#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 -0.14 3.17 0.08 -0.89 -4.90 117.98 118.02 2jpi s PHE 2 Ca 0.00 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 2jpi s PHE 2 Cb 0.00 -2.62 0.06 0.00 -0.57 0.00 0.00 43.02 39.89 2jpi s PHE 2 CO 0.00 -0.77 0.32 0.50 -0.10 0.00 0.00 175.22 175.16 2jpi s ARG 3 N -4.64 0.25 0.31 0.44 6.06 -1.15 -3.67 118.95 116.56 2jpi s ARG 3 Ca 0.57 0.74 0.10 0.00 -2.50 0.00 0.00 55.73 54.64 2jpi s ARG 3 Cb -0.10 0.00 -0.05 0.00 0.06 0.00 0.00 34.95 34.86 2jpi s ARG 3 CO 0.37 -0.21 -0.04 0.45 -2.50 0.00 0.00 175.30 173.37 2jpi s SER 4 N 1.87 4.11 -0.10 -2.12 0.15 -1.26 -2.75 113.70 113.60 2jpi s SER 4 Ca -0.05 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 2jpi s SER 4 Cb -0.11 -0.54 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 2jpi s SER 4 CO -0.10 -0.14 0.22 0.42 1.20 0.00 0.00 173.24 174.85 2jpi s THR 5 N -2.49 -0.04 -0.15 6.45 -4.23 -1.26 -3.54 115.64 110.39 2jpi s THR 5 Ca 0.33 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2jpi s THR 5 Cb -0.02 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 2jpi s THR 5 CO 0.18 0.06 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.70 2jpi s SER 6 N 1.24 4.46 -0.12 3.99 0.15 -0.44 -3.64 113.70 119.33 2jpi s SER 6 Ca -0.09 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2jpi s SER 6 Cb -0.11 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2jpi s SER 6 CO -0.08 0.16 -0.14 -2.28 1.20 0.00 0.00 173.24 172.10 2jpi s HIS 7 N 0.43 2.79 0.03 3.44 2.46 -1.26 -1.39 115.29 121.79 2jpi s HIS 7 Ca -0.06 -0.63 -0.01 0.00 0.47 0.00 0.00 55.06 54.83 2jpi s HIS 7 Cb -0.15 -1.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 2jpi s HIS 7 CO 0.04 -0.19 -0.03 0.08 -2.47 0.00 0.00 174.74 172.17 2jpi s VAL 8 N 0.26 0.15 -0.47 0.89 1.01 -1.06 -4.31 120.40 116.87 2jpi s VAL 8 Ca -0.10 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2jpi s VAL 8 Cb -0.16 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.57 2jpi s VAL 8 CO 0.06 -0.68 0.40 -0.13 0.00 0.00 0.00 175.10 174.75 2jpi s ARG 9 N -2.34 2.99 0.13 2.72 3.00 -1.26 -2.38 118.95 121.81 2jpi s ARG 9 Ca -0.08 -1.25 0.05 0.00 0.00 0.00 0.00 55.73 54.46 2jpi s ARG 9 Cb -0.03 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 2jpi s ARG 9 CO -0.04 -1.00 -0.12 -0.08 0.00 0.00 0.00 175.30 174.05 2jpi s THR 10 N 1.75 1.28 0.05 0.02 -1.32 -1.08 -4.98 115.64 111.36 2jpi s THR 10 Ca 0.05 -1.85 0.02 0.00 -1.21 0.00 0.00 61.69 58.70 2jpi s THR 10 Cb -0.23 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 2jpi s THR 10 CO 0.08 -0.54 0.07 -0.70 -2.21 0.00 0.00 174.62 171.31 2jpi s GLU 11 N -3.08 2.90 -1.69 7.08 -6.30 -1.26 -2.04 118.70 114.31 2jpi s GLU 11 Ca 0.12 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 51.95 2jpi s GLU 11 Cb -0.02 -2.74 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 0.00 175.26 176.35 2jpi n SER 12 N 0.77 -5.12 -0.03 -1.70 2.88 0.42 -4.88 113.62 105.96 2jpi n SER 12 Ca -0.11 0.19 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 2jpi n SER 12 Cb 0.52 -4.38 -0.03 0.00 -0.75 0.00 0.00 64.21 59.57 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 