#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 2.73 -0.15 3.17 0.08 -0.78 -4.91 117.98 118.13 2jpi s PHE 2 Ca 0.00 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.68 2jpi s PHE 2 Cb 0.00 -2.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.03 2jpi s PHE 2 CO 0.00 -0.60 0.33 0.50 -0.10 0.00 0.00 175.22 175.35 2jpi s ARG 3 N -4.49 0.25 0.31 0.44 6.06 -0.86 -3.62 118.95 117.04 2jpi s ARG 3 Ca 0.56 0.77 0.09 0.00 -2.50 0.00 0.00 55.73 54.65 2jpi s ARG 3 Cb -0.10 0.02 -0.05 0.00 0.06 0.00 0.00 34.95 34.89 2jpi s ARG 3 CO 0.35 -0.22 -0.01 0.45 -2.50 0.00 0.00 175.30 173.37 2jpi s SER 4 N 1.95 4.27 -0.11 -2.12 0.15 -1.26 -3.30 113.70 113.29 2jpi s SER 4 Ca -0.04 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.70 2jpi s SER 4 Cb -0.11 -0.62 0.05 0.00 -1.71 0.00 0.00 66.02 63.63 2jpi s SER 4 CO -0.10 -0.13 0.23 0.42 1.20 0.00 0.00 173.24 174.85 2jpi s THR 5 N -2.45 -0.17 -0.13 6.45 -4.23 -1.26 -3.55 115.64 110.30 2jpi s THR 5 Ca 0.33 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2jpi s THR 5 Cb -0.03 -0.38 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 2jpi s THR 5 CO 0.19 0.09 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.79 2jpi s SER 6 N 1.69 4.96 -0.10 3.99 0.15 -0.35 -3.74 113.70 120.31 2jpi s SER 6 Ca -0.05 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.59 2jpi s SER 6 Cb -0.11 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 2jpi s SER 6 CO -0.08 0.24 -0.19 -2.28 1.20 0.00 0.00 173.24 172.12 2jpi s HIS 7 N -0.03 2.65 0.03 3.44 2.46 -1.25 -1.21 115.29 121.38 2jpi s HIS 7 Ca 0.02 -0.77 -0.01 0.00 0.47 0.00 0.00 55.06 54.77 2jpi s HIS 7 Cb -0.13 -1.74 -0.03 0.00 -0.13 0.00 0.00 32.58 30.56 2jpi s HIS 7 CO 0.02 -0.26 -0.02 0.08 -2.47 0.00 0.00 174.74 172.09 2jpi s VAL 8 N 0.18 0.15 -0.47 0.89 1.01 -1.04 -4.16 120.40 116.96 2jpi s VAL 8 Ca -0.11 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2jpi s VAL 8 Cb -0.16 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.57 2jpi s VAL 8 CO 0.06 -0.67 0.40 -0.13 0.00 0.00 0.00 175.10 174.76 2jpi s ARG 9 N -2.34 2.98 0.13 2.72 3.00 -1.26 -2.35 118.95 121.83 2jpi s ARG 9 Ca -0.08 -1.32 0.05 0.00 0.00 0.00 0.00 55.73 54.39 2jpi s ARG 9 Cb -0.03 -4.12 -0.04 0.00 0.00 0.00 0.00 34.95 30.75 2jpi s ARG 9 CO -0.04 -1.02 -0.12 -0.08 0.00 0.00 0.00 175.30 174.04 2jpi s THR 10 N 1.67 1.22 0.05 0.02 -1.32 -1.11 -4.98 115.64 111.21 2jpi s THR 10 Ca 0.04 -1.85 0.02 0.00 -1.21 0.00 0.00 61.69 58.69 2jpi s THR 10 Cb -0.24 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 2jpi s THR 10 CO 0.07 -0.57 0.07 -0.70 -2.21 0.00 0.00 174.62 171.28 2jpi s GLU 11 N -3.13 2.91 -1.65 7.08 -6.30 -1.26 -2.02 118.70 114.33 2jpi s GLU 11 Ca 0.12 -0.63 0.00 0.00 -2.50 0.00 0.00 54.97 51.95 2jpi s GLU 11 Cb -0.02 -2.75 0.00 0.00 0.00 0.00 0.00 34.13 31.36 2jpi s GLU 11 CO 0.02 0.59 0.00 0.45 0.02 0.00 0.00 175.26 176.34 2jpi n SER 12 N 0.75 -5.16 -0.11 -1.70 2.88 0.60 -4.87 113.62 106.00 2jpi n SER 12 Ca -0.10 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.54 2jpi n SER 12 Cb 0.52 -4.39 0.01 0.00 -0.75 0.00 0.00 64.21 59.60 