0.00 175.17 177.80 2jpi n PHE 41 N 3.35 0.76 0.00 -5.34 3.01 -1.07 -3.96 117.46 114.21 2jpi n PHE 41 Ca -0.17 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 57.91 2jpi n PHE 41 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpi n GLY 42 N 1.57 1.30 2.31 1.37 0.00 -1.26 -4.80 105.19 105.68 2jpi n GLY 42 Ca 0.22 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 2jpi n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpi n ASP 43 N 0.00 6.55 0.00 1.61 9.92 -1.26 -4.78 116.55 128.59 2jpi n ASP 43 Ca 0.00 -2.90 0.00 0.00 -0.53 0.00 0.00 54.79 51.36 2jpi n ASP 43 Cb 0.00 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.13 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2jpi n SER 44 N 1.81 0.00 -3.94 -2.24 3.41 -1.26 -4.43 113.62 106.97 2jpi n SER 44 Ca 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 2jpi n SER 44 Cb 0.59 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2jpi n SER 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2jpi s ASN 45 N 0.00 -0.09 -0.28 4.04 -0.87 0.25 -2.60 114.94 115.38 2jpi s ASN 45 Ca 0.00 -0.90 0.01 0.00 -1.57 0.00 0.00 52.86 50.41 2jpi s ASN 45 Cb 0.00 0.62 0.16 0.00 -0.02 0.00 0.00 41.25 42.01 2jpi s ASN 45 CO 0.00 -1.19 0.42 0.00 -2.57 0.00 0.00 177.10 173.76 2jpi s GLU 47 N 2.58 3.54 -0.13 0.00 2.12 0.49 -2.50 118.70 124.79 2jpi s GLU 47 Ca 0.11 -0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.11 2jpi s GLU 47 Cb -0.13 -2.82 0.06 0.00 0.26 0.00 0.00 34.13 31.50 2jpi s GLU 47 CO -0.26 0.38 0.12 -1.17 -0.54 0.00 0.00 175.26 173.79 2jpi s LEU 48 N -3.32 0.14 -0.06 2.70 2.96 -0.83 -2.30 118.68 117.98 2jpi s LEU 48 Ca 0.39 -0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 2jpi s LEU 48 Cb -0.11 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.51 2jpi s LEU 48 CO 0.29 -0.30 0.58 -0.22 -1.32 0.00 0.00 176.35 175.37 2jpi s LEU 49 N 2.21 4.35 -0.16 -0.68 2.96 0.31 -1.27 118.68 126.40 2jpi s LEU 49 Ca 0.04 1.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 2jpi s LEU 49 Cb -0.14 -2.88 0.07 0.00 0.50 0.00 0.00 46.19 43.74 2jpi s LEU 49 CO -0.07 0.02 0.19 0.00 -1.32 0.00 0.00 176.35 175.17 2jpi s ALA 50 N 0.28 -0.17 0.33 5.97 0.00 -0.96 0.11 121.76 127.32 2jpi s ALA 50 Ca 0.31 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.68 2jpi s ALA 50 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2jpi s ALA 50 CO 0.15 -0.96 0.10 -1.58 0.00 0.00 0.00 175.76 173.47 2jpi s HIS 51 N 2.30 2.68 0.65 0.00 2.46 0.27 -2.46 115.29 121.19 2jpi s HIS 51 Ca 0.05 -0.37 0.13 0.00 0.47 0.00 0.00 55.06 55.34 2jpi s HIS 51 Cb -0.14 -1.55 0.72 0.00 -0.13 0.00 0.00 32.58 31.47 2jpi s HIS 51 CO -0.09 0.40 1.40 -1.35 -2.47 0.00 0.00 174.74 172.62 2jpi h PRO 52 N 1.64 0.00 0.00 2.88 0.11 -1.91 -2.52 132.00 132.20 2jpi h PRO 52 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jpi h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jpi h PRO 52 CO 0.64 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.96 2jpi n ASP 53 N -2.64 0.00 -3.92 -2.05 2.03 -1.22 -0.31 116.55 108.44 2jpi n ASP 53 Ca -0.01 -1.