0.75 -0.27 -1.06 -1.46 0.00 -1.70 -2.53 119.26 113.00 2jpi h ALA 13 Ca -0.41 0.05 0.31 0.00 0.00 0.00 0.00 54.91 54.85 2jpi h ALA 13 Cb 1.27 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 2jpi h ALA 13 CO 0.52 -0.75 1.14 0.00 0.00 0.00 0.00 179.25 180.17 2jpi h ALA 14 N 0.58 2.97 0.24 0.00 0.00 -1.50 0.41 119.26 121.96 2jpi h ALA 14 Ca 0.12 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 2jpi h ALA 14 Cb 0.51 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jpi h ALA 14 CO -0.38 -1.69 -1.51 -0.09 0.00 0.00 0.00 179.25 175.58 2jpi h ARG 15 N 0.00 0.51 0.00 0.00 1.12 -1.74 -2.74 114.38 111.53 2jpi h ARG 15 Ca 0.50 -0.87 -0.04 0.00 -1.11 0.00 0.00 59.98 58.47 2jpi h ARG 15 Cb 2.78 0.32 -0.01 0.00 -0.01 0.00 0.00 29.97 33.06 2jpi h ARG 15 CO -0.01 1.42 -0.18 1.88 -3.11 0.00 0.00 179.97 179.97 2jpi h TYR 16 N 0.12 0.00 -0.03 2.20 0.05 -0.29 0.37 116.97 119.39 2jpi h TYR 16 Ca -0.27 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.42 2jpi h TYR 16 Cb 2.14 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.88 2jpi h TYR 16 CO 0.13 0.18 -0.32 0.28 -1.05 0.00 0.00 178.16 177.38 2jpi h VAL 17 N 0.00 1.47 0.00 -2.88 2.07 -1.49 -2.80 116.25 112.61 2jpi h VAL 17 Ca -0.00 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.61 2jpi h VAL 17 Cb 0.38 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2jpi h VAL 17 CO 0.02 0.52 -0.36 0.78 0.02 0.00 0.00 177.57 178.55 2jpi h ASN 18 N -0.29 0.00 1.64 0.57 2.35 -1.12 -2.73 115.58 116.00 2jpi h ASN 18 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2jpi h ASN 18 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2jpi h ASN 18 CO 0.06 0.36 0.00 -0.09 -1.65 0.00 0.00 177.43 176.12 2jpi h ARG 19 N 0.00 0.00 -0.09 0.81 9.65 -0.27 -3.31 114.38 121.16 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 0.70 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.28 2jpi h ARG 19 CO 0.05 0.00 -0.13 -0.07 2.80 0.00 0.00 179.97 182.62 2jpi h LEU 20 N 0.00 0.27 -1.21 3.80 3.38 -1.20 -0.04 115.31 120.30 2jpi h LEU 20 Ca 0.00 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.55 2jpi h LEU 20 Cb 0.82 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2jpi h LEU 20 CO 0.00 0.74 0.57 0.00 0.09 0.00 0.00 178.44 179.83 2jpi h LYS 22 N 0.88 0.00 0.00 0.00 1.57 -1.66 -0.62 116.57 116.74 2jpi h LYS 22 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2jpi h LYS 22 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jpi h LYS 22 CO -0.17 0.07 -0.22 1.25 -0.57 0.00 0.00 179.45 179.81 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.13 -3.40 115.15 113.29 2jpi h HIS 23 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jpi h HIS 23 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2jpi h HIS 23 CO 0.00 0.00 -0.64 0.91 -1.30 0.00 0.00 177.93 176.90 2jpi n TRP 24 N -4.36 0.04 -0.74 5.26 7.02 0.21 -4.59 117.44 120.27 2jpi n TRP 24 Ca -0.03 0.01 -0.22 0.00 -1.02 0.00 0.00 57.50 56.24 2jpi n TRP 24 Cb 0.12 -0.23 -0.02 0.00 -2.42 0.00 0.00 31.31 28.75 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jpi n GLY 25 N 1.48 3.06 0.04 6.99 0.00 -0.24 -3.88 105.19 