#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 2.81 -0.13 3.17 0.08 0.58 -4.82 117.98 119.66 2jpi s PHE 2 Ca 0.00 0.20 -0.06 0.00 0.12 0.00 0.00 56.93 57.20 2jpi s PHE 2 Cb 0.00 -3.01 0.06 0.00 -0.57 0.00 0.00 43.02 39.50 2jpi s PHE 2 CO 0.00 -1.21 0.29 0.50 -0.10 0.00 0.00 175.22 174.71 2jpi s ARG 3 N -5.04 0.22 0.30 0.44 6.06 -0.53 -3.32 118.95 117.09 2jpi s ARG 3 Ca 0.59 0.71 0.09 0.00 -2.50 0.00 0.00 55.73 54.63 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 0.42 -0.22 0.01 0.45 -2.50 0.00 0.00 175.30 173.45 2jpi s SER 4 N 1.91 4.35 -0.10 -2.12 0.15 -1.26 -3.67 113.70 112.96 2jpi s SER 4 Ca -0.04 -0.82 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 2jpi s SER 4 Cb -0.11 -0.67 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 2jpi s SER 4 CO -0.10 -0.13 0.22 0.42 1.20 0.00 0.00 173.24 174.86 2jpi s THR 5 N -2.42 -0.09 -0.14 6.45 -4.23 -1.26 -3.44 115.64 110.51 2jpi s THR 5 Ca 0.33 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2jpi s THR 5 Cb -0.03 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 2jpi s THR 5 CO 0.20 0.07 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.72 2jpi s SER 6 N 1.41 4.43 -0.13 3.99 0.15 -0.37 -3.74 113.70 119.44 2jpi s SER 6 Ca -0.08 -0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 2jpi s SER 6 Cb -0.11 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 2jpi s SER 6 CO -0.08 0.18 -0.12 -2.28 1.20 0.00 0.00 173.24 172.15 2jpi s HIS 7 N 0.27 2.84 0.03 3.44 2.46 -1.26 -1.34 115.29 121.73 2jpi s HIS 7 Ca -0.06 -0.55 -0.01 0.00 0.47 0.00 0.00 55.06 54.91 2jpi s HIS 7 Cb -0.15 -1.85 -0.03 0.00 -0.13 0.00 0.00 32.58 30.43 2jpi s HIS 7 CO 0.04 -0.15 -0.02 0.08 -2.47 0.00 0.00 174.74 172.22 2jpi s VAL 8 N 0.26 0.15 -0.46 0.89 1.01 -1.00 -4.26 120.40 116.98 2jpi s VAL 8 Ca -0.08 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 2jpi s VAL 8 Cb -0.15 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.58 2jpi s VAL 8 CO 0.05 -0.67 0.37 -0.13 0.00 0.00 0.00 175.10 174.72 2jpi s ARG 9 N -2.34 2.95 0.14 2.72 3.00 -1.26 -2.29 118.95 121.86 2jpi s ARG 9 Ca -0.08 -1.31 0.05 0.00 0.00 0.00 0.00 55.73 54.39 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 -0.98 -0.12 -0.08 0.00 0.00 0.00 175.30 174.08 2jpi s THR 10 N 1.63 1.27 0.01 0.02 -1.32 -1.09 -4.98 115.64 111.17 2jpi s THR 10 Ca 0.04 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.66 2jpi s THR 10 Cb -0.23 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 2jpi s THR 10 CO 0.07 -0.56 0.05 -1.61 -2.21 0.00 0.00 174.62 170.36 2jpi s GLU 11 N -3.13 2.95 -1.74 7.08 2.02 -1.26 -2.06 118.70 122.56 2jpi s GLU 11 Ca 0.12 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2jpi s GLU 11 Cb -0.02 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2jpi s GLU 11 CO 0.02 0.63 0.00 0.45 0.02 0.00 0.00 175.26 176.38 2jpi n SER 12 N 1.17 -5.45 -0.12 -0.19 2.88 0.56 -4.88 113.62 107.59 2jpi n SER 12 Ca -0.13 0.12 -0.04 0.00 -1.33 0.00 0.00 58.87 57.49 2jpi n SER 12 Cb 0.53 -4.61 0.03 0.00 -0.75 0.00 0.00 64.21 59.40 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 0.82 0.35 -1.19 -1.46 0.00 -1.70 -2.79 119.26 113.29 2jpi h ALA 13 Ca -0.44 0.13 