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.21 2jpi n ASP 53 Cb 0.72 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 41.03 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2jpi s HIS 54 N 0.00 0.21 -0.00 -0.67 -3.43 -0.89 -2.60 115.29 107.90 2jpi s HIS 54 Ca 0.00 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 2jpi s HIS 54 Cb 0.00 -0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 2jpi s HIS 54 CO 0.00 -0.41 0.00 0.54 -2.00 0.00 0.00 174.74 172.88 2jpi s VAL 55 N -2.98 -0.01 0.07 -5.38 0.11 -0.97 0.95 120.40 112.18 2jpi s VAL 55 Ca -0.02 0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 2jpi s VAL 55 Cb 0.01 -0.02 -0.03 0.00 -1.53 0.00 0.00 36.38 34.81 2jpi s VAL 55 CO -0.06 0.01 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.71 2jpi s LEU 56 N 0.18 2.21 -0.19 2.54 1.43 0.30 -2.39 118.68 122.76 2jpi s LEU 56 Ca -0.01 -0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2jpi s LEU 56 Cb -0.02 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 45.04 2jpi s LEU 56 CO -0.00 0.22 -0.06 -0.04 0.23 0.00 0.00 176.35 176.69 2jpi s MET 57 N -1.47 1.58 -0.04 1.70 -1.94 -0.37 0.12 119.30 118.89 2jpi s MET 57 Ca 0.11 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 2jpi s MET 57 Cb -0.10 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 2jpi s MET 57 CO 0.03 -0.47 -0.20 0.42 -0.01 0.00 0.00 175.02 174.79 2jpi s ILE 58 N 1.54 1.65 0.06 2.53 1.01 -0.97 -1.22 121.20 125.79 2jpi s ILE 58 Ca -0.01 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 59.88 2jpi s ILE 58 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2jpi s ILE 58 CO -0.08 0.47 -0.26 -1.48 0.00 0.00 0.00 174.94 173.59 2jpi s LEU 59 N -0.20 2.20 -0.31 2.97 -0.00 -1.23 -0.38 118.68 121.72 2jpi s LEU 59 Ca 0.01 -0.62 0.03 0.00 -0.00 0.00 0.00 54.13 53.55 2jpi s LEU 59 Cb -0.11 -1.27 0.09 0.00 -0.00 0.00 0.00 46.19 44.91 2jpi s LEU 59 CO 0.01 0.24 0.01 0.20 -0.00 0.00 0.00 176.35 176.82 2jpi s ASN 60 N -1.40 4.57 -0.12 1.48 0.01 -1.01 -4.16 114.94 114.32 2jpi s ASN 60 Ca 0.12 -1.89 -0.08 0.00 -0.71 0.00 0.00 52.86 50.30 2jpi s ASN 60 Cb -0.10 -1.51 0.04 0.00 0.41 0.00 0.00 41.25 40.09 2jpi s ASN 60 CO 0.03 -0.33 0.29 -0.44 -1.51 0.00 0.00 177.10 175.14 2jpi s SER 61 N 1.04 -0.32 0.17 -1.22 0.01 -1.24 0.85 113.70 112.98 2jpi s SER 61 Ca 0.05 0.61 0.15 0.00 1.31 0.00 0.00 55.95 58.08 2jpi s SER 61 Cb -0.19 0.56 0.73 0.00 0.21 0.00 0.00 66.02 67.33 2jpi s SER 61 CO -0.09 -0.14 1.47 -0.81 0.41 0.00 0.00 173.24 174.09 2jpi n PRO 62 N 3.61 0.09 -3.97 12.44 -0.04 -1.26 -1.86 135.00 144.01 2jpi n PRO 62 Ca -0.19 0.48 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2jpi n PRO 62 Cb 0.56 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 2jpi n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jpi s ASP 63 N -3.64 0.23 0.19 3.54 1.01 -1.26 -3.91 116.67 112.83 2jpi s ASP 63 Ca 0.02 -0.51 -0.13 0.00 0.71 0.00 0.00 52.55 52.64 2jpi s ASP 63 Cb 0.06 0.14 0.10 0.00 1.01 0.00 