112.65 2jpi n GLY 25 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.19 2jpi n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jpi n HIS 26 N 4.36 0.00 -2.26 1.61 8.25 -1.26 -4.74 115.22 121.17 2jpi n HIS 26 Ca 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2jpi n HIS 26 Cb 0.14 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 30.79 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2jpi n LYS 27 N -2.28 0.00 -3.98 -0.41 0.00 -1.25 -5.10 118.16 105.14 2jpi n LYS 27 Ca -0.14 -1.49 -0.09 0.00 0.00 0.00 0.00 58.31 56.60 2jpi n LYS 27 Cb 0.73 0.15 -0.11 0.00 0.00 0.00 0.00 35.03 35.80 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 0.25 -1.02 5.64 0.40 -1.26 -5.08 117.98 116.91 2jpi s PHE 28 Ca 0.18 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.77 2jpi s PHE 28 Cb 0.21 -0.18 0.03 0.00 0.51 0.00 0.00 43.02 43.58 2jpi s PHE 28 CO -0.09 -0.19 1.60 -1.83 0.70 0.00 0.00 175.22 175.41 2jpi s GLU 29 N -1.44 3.36 -0.19 0.44 1.03 -1.26 -4.76 118.70 115.87 2jpi s GLU 29 Ca -0.16 -1.01 -0.04 0.00 0.03 0.00 0.00 54.97 53.79 2jpi s GLU 29 Cb -0.10 -5.30 -0.02 0.00 -0.80 0.00 0.00 34.13 27.91 2jpi s GLU 29 CO -0.01 -2.53 -0.02 0.14 -1.33 0.00 0.00 175.26 171.51 2jpi s VAL 30 N 6.25 3.78 0.19 1.83 -7.23 -1.25 -3.34 120.40 120.64 2jpi s VAL 30 Ca 0.53 -0.37 0.04 0.00 -1.81 0.00 0.00 61.98 60.36 2jpi s VAL 30 Cb -0.01 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2jpi s VAL 30 CO -0.06 0.44 0.31 -0.70 -0.31 0.00 0.00 175.10 174.79 2jpi s GLU 31 N 0.94 3.43 -0.21 4.82 2.12 -0.28 -4.93 118.70 124.59 2jpi s GLU 31 Ca 0.01 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 2jpi s GLU 31 Cb -0.14 -2.93 0.07 0.00 0.26 0.00 0.00 34.13 31.39 2jpi s GLU 31 CO 0.01 0.48 0.05 -1.17 -0.54 0.00 0.00 175.26 174.10 2jpi s LEU 32 N -3.56 1.15 0.26 2.70 0.20 -1.26 -2.80 118.68 115.37 2jpi s LEU 32 Ca 0.34 -0.89 0.06 0.00 0.69 0.00 0.00 54.13 54.33 2jpi s LEU 32 Cb -0.10 -0.57 -0.06 0.00 -0.43 0.00 0.00 46.19 45.04 2jpi s LEU 32 CO 0.29 -0.33 -0.06 0.42 -0.29 0.00 0.00 176.35 176.38 2jpi s THR 33 N 1.88 1.54 0.00 3.68 -4.23 -1.19 -5.02 115.64 112.30 2jpi s THR 33 Ca 0.01 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.35 2jpi s THR 33 Cb -0.17 -2.38 -0.24 0.00 1.34 0.00 0.00 72.50 71.04 2jpi s THR 33 CO -0.11 -0.34 3.32 -0.81 -0.54 0.00 0.00 174.62 176.14 2jpi n PRO 34 N -0.53 1.80 0.00 3.99 -0.04 -1.26 -3.14 135.00 135.82 2jpi n PRO 34 Ca -0.06 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2jpi n PRO 34 Cb 0.63 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 2.54 0.00 -3.69 0.54 -0.58 -1.26 -5.05 120.64 113.14 2jpi n GLU 35 Ca 0.39 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.11 2jpi n GLU 35 Cb 0.83 -0.08 -0.01 0.00 -0.57 0.00 0.00 31.44 31.61 2jpi n GLU 35 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2jpi s ARG 36 N -1.00 0.85 -0.21 3.49 1.70 -1.19 -2.22 118.95 120.37 2jpi s ARG 36 Ca 0.00 -0.46 -0.05 0.00 -0.47 0.00 0.00 55.73 54.74 2jpi s ARG 36 Cb 0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2jpi s ARG 36 CO 0.00 -0.39 0.01 0.20 -1.08 0.00 0.00 175.30 174.05 2jpi s GLY 37 N -2.92 1.72 -0.32 3.88 0.00 -0.47 -3.16 107.32 106.04 2jpi s GLY 37 Ca 0.13 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 2jpi s GLY 37 CO -0.01 0.33 0.23 -0.12 0.00 0.00 0.00 173.10 173.53 2jpi s PHE 38 N 1.20 3.23 -0.28 1.90 5.36 -1.12 -1.76 117.98 126.50 2jpi s PHE 38 Ca 0.03 -0.11 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2jpi s PHE 38 Cb -0.14 -2.45 0.09 0.00 -0.34 0.00 0.00 43.02 40.17 2jpi s PHE 38 CO 0.02 -0.30 0.05 0.42 -1.46 0.00 0.00 175.22 173.95 2jpi s ILE 39 N 1.74 1.17 -0.07 3.12 1.01 -0.92 -1.12 121.20 126.12 2jpi s ILE 39 Ca 0.06 -1.40 0.03 0.00 0.00 0.00 0.00 60.65 59.35 2jpi s ILE 39 Cb -0.17 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2jpi s ILE 39 CO 0.11 -0.49 -0.14 1.51 0.00 0.00 0.00 174.94 175.93 2jpi s ASP 40 N 1.50 4.05 0.00 3.58 -4.77 -1.21 -0.90 116.67 118.91 2jpi s ASP 40 Ca 0.05 -0.22 0.24 0.00 -3.30 0.00 0.00 52.55 49.32 2jpi s ASP 40 Cb -0.18 -1.03 0.85 0.00 -1.09 0.00 0.00 42.92 41.47 2jpi s ASP 40 CO -0.17 0.31 1.61 0.33 0.70 0.00 0.00 175.17 177.95 2jpi n PHE 41 N 2.58 0.14 0.00 2.11 -0.00 -0.72 -4.10 117.46 117.47 2jpi n PHE 41 Ca -0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.21 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 1.16 2.11 2.52 7.13 0.00 -1.26 -4.74 105.19 112.12 2jpi n GLY 42 Ca 0.17 -0.67 -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 2.09 0.00 0.00 0.00 173.32 175.41 2jpi n ASP 43 N 1.99 6.61 0.00 1.61 5.75 -1.26 -4.82 116.55 126.44 2jpi n ASP 43 Ca 0.00 -3.29 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 2jpi n ASP 43 Cb 0.00 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 38.89 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jpi n SER 44 N 0.67 0.00 -3.98 -1.12 3.41 -1.26 -4.53 113.62 106.81 2jpi n SER 44 Ca 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 59.00 2jpi n SER 44 Cb 0.51 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.01 -0.28 4.04 -0.87 0.26 -1.75 114.94 116.32 2jpi s ASN 45 Ca 0.00 -1.02 0.02 0.00 -1.57 0.00 0.00 52.86 50.29 2jpi s ASN 45 Cb 0.00 0.57 0.17 0.00 -0.02 0.00 0.00 41.25 41.96 2jpi s ASN 45 CO 0.00 -1.12 0.45 0.00 -2.57 0.00 0.00 177.10 173.87 2jpi s GLU 47 N 2.62 3.52 -0.16 0.00 2.12 0.17 -2.17 118.70 124.81 2jpi s GLU 47 Ca 0.11 -0.33 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 2jpi s GLU 47 Cb -0.13 -2.84 0.06 0.00 0.26 0.00 0.00 34.13 31.48 2jpi s GLU 47 CO -0.26 0.40 0.08 -1.17 -0.54 0.00 0.00 175.26 173.77 2jpi s LEU 48 N -3.31 0.42 -0.02 2.70 2.96 -0.72 -2.37 118.68 118.34 2jpi s LEU 48 Ca 0.39 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.47 2jpi s LEU 48 Cb -0.11 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 2jpi s LEU 48 CO 0.29 -0.34 0.72 -0.22 -1.32 0.00 0.00 176.35 175.48 2jpi s LEU 49 N 2.11 4.37 -0.15 -0.68 2.96 0.36 -1.37 118.68 126.28 2jpi s LEU 49 Ca 0.02 1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 2jpi s LEU 49 Cb -0.16 -3.13 0.07 0.00 0.50 0.00 0.00 46.19 43.48 2jpi s LEU 49 CO -0.08 -0.05 0.18 0.00 -1.32 0.00 0.00 176.35 175.07 2jpi s ALA 50 N 0.42 -0.14 0.34 5.97 0.00 -0.94 0.13 121.76 127.53 2jpi s ALA 50 Ca 0.38 