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 0.81 0.25 -0.91 -1.46 0.00 -1.69 -2.61 119.26 113.65 2jpi h ALA 13 Ca -0.42 0.15 0.26 0.00 0.00 0.00 0.00 54.91 54.90 2jpi h ALA 13 Cb 1.29 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2jpi h ALA 13 CO 0.52 -0.45 1.07 0.00 0.00 0.00 0.00 179.25 180.39 2jpi h ALA 14 N 1.38 2.81 0.17 0.00 0.00 -1.57 0.34 119.26 122.38 2jpi h ALA 14 Ca 0.18 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 2jpi h ALA 14 Cb 0.28 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jpi h ALA 14 CO -0.39 -1.54 -1.42 -0.09 0.00 0.00 0.00 179.25 175.81 2jpi h ARG 15 N 0.00 0.35 0.00 0.00 1.12 -1.77 -2.99 114.38 111.09 2jpi h ARG 15 Ca 0.43 -0.61 -0.03 0.00 -1.11 0.00 0.00 59.98 58.67 2jpi h ARG 15 Cb 2.57 0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 32.75 2jpi h ARG 15 CO -0.00 1.27 -0.14 1.88 -3.11 0.00 0.00 179.97 179.86 2jpi h TYR 16 N 0.10 0.00 0.12 2.20 0.05 -0.46 0.59 116.97 119.57 2jpi h TYR 16 Ca -0.21 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.38 2jpi h TYR 16 Cb 2.05 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.80 2jpi h TYR 16 CO 0.09 0.14 -0.86 0.28 -1.05 0.00 0.00 178.16 176.76 2jpi h VAL 17 N 0.00 1.43 0.00 -2.88 2.07 -1.59 -3.29 116.25 111.99 2jpi h VAL 17 Ca -0.00 -2.48 -0.11 0.00 0.82 0.00 0.00 66.70 64.93 2jpi h VAL 17 Cb 0.53 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 2jpi h VAL 17 CO 0.02 0.69 -0.50 0.78 0.02 0.00 0.00 177.57 178.57 2jpi h ASN 18 N -0.45 0.00 1.21 0.57 2.35 -1.36 -2.96 115.58 114.94 2jpi h ASN 18 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jpi h ASN 18 Cb 1.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.96 2jpi h ASN 18 CO 0.11 0.50 0.00 -0.09 -1.65 0.00 0.00 177.43 176.30 2jpi h ARG 19 N 0.00 0.00 -0.05 0.81 9.65 -1.00 -3.23 114.38 120.56 2jpi h ARG 19 Ca -0.01 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 2jpi h ARG 19 Cb 0.91 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2jpi h ARG 19 CO 0.07 0.00 -0.39 -0.07 2.80 0.00 0.00 179.97 182.37 2jpi h LEU 20 N 0.00 0.43 -1.63 3.80 3.38 -1.58 -1.60 115.31 118.10 2jpi h LEU 20 Ca 0.00 -0.69 0.13 0.00 0.09 0.00 0.00 57.88 57.41 2jpi h LEU 20 Cb 0.61 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2jpi h LEU 20 CO 0.00 1.05 0.46 0.00 0.09 0.00 0.00 178.44 180.04 2jpi h LYS 22 N 0.38 0.00 0.00 0.00 1.57 -1.65 -1.64 116.57 115.23 2jpi h LYS 22 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2jpi h LYS 22 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2jpi h LYS 22 CO -0.09 0.08 -0.26 1.25 -0.57 0.00 0.00 179.45 179.85 2jpi h HIS 23 N 0.00 0.00 -0.00 -1.35 2.76 0.76 -3.40 115.15 113.92 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 1.