0.00 42.92 44.23 2jpi s ASP 63 CO 0.21 -0.37 1.84 -0.33 0.21 0.00 0.00 175.17 176.73 2jpi h GLU 64 N 4.29 0.82 -0.49 8.23 3.07 -1.96 0.81 114.58 129.34 2jpi h GLU 64 Ca -0.32 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 58.57 2jpi h GLU 64 Cb 1.20 -0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.82 2jpi h GLU 64 CO 0.45 0.56 -0.34 0.22 -1.40 0.00 0.00 179.01 178.50 2jpi h ASP 65 N 0.84 -1.14 0.67 1.42 1.82 -1.97 1.46 116.42 119.51 2jpi h ASP 65 Ca 0.22 0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 57.04 2jpi h ASP 65 Cb -0.07 0.55 0.01 0.00 0.68 0.00 0.00 39.33 40.49 2jpi h ASP 65 CO -0.05 -0.31 -0.32 -1.28 -1.61 0.00 0.00 179.24 175.67 2jpi h SER 66 N -0.21 -0.76 -0.98 2.28 0.87 -1.87 0.55 113.55 113.43 2jpi h SER 66 Ca 0.20 -0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2jpi h SER 66 Cb 0.55 0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 62.58 2jpi h SER 66 CO -0.61 -0.47 -0.58 -0.11 -0.53 0.00 0.00 176.83 174.54 2jpi n LEU 67 N -5.43 -1.03 -0.09 2.23 0.00 0.28 -0.13 117.00 112.82 2jpi n LEU 67 Ca -0.13 1.75 -0.06 0.00 0.00 0.00 0.00 56.01 57.57 2jpi n LEU 67 Cb 0.37 -0.23 0.13 0.00 0.00 0.00 0.00 43.42 43.69 2jpi n LEU 67 CO 0.35 -1.42 0.78 0.00 0.00 0.00 0.00 177.39 177.10 2jpi h ALA 68 N 0.47 0.99 -0.84 1.96 0.00 0.19 -1.02 119.26 121.01 2jpi h ALA 68 Ca 0.16 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2jpi h ALA 68 Cb 0.40 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2jpi h ALA 68 CO -0.92 0.60 0.55 1.25 0.00 0.00 0.00 179.25 180.73 2jpi h HIS 69 N 0.69 0.79 0.01 0.00 -0.00 0.19 0.11 115.15 116.94 2jpi h HIS 69 Ca 0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2jpi h HIS 69 Cb 0.61 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 2jpi h HIS 69 CO 0.03 0.33 -0.01 0.52 -0.00 0.00 0.00 177.93 178.80 2jpi h MET 70 N 0.70 -0.02 -0.53 5.26 2.86 -0.08 -2.38 114.93 120.75 2jpi h MET 70 Ca 0.41 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.20 2jpi h MET 70 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2jpi h MET 70 CO -0.17 0.21 0.44 -0.56 1.06 0.00 0.00 176.91 177.89 2jpi h GLN 71 N -1.00 0.00 0.18 1.72 3.07 -1.03 -1.20 115.11 116.85 2jpi h GLN 71 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.46 2jpi h GLN 71 Cb 0.24 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.82 2jpi h GLN 71 CO 0.00 0.00 -1.30 -0.97 0.09 0.00 0.00 178.83 176.65 2jpi h ASN 72 N 0.00 0.60 -0.88 0.06 -0.73 -0.88 -3.20 115.58 110.54 2jpi h ASN 72 Ca 0.25 -0.92 0.24 0.00 1.87 0.00 0.00 56.30 57.74 2jpi h ASN 72 Cb 1.13 -0.20 -0.15 0.00 0.27 0.00 0.00 38.32 39.37 2jpi h ASN 72 CO -0.00 1.61 0.16 0.58 -0.37 0.00 0.00 177.43 179.41 2jpi h VAL 73 N -0.12 0.25 -0.16 2.57 2.07 -0.66 0.18 116.25 120.37 2jpi h VAL 73 Ca -0.24 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2jpi h VAL 73 Cb 1.91 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2jpi h VAL 73 CO 0.18 0.03 -0.16 0.58 0.02 0.00 0.00 177.57 178.22 2jpi h VAL 74 N 0.14 1.34 -0.87 2.57 2.07 -1.65 -2.78 116.25 117.07 2jpi h VAL 74 Ca 0.55 -1.31 0.25 0.00 0.82 0.00 0.00 66.70 67.01 2jpi h VAL 74 Cb 1.10 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 2jpi h VAL 74 CO -0.71 0.39 0.77 0.00 0.02 0.00 0.00 177.57 178.04 2jpi h ALA 75 N 0.63 2.72 0.06 1.67 0.00 -0.69 0.71 119.26 124.36 2jpi h ALA 75 Ca 0.03 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2jpi h ALA 75 Cb 0.69 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.57 2jpi h ALA 75 CO 0.04 -1.22 -1.02 0.22 0.00 0.00 0.00 179.25 177.27 2jpi h ASP 76 N 0.00 0.80 -0.83 0.00 1.82 -1.00 -3.24 116.42 113.97 2jpi h ASP 76 Ca 0.41 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2jpi h ASP 76 Cb 1.95 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 41.67 2jpi h ASP 76 CO -0.00 1.50 0.52 0.45 -1.61 0.00 0.00 179.24 180.09 2jpi h HIS 77 N 0.19 1.06 0.00 0.28 3.86 0.57 -1.31 115.15 119.81 2jpi h HIS 77 Ca -0.14 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2jpi h HIS 77 Cb 1.70 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.82 2jpi h HIS 77 CO 0.12 0.69 0.00 -0.07 0.86 0.00 0.00 177.93 179.53 2jpi h LEU 78 N 1.13 0.00 0.39 2.43 3.38 -1.46 -3.10 115.31 118.07 2jpi h LEU 78 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2jpi h LEU 78 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jpi h LEU 78 CO -0.06 0.00 -0.19 1.56 0.09 0.00 0.00 178.44 179.84 2jpi h GLN 79 N 0.00 -0.50 -0.56 1.13 1.08 -1.26 -2.75 115.11 112.25 2jpi h GLN 79 Ca 0.00 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.37 2jpi h GLN 79 Cb 0.28 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 2jpi h GLN 79 CO 0.00 -0.33 0.39 0.07 -0.95 0.00 0.00 178.83 178.00 2jpi h ARG 80 N -1.01 0.14 0.00 1.46 0.11 -1.54 0.21 114.38 113.75 2jpi h ARG 80 Ca -0.05 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2jpi h ARG 80 Cb 0.40 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2jpi h ARG 80 CO 0.09 0.09 0.00 0.00 0.10 0.00 0.00 179.97 180.25 2jpi h MET 81 N 0.14 0.00 -2.99 0.08 -0.00 -1.60 -3.39 114.93 107.17 2jpi h MET 81 Ca 0.27 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 59.36 2jpi h MET 81 Cb 0.86 0.00 -0.40 0.00 -0.00 0.00 0.00 31.60 32.06 2jpi h MET 81 CO -0.04 0.00 -0.75 0.00 -0.00 0.00 0.00 176.91 176.12 2jpi s ALA 82 N -3.17 1.93 -0.48 -3.00 0.00 0.75 -5.09 121.76 112.70 2jpi s ALA 82 Ca 0.09 -2.40 -0.27 0.00 0.00 0.00 0.00 51.96 49.38 2jpi s ALA 82 Cb 0.10 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.43 2jpi s ALA 82 CO 0.59 -2.03 1.01 -0.80 0.00 0.00 0.00 175.76 174.52 2jpi s ASN 83 N 0.58 6.52 0.00 0.00 0.02 -1.24 -4.26 114.94 116.56 2jpi s ASN 83 Ca 0.17 0.18 0.00 0.00 -1.02 0.00 0.00 52.86 52.19 2jpi s ASN 83 Cb -0.24 -2.49 0.00 0.00 0.02 0.00 0.00 41.25 38.55 2jpi s ASN 83 CO -0.02 -1.16 0.00 -0.24 0.02 0.00 0.00 177.10 175.71 2jpi n SER 84 N 7.48 0.00 -3.79 -1.22 2.88 -1.26 -5.16 113.62 112.55 2jpi n SER 84 Ca 0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 2jpi n SER 84 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2jpi