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.73 2jpi s ALA 50 Cb -0.19 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2jpi s ALA 50 CO 0.20 -0.95 0.14 -1.58 0.00 0.00 0.00 175.76 173.56 2jpi s HIS 51 N 2.29 2.71 0.61 0.00 2.46 0.29 -2.31 115.29 121.35 2jpi s HIS 51 Ca 0.05 -0.37 0.15 0.00 0.47 0.00 0.00 55.06 55.35 2jpi s HIS 51 Cb -0.14 -1.62 0.80 0.00 -0.13 0.00 0.00 32.58 31.49 2jpi s HIS 51 CO -0.09 0.35 1.43 -1.35 -2.47 0.00 0.00 174.74 172.61 2jpi h PRO 52 N 1.56 0.00 0.00 2.88 0.11 -1.91 -2.53 132.00 132.11 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 -0.25 -0.21 0.00 0.00 178.00 178.17 2jpi n ASP 53 N -2.62 0.00 -3.87 -2.05 8.00 -1.21 -0.43 116.55 114.37 2jpi n ASP 53 Ca -0.01 -1.00 -0.09 0.00 0.71 0.00 0.00 54.79 54.40 2jpi n ASP 53 Cb 0.66 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.68 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jpi s HIS 54 N 0.00 0.13 -0.02 1.24 -3.43 -0.87 -2.63 115.29 109.72 2jpi s HIS 54 Ca 0.00 -0.46 -0.01 0.00 -0.80 0.00 0.00 55.06 53.79 2jpi s HIS 54 Cb 0.00 -0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.08 2jpi s HIS 54 CO 0.00 -0.46 0.04 0.54 -2.00 0.00 0.00 174.74 172.86 2jpi s VAL 55 N -3.13 -0.01 0.05 -5.38 0.11 -1.00 0.11 120.40 111.15 2jpi s VAL 55 Ca -0.01 0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 2jpi s VAL 55 Cb 0.02 -0.07 -0.03 0.00 -1.53 0.00 0.00 36.38 34.77 2jpi s VAL 55 CO -0.07 0.01 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.70 2jpi s LEU 56 N 0.16 2.17 -0.19 2.54 1.43 0.35 -2.56 118.68 122.59 2jpi s LEU 56 Ca -0.01 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2jpi s LEU 56 Cb -0.02 -1.22 0.05 0.00 0.03 0.00 0.00 46.19 45.02 2jpi s LEU 56 CO -0.00 0.24 -0.06 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.27 1.59 -0.03 1.70 -1.94 -0.48 0.13 119.30 119.00 2jpi s MET 57 Ca 0.11 -0.67 0.06 0.00 -1.71 0.00 0.00 55.69 53.48 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 0.02 -0.46 -0.20 0.42 -0.01 0.00 0.00 175.02 174.79 2jpi s ILE 58 N 1.54 1.62 0.04 2.53 1.01 -1.00 -1.33 121.20 125.63 2jpi s ILE 58 Ca -0.01 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.88 2jpi s ILE 58 Cb -0.16 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2jpi s ILE 58 CO -0.08 0.46 -0.26 -1.48 0.00 0.00 0.00 174.94 173.59 2jpi s LEU 59 N -0.25 2.21 -0.31 2.97 -0.00 -1.23 -0.65 118.68 121.41 2jpi s LEU 59 Ca 0.02 -0.57 0.03 0.00 -0.00 0.00 0.00 54.13 53.61 2jpi s LEU 59 Cb -0.10 -1.31 0.09 0.00 -0.00 0.00 0.00 46.19 44.86 2jpi s LEU 59 CO 0.01 0.26 0.01 0.20 -0.00 0.00 0.00 176.35 176.84 2jpi s ASN 60 N -1.22 4.55 -0.15 1.48 0.01 -0.99 -4.17 114.94 114.45 2jpi s ASN 60 Ca 0.12 -1.87 -0.10 0.00 -0.71 0.00 0.00 52.86 50.30 2jpi s ASN 60 Cb -0.10 -1.50 0.05 0.00 0.41 0.00 0.00 41.25 40.11 2jpi s ASN 60 CO 0.02 -0.33 0.37 -0.44 -1.51 0.00 0.00 177.10 175.21 2jpi s SER 61 N 1.06 -0.43 0.17 -1.22 0.01 -1.24 0.90 113.70 112.95 2jpi s SER 61 Ca 0.05 0.78 0.15 0.00 1.31 0.00 0.00 55.95 58.24 2jpi s SER 61 Cb -0.19 0.72 0.71 0.00 0.21 0.00 0.00 66.02 67.47 2jpi s SER 61 CO -0.09 -0.16 1.46 -0.81 0.41 0.00 0.00 173.24 