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.04 2jpi h HIS 23 CO 0.00 0.03 -0.53 1.87 -1.30 0.00 0.00 177.93 178.00 2jpi n TRP 24 N -4.70 0.00 -0.71 5.26 -0.00 0.17 -4.57 117.44 112.90 2jpi n TRP 24 Ca -0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.26 2jpi n TRP 24 Cb 0.14 -0.20 -0.03 0.00 -0.00 0.00 0.00 31.31 31.22 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 1.48 2.99 0.03 5.87 0.00 -0.62 -3.78 105.19 111.16 2jpi n GLY 25 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 2jpi n GLY 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jpi n HIS 26 N 4.05 0.00 -2.16 1.61 1.44 -1.26 -4.76 115.22 114.14 2jpi n HIS 26 Ca 0.42 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 56.10 2jpi n HIS 26 Cb 0.17 -0.32 -0.03 0.00 0.12 0.00 0.00 29.99 29.93 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2jpi n LYS 27 N -2.11 0.00 -3.95 -1.40 0.00 -1.25 -5.11 118.16 104.34 2jpi n LYS 27 Ca -0.09 -1.20 -0.10 0.00 0.00 0.00 0.00 58.31 56.92 2jpi n LYS 27 Cb 0.56 0.21 -0.12 0.00 0.00 0.00 0.00 35.03 35.68 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 0.19 -0.99 5.64 0.40 -1.26 -5.08 117.98 116.88 2jpi s PHE 28 Ca 0.11 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.82 2jpi s PHE 28 Cb 0.12 -0.14 -0.00 0.00 0.51 0.00 0.00 43.02 43.51 2jpi s PHE 28 CO -0.05 -0.14 1.74 -1.83 0.70 0.00 0.00 175.22 175.63 2jpi s GLU 29 N -1.08 3.05 -0.25 0.44 1.03 -1.26 -4.74 118.70 115.89 2jpi s GLU 29 Ca -0.12 -0.78 -0.06 0.00 0.03 0.00 0.00 54.97 54.04 2jpi s GLU 29 Cb -0.07 -5.22 -0.01 0.00 -0.80 0.00 0.00 34.13 28.02 2jpi s GLU 29 CO -0.01 -2.89 0.03 0.14 -1.33 0.00 0.00 175.26 171.20 2jpi s VAL 30 N 7.78 3.88 0.15 1.83 -7.23 -1.24 -3.36 120.40 122.21 2jpi s VAL 30 Ca 0.59 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2jpi s VAL 30 Cb -0.03 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2jpi s VAL 30 CO -0.03 0.31 0.32 -0.70 -0.31 0.00 0.00 175.10 174.69 2jpi s GLU 31 N 1.54 3.49 -0.22 4.82 2.12 -0.03 -4.92 118.70 125.50 2jpi s GLU 31 Ca 0.05 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2jpi s GLU 31 Cb -0.15 -2.92 0.06 0.00 0.26 0.00 0.00 34.13 31.38 2jpi s GLU 31 CO 0.01 0.49 0.01 -1.17 -0.54 0.00 0.00 175.26 174.06 2jpi s LEU 32 N -3.03 1.74 0.15 2.70 0.20 -1.26 -2.27 118.68 116.91 2jpi s LEU 32 Ca 0.37 -1.02 0.10 0.00 0.69 0.00 0.00 54.13 54.27 2jpi s LEU 32 Cb -0.12 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 44.79 2jpi s LEU 32 CO 0.28 -0.29 -0.22 0.42 -0.29 0.00 0.00 176.35 176.24 2jpi s THR 33 N 1.68 2.03 -0.62 3.68 -4.23 -1.03 -5.02 115.64 112.14 2jpi s THR 33 Ca -0.01 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 2jpi s THR 33 Cb -0.18 -1.88 -0.11 0.00 1.34 0.00 0.00 72.50 71.67 2jpi s THR 33 CO -0.09 -0.12 2.38 -0.81 -0.54 0.00 0.00 174.62 175.43 2jpi n PRO 34 N 0.59 1.94 0.00 3.99 -0.04 -1.26 -2.33 135.00 137.89 2jpi n PRO 34 Ca -0.15 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2jpi n PRO 34 Cb 0.55 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.50 0.00 -3.70 0.54 1.02 -1.26 -5.05 120.64 115.69 2jpi n GLU 35 Ca 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 2jpi n GLU 35 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.74 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 -0.88 0.90 0.13 3.49 1.70 -0.98 -1.05 118.95 122.26 2jpi s ARG 36 Ca 0.00 -0.49 0.07 0.00 -0.47 0.00 0.00 55.73 54.84 2jpi s ARG 36 Cb 0.00 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2jpi s ARG 36 CO 0.00 -0.41 -0.08 0.20 -1.08 