s GLU 85 N 0.00 1.77 -1.39 -1.46 -1.05 -1.26 -5.06 118.70 110.26 2jpi s GLU 85 Ca 0.00 -1.12 -0.15 0.00 -0.15 0.00 0.00 54.97 53.55 2jpi s GLU 85 Cb 0.00 0.57 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 2jpi s GLU 85 CO 0.00 -0.80 2.17 0.45 0.95 0.00 0.00 175.26 178.03 2jpi n SER 86 N -0.55 3.84 -0.17 0.83 2.88 -1.26 -4.81 113.62 114.37 2jpi n SER 86 Ca -0.04 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 2jpi n SER 86 Cb 0.60 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpi n LEU 87 N 6.45 -0.07 -4.55 2.46 7.99 -1.26 -4.66 117.00 123.36 2jpi n LEU 87 Ca 0.52 0.08 -0.38 0.00 -0.01 0.00 0.00 56.01 56.21 2jpi n LEU 87 Cb 0.40 -0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.56 2jpi n LEU 87 CO 0.90 -0.14 1.42 -0.70 -1.51 0.00 0.00 177.39 177.36 2jpi s GLU 88 N 0.00 2.88 -0.08 3.23 2.12 -1.26 -4.94 118.70 120.65 2jpi s GLU 88 Ca 0.00 0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.46 2jpi s GLU 88 Cb 0.00 -4.44 0.02 0.00 0.26 0.00 0.00 34.13 29.96 2jpi s GLU 88 CO 0.00 -2.56 -0.11 0.96 -0.54 0.00 0.00 175.26 173.01 2jpi s ILE 89 N 7.75 1.08 -0.41 -3.70 -0.00 -1.26 -4.81 121.20 119.85 2jpi s ILE 89 Ca 0.55 -0.41 -0.16 0.00 -0.00 0.00 0.00 60.65 60.62 2jpi s ILE 89 Cb -0.10 -1.02 0.02 0.00 -0.00 0.00 0.00 42.46 41.36 2jpi s ILE 89 CO 0.15 0.35 0.39 0.00 -0.00 0.00 0.00 174.94 175.83 2jpi s ALA 90 N 0.94 3.45 -0.11 2.27 0.00 -1.26 -5.02 121.76 122.02 2jpi s ALA 90 Ca -0.09 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 2jpi s ALA 90 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2jpi s ALA 90 CO 0.00 -1.50 0.36 1.67 0.00 0.00 0.00 175.76 176.30 2jpi s TRP 91 N 2.01 3.54 0.37 0.00 1.48 -1.26 -3.92 118.94 121.16 2jpi s TRP 91 Ca 0.10 0.77 -0.07 0.00 -1.06 0.00 0.00 56.10 55.84 2jpi s TRP 91 Cb -0.17 -2.37 -0.05 0.00 -1.16 0.00 0.00 33.47 29.71 2jpi s TRP 91 CO 0.13 0.33 0.68 -0.65 -4.06 0.00 0.00 176.95 173.38 2jpi s GLN 92 N 0.09 3.66 0.34 3.25 -0.21 -1.25 -4.98 119.66 120.57 2jpi s GLN 92 Ca 0.21 0.19 0.12 0.00 0.02 0.00 0.00 55.36 55.90 2jpi s GLN 92 Cb -0.14 -2.50 0.95 0.00 1.00 0.00 0.00 33.01 32.32 2jpi s GLN 92 CO 0.08 0.04 1.74 -1.35 -2.12 0.00 0.00 175.29 173.68 2jpi h PRO 93 N 1.18 0.51 -0.32 2.91 0.11 -1.95 -3.42 132.00 131.03 2jpi h PRO 93 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jpi h PRO 93 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jpi h PRO 93 CO 0.64 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 2jpi n ALA 94 N -2.36 -0.01 -2.36 -0.75 0.00 -1.26 -4.81 120.51 108.96 2jpi n ALA 94 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2jpi n ALA 94 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2jpi n ALA 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jpi n GLU 95 N -0.16 -5.25 0.00 0.00 2.13 -1.14 -2.54 120.64 113.68 2jpi n GLU 95 Ca 0.00 3.80 0.00 0.00 0.66 0.00 0.00 57.16 61.62 2jpi n GLU 95 Cb 0.07 -4.76 0.00 0.00 0.27 0.00 0.00 31.44 27.02 2jpi n GLU 95 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59