174.04 2jpi n PRO 62 N 3.66 0.09 -4.16 12.44 -0.04 -1.26 -2.11 135.00 143.63 2jpi n PRO 62 Ca -0.19 0.49 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 2jpi n PRO 62 Cb 0.56 -1.74 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.62 1.24 0.15 3.54 -4.77 -1.26 -4.00 116.67 107.95 2jpi s ASP 63 Ca 0.01 -0.51 -0.14 0.00 -3.30 0.00 0.00 52.55 48.61 2jpi s ASP 63 Cb 0.06 -0.03 0.03 0.00 -1.09 0.00 0.00 42.92 41.89 2jpi s ASP 63 CO 0.20 -0.10 1.71 -0.08 0.70 0.00 0.00 175.17 177.60 2jpi h GLU 64 N 4.65 0.73 -0.35 2.11 4.81 -1.97 1.05 114.58 125.61 2jpi h GLU 64 Ca -0.37 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2jpi h GLU 64 Cb 1.19 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.37 2jpi h GLU 64 CO 0.42 0.64 -0.31 0.22 -0.73 0.00 0.00 179.01 179.25 2jpi h ASP 65 N 0.65 -1.03 0.65 1.04 3.58 -1.97 1.21 116.42 120.55 2jpi h ASP 65 Ca 0.16 0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2jpi h ASP 65 Cb 0.18 0.48 0.01 0.00 1.72 0.00 0.00 39.33 41.71 2jpi h ASP 65 CO -0.02 -0.32 -0.31 -1.28 -2.88 0.00 0.00 179.24 174.43 2jpi h SER 66 N -0.27 -0.74 -0.95 2.28 0.87 -1.89 0.51 113.55 113.36 2jpi h SER 66 Ca 0.16 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.83 2jpi h SER 66 Cb 0.53 0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 62.57 2jpi h SER 66 CO -0.50 -0.53 -0.57 0.25 -0.53 0.00 0.00 176.83 174.96 2jpi h LEU 67 N -0.87 -2.08 -1.24 2.23 6.46 0.25 0.60 115.31 120.65 2jpi h LEU 67 Ca -0.09 0.32 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2jpi h LEU 67 Cb 0.67 0.92 -0.01 0.00 -0.73 0.00 0.00 40.66 41.51 2jpi h LEU 67 CO 0.14 -0.22 -0.13 0.00 -0.62 0.00 0.00 178.44 177.61 2jpi h ALA 68 N 0.43 1.37 -0.86 1.25 0.00 0.15 -1.96 119.26 119.65 2jpi h ALA 68 Ca 0.15 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2jpi h ALA 68 Cb 0.40 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2jpi h ALA 68 CO -0.90 0.43 0.56 1.25 0.00 0.00 0.00 179.25 180.59 2jpi h HIS 69 N 0.34 0.81 0.00 0.00 6.17 0.25 0.14 115.15 122.86 2jpi h HIS 69 Ca 0.07 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 2jpi h HIS 69 Cb 0.44 -0.26 -0.00 0.00 2.52 0.00 0.00 27.41 30.11 2jpi h HIS 69 CO 0.01 0.33 -0.02 0.52 0.71 0.00 0.00 177.93 179.48 2jpi h MET 70 N 0.71 0.00 -0.49 5.26 2.86 -0.40 -2.54 114.93 120.33 2jpi h MET 70 Ca 0.42 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.20 2jpi h MET 70 Cb 0.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2jpi h MET 70 CO -0.18 0.20 0.44 -0.56 1.06 0.00 0.00 176.91 177.86 2jpi h GLN 71 N -1.00 0.00 0.11 1.72 3.07 -1.23 -1.42 115.11 116.36 2jpi h GLN 71 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.55 2jpi h GLN 71 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.78 2jpi h GLN 71 CO -0.00 0.00 -0.88 -0.97 0.09 0.00 0.00 178.83 177.07 2jpi h ASN 72 N 0.00 0.36 -0.98 0.06 -0.73 -0.83 -3.16 115.58 110.30 2jpi h ASN 72 Ca 0.23 -0.91 0.29 0.00 1.87 0.00 0.00 56.30 57.78 2jpi h ASN 72 Cb 1.10 -0.12 -0.14 0.00 0.27 0.00 0.00 38.32 39.43 2jpi h ASN 72 CO -0.00 1.40 0.51 0.58 -0.37 0.00 0.00 177.43 179.55 2jpi h VAL 73 N -0.47 0.35 -0.06 2.57 2.07 -0.81 