0.00 0.00 175.30 173.93 2jpi s GLY 37 N -2.93 1.78 -0.21 3.88 0.00 -0.54 -2.46 107.32 106.84 2jpi s GLY 37 Ca 0.13 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 2jpi s GLY 37 CO -0.00 -1.28 -0.05 -0.12 0.00 0.00 0.00 173.10 171.65 2jpi s PHE 38 N -1.37 2.06 -0.29 1.90 5.36 -0.96 -2.00 117.98 122.68 2jpi s PHE 38 Ca 0.23 -1.46 0.01 0.00 -0.96 0.00 0.00 56.93 54.75 2jpi s PHE 38 Cb -0.10 -1.45 0.09 0.00 -0.34 0.00 0.00 43.02 41.21 2jpi s PHE 38 CO 0.15 -0.71 0.04 0.42 -1.46 0.00 0.00 175.22 173.66 2jpi s ILE 39 N 1.51 1.42 -0.08 3.12 1.01 -1.00 -0.85 121.20 126.33 2jpi s ILE 39 Ca -0.03 -1.55 0.03 0.00 0.00 0.00 0.00 60.65 59.10 2jpi s ILE 39 Cb -0.17 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2jpi s ILE 39 CO -0.07 -0.46 -0.16 1.51 0.00 0.00 0.00 174.94 175.76 2jpi s ASP 40 N 1.37 3.82 0.00 3.58 -4.77 -1.21 -0.95 116.67 118.51 2jpi s ASP 40 Ca 0.05 -0.31 0.22 0.00 -3.30 0.00 0.00 52.55 49.21 2jpi s ASP 40 Cb -0.18 -1.10 0.87 0.00 -1.09 0.00 0.00 42.92 41.41 2jpi s ASP 40 CO -0.14 0.26 1.61 0.33 0.70 0.00 0.00 175.17 177.93 2jpi n PHE 41 N 2.85 0.15 0.00 2.11 -0.00 -0.74 -4.17 117.46 117.66 2jpi n PHE 41 Ca -0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.20 2jpi n PHE 41 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jpi n GLY 42 N 1.08 2.17 2.52 7.13 0.00 -1.26 -4.73 105.19 112.11 2jpi n GLY 42 Ca 0.16 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 2.21 6.63 0.00 1.61 9.92 -1.26 -4.82 116.55 130.84 2jpi n ASP 43 Ca 0.00 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 50.96 2jpi n ASP 43 Cb 0.00 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 39.28 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 0.64 0.00 -3.86 -2.24 3.41 -1.26 -4.51 113.62 105.79 2jpi n SER 44 Ca 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 2jpi n SER 44 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.18 -0.27 4.04 0.01 0.29 -1.79 114.94 117.04 2jpi s ASN 45 Ca 0.00 -0.68 -0.00 0.00 -0.71 0.00 0.00 52.86 51.46 2jpi s ASN 45 Cb 0.00 0.60 0.14 0.00 0.41 0.00 0.00 41.25 42.40 2jpi s ASN 45 CO 0.00 -1.12 0.34 0.00 -1.51 0.00 0.00 177.10 174.82 2jpi s GLU 47 N 2.46 3.18 -0.04 0.00 2.12 0.24 -2.38 118.70 124.28 2jpi s GLU 47 Ca 0.10 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 2jpi s GLU 47 Cb -0.14 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.42 2jpi s GLU 47 CO -0.27 0.55 0.06 -0.48 -0.54 0.00 0.00 175.26 174.59 2jpi s LEU 48 N -2.75 0.45 -0.09 2.70 2.34 -0.84 -1.73 118.68 118.75 2jpi s LEU 48 Ca 0.33 0.10 -0.20 0.00 0.06 0.00 0.00 54.13 54.42 2jpi s LEU 48 Cb -0.12 -0.06 -0.04 0.00 -0.56 0.00 0.00 46.19 45.41 2jpi s LEU 48 CO 0.26 -0.21 0.55 -0.22 -1.06 0.00 0.00 176.35 175.67 2jpi s LEU 49 N 1.78 4.31 -0.16 1.48 2.96 0.34 -1.47 118.68 127.92 2jpi s LEU 49 Ca -0.00 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 54.82 2jpi s LEU 49 Cb -0.12 -2.82 0.06 0.00 0.50 0.00 0.00 46.19 43.80 2jpi s LEU 49 CO -0.03 -0.01 0.08 0.00 -1.32 0.00 0.00 176.35 175.07 2jpi s ALA 50 N 0.53 0.47 0.31 5.97 0.00 -0.21 0.10 121.76 128.93 2jpi s ALA 50 Ca 0.30 -0.31 0.09 0.00 0.00 0.00 