0.49 116.25 120.39 2jpi h VAL 73 Ca -0.17 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2jpi h VAL 73 Cb 1.57 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2jpi h VAL 73 CO 0.09 0.06 -0.21 0.58 0.02 0.00 0.00 177.57 178.11 2jpi h VAL 74 N 0.35 1.45 -0.61 2.57 2.07 -1.63 -3.04 116.25 117.41 2jpi h VAL 74 Ca 0.68 -1.63 0.18 0.00 0.82 0.00 0.00 66.70 66.75 2jpi h VAL 74 Cb 1.48 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 2jpi h VAL 74 CO -0.59 0.46 0.68 0.00 0.02 0.00 0.00 177.57 178.13 2jpi h ALA 75 N 0.42 2.38 0.07 1.67 0.00 -0.89 0.62 119.26 123.53 2jpi h ALA 75 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2jpi h ALA 75 Cb 0.85 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.71 2jpi h ALA 75 CO 0.04 -0.99 -1.14 0.22 0.00 0.00 0.00 179.25 177.38 2jpi h ASP 76 N 0.00 0.88 -0.47 0.00 3.58 -1.25 -3.27 116.42 115.89 2jpi h ASP 76 Ca 0.29 -0.79 -0.04 0.00 0.42 0.00 0.00 57.03 56.90 2jpi h ASP 76 Cb 1.64 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 2jpi h ASP 76 CO -0.00 1.57 0.12 0.45 -2.88 0.00 0.00 179.24 178.50 2jpi h HIS 77 N 0.30 0.78 0.00 0.28 3.86 0.30 -2.45 115.15 118.21 2jpi h HIS 77 Ca -0.16 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2jpi h HIS 77 Cb 1.81 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 30.06 2jpi h HIS 77 CO 0.11 0.70 -0.00 -0.07 0.86 0.00 0.00 177.93 179.53 2jpi h LEU 78 N 0.63 0.00 0.40 2.43 3.38 -1.50 -2.76 115.31 117.88 2jpi h LEU 78 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2jpi h LEU 78 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2jpi h LEU 78 CO 0.00 0.00 -0.19 1.56 0.09 0.00 0.00 178.44 179.90 2jpi h GLN 79 N 0.00 -0.51 0.00 1.13 4.20 -1.49 -3.05 115.11 115.38 2jpi h GLN 79 Ca -0.00 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jpi h GLN 79 Cb 0.04 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2jpi h GLN 79 CO 0.00 -0.34 -0.01 0.07 -0.67 0.00 0.00 178.83 177.88 2jpi h ARG 80 N -1.02 0.00 0.00 1.46 0.11 -1.53 0.55 114.38 113.94 2jpi h ARG 80 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2jpi h ARG 80 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2jpi h ARG 80 CO 0.09 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.17 2jpi h MET 81 N 0.00 0.00 0.00 0.08 -0.00 -1.56 -3.37 114.93 110.08 2jpi h MET 81 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.51 2jpi h MET 81 Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.60 2jpi h MET 81 CO 0.00 0.00 -1.49 0.00 -0.00 0.00 0.00 176.91 175.42 2jpi n ALA 82 N -2.02 1.94 -2.48 -3.00 0.00 -0.43 -5.10 120.51 109.41 2jpi n ALA 82 Ca 0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 2jpi n ALA 82 Cb 0.44 0.25 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 2jpi n ALA 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jpi n ASN 83 N -3.80 -0.68 0.00 0.00 3.02 0.18 -4.98 115.26 109.00 2jpi n ASN 83 Ca -0.24 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2jpi n ASN 83 Cb 0.59 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 2jpi n ASN 83 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jpi n SER 84 N 1.50 0.00 -3.78 6.41 2.88 -1.26 -5.11 113.62 114.26 2jpi n SER 84 Ca -0.37 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.10 2jpi n SER 84 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 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 1.74 -0.92 -1.46 -1.05 -1.26 -5.04 118.70 110.71 2jpi s GLU 85 Ca 0.00 -0.98 -0.21 0.00 -0.15 0.00 0.00 54.97 53.64 2jpi s GLU 85 Cb 0.00 0.58 -0.12 0.00 -0.44 0.00 0.00 34.13 34.16 2jpi s GLU 85 CO 0.00 -0.80 1.98 0.45 0.95 0.00 0.00 175.26 177.84 2jpi n SER 86 N -0.53 2.81 0.00 0.83 2.88 -1.26 -4.75 113.62 113.59 2jpi n SER 86 Ca -0.05 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.78 2jpi n SER 86 Cb 0.59 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 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 7.52 0.00 -4.55 2.46 7.99 -1.26 -4.61 117.00 124.55 2jpi n LEU 87 Ca 0.50 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 56.13 2jpi n LEU 87 Cb 0.40 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 2jpi n LEU 87 CO 1.00 0.00 1.56 -0.70 -1.51 0.00 0.00 177.39 177.73 2jpi s GLU 88 N 0.00 2.63 -0.05 3.23 2.12 -1.26 -4.91 118.70 120.45 2jpi s GLU 88 Ca 0.00 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.77 2jpi s GLU 88 Cb 0.00 -4.50 0.02 0.00 0.26 0.00 0.00 34.13 29.91 2jpi s GLU 88 CO 0.00 -2.83 -0.05 0.96 -0.54 0.00 0.00 175.26 172.80 2jpi s ILE 89 N 9.17 0.59 -0.41 -3.70 -0.00 -1.26 -4.82 121.20 120.77 2jpi s ILE 89 Ca 0.67 -0.14 -0.16 0.00 -0.00 0.00 0.00 60.65 61.01 2jpi s ILE 89 Cb -0.11 -0.61 0.02 0.00 -0.00 0.00 0.00 42.46 41.75 2jpi s ILE 89 CO 0.17 0.24 0.38 0.00 -0.00 0.00 0.00 174.94 175.73 2jpi s ALA 90 N 0.97 3.45 -0.04 2.27 0.00 -1.26 -5.03 121.76 122.12 2jpi s ALA 90 Ca -0.10 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 2jpi s ALA 90 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 2jpi s ALA 90 CO -0.00 -1.47 0.50 1.67 0.00 0.00 0.00 175.76 176.45 2jpi s TRP 91 N 1.98 3.63 0.32 0.00 -2.14 -1.26 -4.05 118.94 117.43 2jpi s TRP 91 Ca 0.10 1.02 -0.09 0.00 2.66 0.00 0.00 56.10 59.79 2jpi s TRP 91 Cb -0.18 -2.49 -0.06 0.00 -3.10 0.00 0.00 33.47 27.64 2jpi s TRP 91 CO 0.12 0.37 0.65 -0.65 -2.66 0.00 0.00 176.95 174.78 2jpi s GLN 92 N -0.15 3.75 0.35 3.25 -0.21 -1.24 -4.98 119.66 120.43 2jpi s GLN 92 Ca 0.27 0.28 0.13 0.00 0.02 0.00 0.00 55.36 56.06 2jpi s GLN 92 Cb -0.17 -2.53 0.99 0.00 1.00 0.00 0.00 33.01 32.30 2jpi s GLN 92 CO 0.13 0.13 1.73 -1.35 -2.12 0.00 0.00 175.29 173.82 2jpi h PRO 93 N 1.72 0.47 -0.38 2.91 0.11 -1.94 -3.42 132.00 131.47 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 32.19 2jpi h PRO 93 CO 0.66 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 2jpi n ALA 94 N -2.36 -0.04 -3.67 -0.75 0.00 -1.26 -4.82 120.51 107.61 2jpi n ALA 94 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 2jpi n ALA 94 Cb 0.83 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.06 0.40 0.00 0.00 2.12 -1.11 -2.91 118.70 116.13 2jpi s GLU 95 Ca 0.00 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.29 2jpi s GLU 95 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2jpi s GLU 95 CO 0.00 -0.20 0.00 0.45 -0.54 0.00 0.00 175.26 174.97