0.00 51.96 52.03 2jpi s ALA 50 Cb -0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2jpi s ALA 50 CO 0.13 -1.13 0.08 -1.58 0.00 0.00 0.00 175.76 173.26 2jpi s HIS 51 N 2.11 2.69 0.66 0.00 2.46 0.19 -2.79 115.29 120.61 2jpi s HIS 51 Ca 0.02 -0.33 0.17 0.00 0.47 0.00 0.00 55.06 55.39 2jpi s HIS 51 Cb -0.16 -1.47 0.92 0.00 -0.13 0.00 0.00 32.58 31.74 2jpi s HIS 51 CO -0.09 0.45 1.52 -1.35 -2.47 0.00 0.00 174.74 172.80 2jpi h PRO 52 N 1.69 0.00 0.00 2.88 0.11 -1.91 -2.61 132.00 132.16 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 0.63 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.95 2jpi n ASP 53 N -2.73 0.00 -3.84 -2.05 2.03 -1.21 -0.29 116.55 108.46 2jpi n ASP 53 Ca -0.01 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.20 2jpi n ASP 53 Cb 0.66 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.07 -0.02 -0.67 -3.43 -0.85 -2.73 115.29 107.66 2jpi s HIS 54 Ca 0.00 -0.37 -0.01 0.00 -0.80 0.00 0.00 55.06 53.88 2jpi s HIS 54 Cb 0.00 -0.02 0.01 0.00 -1.43 0.00 0.00 32.58 31.14 2jpi s HIS 54 CO 0.00 -0.49 0.04 0.54 -2.00 0.00 0.00 174.74 172.83 2jpi s VAL 55 N -3.10 -0.01 0.06 -5.38 0.11 -0.99 0.55 120.40 111.64 2jpi s VAL 55 Ca -0.01 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 2jpi s VAL 55 Cb 0.01 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 2jpi s VAL 55 CO -0.07 0.02 -0.24 -0.76 -3.33 0.00 0.00 175.10 170.72 2jpi s LEU 56 N 0.26 2.34 -0.19 2.54 1.43 0.28 -2.49 118.68 122.85 2jpi s LEU 56 Ca -0.02 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2jpi s LEU 56 Cb -0.03 -1.36 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2jpi s LEU 56 CO -0.01 0.25 -0.06 -0.04 0.23 0.00 0.00 176.35 176.72 2jpi s MET 57 N -1.42 1.55 -0.03 1.70 -1.94 -0.35 0.13 119.30 118.94 2jpi s MET 57 Ca 0.13 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.50 2jpi s MET 57 Cb -0.10 -2.21 -0.01 0.00 2.01 0.00 0.00 34.83 34.52 2jpi s MET 57 CO 0.04 -0.47 -0.19 0.42 -0.01 0.00 0.00 175.02 174.81 2jpi s ILE 58 N 1.55 1.51 0.05 2.53 1.01 -0.71 -1.21 121.20 125.94 2jpi s ILE 58 Ca -0.01 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.94 2jpi s ILE 58 Cb -0.16 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2jpi s ILE 58 CO -0.08 0.43 -0.26 -1.48 0.00 0.00 0.00 174.94 173.56 2jpi s LEU 59 N -0.21 2.18 -0.31 2.97 -0.00 -1.23 -0.59 118.68 121.48 2jpi s LEU 59 Ca 0.02 -0.59 0.03 0.00 -0.00 0.00 0.00 54.13 53.58 2jpi s LEU 59 Cb -0.10 -1.23 0.09 0.00 -0.00 0.00 0.00 46.19 44.95 2jpi s LEU 59 CO 0.01 0.24 0.01 0.20 -0.00 0.00 0.00 176.35 176.81 2jpi s ASN 60 N -1.29 4.54 -0.12 1.48 0.01 -0.94 -4.16 114.94 114.47 2jpi s ASN 60 Ca 0.11 -1.86 -0.09 0.00 -0.71 0.00 0.00 52.86 50.31 2jpi s ASN 60 Cb -0.10 -1.49 0.04 0.00 0.41 0.00 0.00 41.25 40.11 2jpi s ASN 60 CO 0.02 -0.33 0.31 -0.44 -1.51 0.00 0.00 177.10 175.15 2jpi s SER 61 N 1.06 -0.34 0.00 -1.22 0.01 -1.24 0.11 113.70 112.08 2jpi s SER 61 Ca 0.05 0.65 0.11 0.00 1.31 0.00 0.00 55.95 58.07 2jpi s SER 61 Cb -0.19 0.61 0.50 0.00 0.21 0.00 0.00 66.02 67.14 2jpi s SER 61 CO -0.09 -0.13 1.36 -0.81 0.41 0.00 0.00 173.24 173.98 2jpi n PRO 62 N 3.43 0.01 -4.02 12.44 -0.04 -1.26 -1.87 135.00 143.69 2jpi n PRO 62 Ca -0.17 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 2jpi n PRO 62 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2jpi n PRO 62 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jpi s ASP 63 N -2.97 0.48 0.20 3.54 -4.77 -1.26 -4.09 116.67 107.79 2jpi s ASP 63 Ca 0.06 -0.34 -0.11 0.00 -3.30 0.00 0.00 52.55 48.86 2jpi s ASP 63 Cb 0.08 0.02 0.15 0.00 -1.09 0.00 0.00 42.92 42.08 2jpi s ASP 63 CO 0.21 -0.13 1.86 -0.33 0.70 0.00 0.00 175.17 177.47 2jpi h GLU 64 N 5.17 0.85 -0.45 2.11 3.07 -1.97 1.04 114.58 124.40 2jpi h GLU 64 Ca -0.31 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.59 2jpi h GLU 64 Cb 1.20 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.83 2jpi h GLU 64 CO 0.45 0.56 -0.33 0.22 -1.40 0.00 0.00 179.01 178.51 2jpi h ASP 65 N 0.87 -1.11 0.64 1.42 1.82 -1.97 1.43 116.42 119.52 2jpi h ASP 65 Ca 0.26 0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 57.07 2jpi h ASP 65 Cb -0.05 0.53 0.01 0.00 0.68 0.00 0.00 39.33 40.49 2jpi h ASP 65 CO -0.08 -0.32 -0.31 0.28 -1.61 0.00 0.00 179.24 177.21 2jpi h SER 66 N -0.23 -0.73 -0.97 2.28 0.02 -1.82 0.38 113.55 112.48 2jpi h SER 66 Ca 0.19 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 2jpi h SER 66 Cb 0.54 0.19 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.58 -0.46 -0.57 0.25 -1.14 0.00 0.00 176.83 174.33 2jpi h LEU 67 N -0.95 -2.11 -0.86 5.07 6.46 0.25 0.31 115.31 123.47 2jpi h LEU 67 Ca -0.09 0.32 -0.09 0.00 -0.12 0.00 0.00 57.88 57.90 2jpi h LEU 67 Cb 0.69 0.93 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 2jpi h LEU 67 CO 0.14 -0.22 -0.10 0.00 -0.62 0.00 0.00 178.44 177.64 2jpi h ALA 68 N 0.46 1.04 -0.82 1.25 0.00 0.19 -0.90 119.26 120.48 2jpi h ALA 68 Ca 0.16 -0.30 0.13 0.00 0.00 0.00 0.00 54.91 54.89 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 -0.91 0.58 0.54 1.25 0.00 0.00 0.00 179.25 180.71 2jpi h HIS 69 N 0.67 0.72 0.00 0.00 -0.00 0.17 0.17 115.15 116.88 2jpi h HIS 69 Ca 0.12 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2jpi h HIS 69 Cb 0.56 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.74 2jpi h HIS 69 CO 0.03 0.29 -0.07 0.52 -0.00 0.00 0.00 177.93 178.70 2jpi h MET 70 N 0.63 0.00 -0.41 5.26 2.86 -0.19 -2.56 114.93 120.53 2jpi h MET 70 Ca 0.40 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 58.16 2jpi h MET 70 Cb 0.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2jpi h MET 70 CO -0.16 0.22 0.36 -0.56 1.06 0.00 0.00 176.91 177.83 2jpi h GLN 71 N -1.00 0.00 0.15 1.72 3.07 -1.02 -1.59 115.11 116.44 2jpi h GLN 71 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 2jpi h GLN 71 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.84 2jpi h GLN 71 CO -0.00 0.00 -1.10 -0.97 0.09 0.00 0.00 178.83 176.84 2jpi h ASN 72 N 0.00 0.49 -0.92 0.06 -1.24 -0.79 -3.18 115.58 110.00 2jpi h ASN 72 Ca 0.19 -0.92 0.26 0.00 0.71 0.00 0.00 56.30 56.55 2jpi h ASN 72 Cb 0.92 -0.16 -0.15 0.00 0.73 0.00 0.00 38.32 39.66 2jpi h ASN 72 CO -0.00 1.51 0.29 0.58 -1.29 0.00 0.00 177.43 178.52 2jpi h VAL 73 N -0.28 0.26 -0.09 2.57 2.07 -0.85 0.13 116.25 120.06 2jpi h VAL 73 Ca -0.21 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2jpi h VAL 73 Cb 1.75 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jpi h VAL 73 CO 0.14 0.04 -0.17 0.58 0.02 0.00 0.00 177.57 178.17 2jpi h VAL 74 N 0.19 1.39 -1.00 2.57 2.07 -1.65 -2.96 116.25 116.87 2jpi h VAL 74 Ca 0.61 -1.45 0.29 0.00 0.82 0.00 0.00 66.70 66.97 2jpi h VAL 74 Cb 1.29 2.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 2jpi h VAL 74 CO -0.68 0.41 0.83 0.00 0.02 0.00 0.00 177.57 178.15 2jpi h ALA 75 N 0.52 2.88 0.04 1.67 0.00 -0.76 0.62 119.26 124.24 2jpi h ALA 75 Ca 0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2jpi h ALA 75 Cb 0.75 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.63 2jpi h ALA 75 CO 0.04 -1.35 -0.85 0.22 0.00 0.00 0.00 179.25 177.31 2jpi h ASP 76 N 0.00 0.68 -0.82 0.00 3.58 -1.15 -3.12 116.42 115.59 2jpi h ASP 76 Ca 0.48 -0.79 0.04 0.00 0.42 0.00 0.00 57.03 57.17 2jpi h ASP 76 Cb 2.14 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 42.93 2jpi h ASP 76 CO -0.01 1.39 0.52 0.45 -2.88 0.00 0.00 179.24 178.71 2jpi h HIS 77 N 0.05 0.97 0.00 0.28 3.86 0.36 -0.16 115.15 120.52 2jpi h HIS 77 Ca -0.12 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2jpi h HIS 77 Cb 1.56 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.70 2jpi h HIS 77 CO 0.14 0.55 -0.15 -0.07 0.86 0.00 0.00 177.93 179.26 2jpi h LEU 78 N 1.01 0.00 -0.06 2.43 3.38 -1.46 -2.90 115.31 117.72 2jpi h LEU 78 Ca 0.33 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 2jpi h LEU 78 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jpi h LEU 78 CO -0.12 0.15 -0.66 -0.61 0.09 0.00 0.00 178.44 177.29 2jpi h GLN 79 N 0.00 0.54 0.00 1.13 4.15 -0.98 -2.64 115.11 117.31 2jpi h GLN 79 Ca -0.00 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 58.84 2jpi h GLN 79 Cb 0.44 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2jpi h GLN 79 CO 0.02 1.14 -0.30 0.07 -1.93 0.00 0.00 178.83 177.83 2jpi h ARG 80 N 0.13 0.00 0.00 1.69 0.11 -1.22 -2.24 114.38 112.86 2jpi h ARG 80 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2jpi h ARG 80 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 2jpi h ARG 80 CO 0.13 0.30 -0.26 0.00 0.10 0.00 0.00 179.97 180.25 2jpi h MET 81 N 0.00 0.00 -2.69 0.08 -0.00 -1.54 -3.43 114.93 107.36 2jpi h MET 81 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 59.70 59.33 2jpi h MET 81 Cb 0.59 0.00 -0.38 0.00 -0.00 0.00 0.00 31.60 31.82 2jpi h MET 81 CO 0.04 0.00 -0.67 0.00 -0.00 0.00 0.00 176.91 176.28 2jpi s ALA 82 N -3.14 -0.02 0.43 -3.00 0.00 -0.84 -5.10 121.76 110.08 2jpi s ALA 82 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2jpi s ALA 82 Cb 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2jpi s ALA 82 CO 0.65 -1.23 0.00 0.09 0.00 0.00 0.00 175.76 175.27 2jpi n ASN 83 N 5.30 0.00 0.00 0.00 3.02 -1.25 -4.54 115.26 117.79 2jpi n ASN 83 Ca -0.06 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2jpi n ASN 83 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2jpi n ASN 83 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2jpi n SER 84 N -2.17 0.00 -3.60 6.41 7.64 -1.26 -4.94 113.62 115.71 2jpi n SER 84 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2jpi n SER 84 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jpi s GLU 85 N -0.23 0.50 -1.02 1.43 -1.05 -1.26 -5.05 118.70 112.00 2jpi s GLU 85 Ca 0.00 0.22 -0.20 0.00 -0.15 0.00 0.00 54.97 54.84 2jpi s GLU 85 Cb 0.00 0.24 -0.09 0.00 -0.44 0.00 0.00 34.13 33.84 2jpi s GLU 85 CO 0.00 -0.14 2.01 0.43 0.95 0.00 0.00 175.26 178.51 2jpi n SER 86 N 1.03 3.06 -0.87 0.83 7.64 -1.26 -4.74 113.62 119.31 2jpi n SER 86 Ca -0.10 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2jpi n SER 86 Cb 0.58 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpi n LEU 87 N 7.64 -0.62 -4.55 -3.43 7.99 -1.26 -4.64 117.00 118.13 2jpi n LEU 87 Ca 0.50 0.36 -0.37 0.00 -0.01 0.00 0.00 56.01 56.49 2jpi n LEU 87 Cb 0.41 -0.55 -0.03 0.00 -0.11 0.00 0.00 43.42 43.13 2jpi n LEU 87 CO 0.96 -0.72 1.50 -0.70 -1.51 0.00 0.00 177.39 176.92 2jpi s GLU 88 N 0.00 2.72 -0.06 3.23 2.12 -1.26 -4.93 118.70 120.52 2jpi s GLU 88 Ca 0.00 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.65 2jpi s GLU 88 Cb 0.00 -4.49 0.02 0.00 0.26 0.00 0.00 34.13 29.92 2jpi s GLU 88 CO 0.00 -2.73 -0.10 0.96 -0.54 0.00 0.00 175.26 172.85 2jpi s ILE 89 N 8.63 0.95 -0.42 -3.70 -0.00 -1.26 -4.80 121.20 120.61 2jpi s ILE 89 Ca 0.62 -0.36 -0.18 0.00 -0.00 0.00 0.00 60.65 60.73 2jpi s ILE 89 Cb -0.11 -0.90 0.02 0.00 -0.00 0.00 0.00 42.46 41.47 2jpi s ILE 89 CO 0.16 0.32 0.49 0.00 -0.00 0.00 0.00 174.94 175.91 2jpi s ALA 90 N 0.84 3.41 -0.10 2.27 0.00 -1.26 -5.01 121.76 121.92 2jpi s ALA 90 Ca -0.12 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 2jpi s ALA 90 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2jpi s ALA 90 CO 0.02 -1.60 0.39 1.67 0.00 0.00 0.00 175.76 176.24 2jpi s TRP 91 N 2.33 3.56 0.32 0.00 1.48 -1.26 -3.89 118.94 121.48 2jpi s TRP 91 Ca 0.15 0.82 -0.09 0.00 -1.06 0.00 0.00 56.10 55.93 2jpi s TRP 91 Cb -0.16 -2.40 -0.06 0.00 -1.16 0.00 0.00 33.47 29.69 2jpi s TRP 91 CO 0.15 0.34 0.64 -0.65 -4.06 0.00 0.00 176.95 173.37 2jpi s GLN 92 N 0.04 3.76 0.35 3.25 -0.21 -1.25 -4.98 119.66 120.63 2jpi s GLN 92 Ca 0.22 0.29 0.13 0.00 0.02 0.00 0.00 55.36 56.02 2jpi s GLN 92 Cb -0.15 -2.54 0.98 0.00 1.00 0.00 0.00 33.01 32.30 2jpi s GLN 92 CO 0.09 0.15 1.74 -1.35 -2.12 0.00 0.00 175.29 173.80 2jpi h PRO 93 N 1.80 0.48 -0.20 2.91 0.11 -1.95 -3.41 132.00 131.74 2jpi h PRO 93 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jpi h PRO 93 CO 0.66 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 2jpi n ALA 94 N -2.38 0.00 -2.95 -0.75 0.00 -1.26 -4.82 120.51 108.36 2jpi n ALA 94 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 2jpi n ALA 94 Cb 0.81 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 20.02 2jpi n ALA 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jpi s GLU 95 N -0.73 1.00 0.00 0.00 2.12 -1.21 -2.02 118.70 117.86 2jpi s GLU 95 Ca 0.00 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.99 2jpi s GLU 95 Cb 0.00 -0.93 0.00 0.00 0.26 0.00 0.00 34.13 33.46 2jpi s GLU 95 CO 0.00 0.14 0.00 0.45 -0.54 0.00 0.00 175.26 175.31