0.35 0.00 0.00 0.00 0.00 54.91 54.94 2jpi h ALA 13 Cb 1.32 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 2jpi h ALA 13 CO 0.55 -0.41 1.17 0.00 0.00 0.00 0.00 179.25 180.56 2jpi h ALA 14 N 1.37 3.10 0.22 0.00 0.00 -1.57 0.22 119.26 122.59 2jpi h ALA 14 Ca 0.20 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 2jpi h ALA 14 Cb 0.29 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jpi h ALA 14 CO -0.35 -1.78 -1.53 -0.09 0.00 0.00 0.00 179.25 175.49 2jpi h ARG 15 N 0.00 0.46 0.00 0.00 1.12 -1.80 -2.94 114.38 111.22 2jpi h ARG 15 Ca 0.57 -0.78 -0.02 0.00 -1.11 0.00 0.00 59.98 58.64 2jpi h ARG 15 Cb 2.89 0.29 -0.00 0.00 -0.01 0.00 0.00 29.97 33.14 2jpi h ARG 15 CO -0.01 1.37 -0.08 1.88 -3.11 0.00 0.00 179.97 180.02 2jpi h TYR 16 N 0.12 0.00 0.13 2.20 0.05 -0.70 0.11 116.97 118.87 2jpi h TYR 16 Ca -0.27 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.28 2jpi h TYR 16 Cb 2.12 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.87 2jpi h TYR 16 CO 0.11 0.08 -1.14 0.28 -1.05 0.00 0.00 178.16 176.44 2jpi h VAL 17 N 0.00 1.25 0.00 -2.88 2.07 -1.59 -3.28 116.25 111.82 2jpi h VAL 17 Ca -0.00 -2.46 -0.11 0.00 0.82 0.00 0.00 66.70 64.95 2jpi h VAL 17 Cb 0.30 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2jpi h VAL 17 CO 0.01 0.70 -0.51 0.78 0.02 0.00 0.00 177.57 178.57 2jpi h ASN 18 N -0.35 0.00 1.61 0.57 2.35 -1.28 -3.05 115.58 115.44 2jpi h ASN 18 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2jpi h ASN 18 Cb 1.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.07 2jpi h ASN 18 CO 0.10 0.51 0.00 -0.09 -1.65 0.00 0.00 177.43 176.30 2jpi h ARG 19 N 0.00 0.00 -0.09 0.81 9.65 -0.94 -3.31 114.38 120.50 2jpi h ARG 19 Ca -0.01 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2jpi h ARG 19 Cb 0.92 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2jpi h ARG 19 CO 0.07 0.00 -0.21 -0.07 2.80 0.00 0.00 179.97 182.56 2jpi h LEU 20 N 0.00 0.33 -0.85 3.80 3.38 -1.59 -2.07 115.31 118.32 2jpi h LEU 20 Ca 0.00 -0.58 0.14 0.00 0.09 0.00 0.00 57.88 57.53 2jpi h LEU 20 Cb 0.81 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 2jpi h LEU 20 CO 0.00 0.85 0.44 0.00 0.09 0.00 0.00 178.44 179.83 2jpi h LYS 22 N 0.65 0.00 0.00 0.00 1.57 -1.70 -0.91 116.57 116.18 2jpi h LYS 22 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2jpi h LYS 22 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2jpi h LYS 22 CO -0.35 0.01 -0.17 1.25 -0.57 0.00 0.00 179.45 179.62 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.52 -3.39 115.15 113.68 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 0.87 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2jpi h HIS 23 CO 0.00 0.00 -0.21 0.91 -1.30 0.00 0.00 177.93 177.33 2jpi n TRP 24 N -4.00 0.34 -0.83 5.26 7.02 0.20 -4.52 117.44 120.91 2jpi n TRP 24 Ca -0.02 0.10 -0.32 0.00 -1.02 0.00 0.00 57.50 56.24 2jpi n TRP 24 Cb 0.09 -0.59 -0.04 0.00 -2.42 0.00 0.00 31.31 28.35 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 1.42 2.49 0.04 6.99 0.00 -0.35 -4.04 105.19 111.75 2jpi n GLY 25 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 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 6.22 0.00 -2.01 1.61 -0.00 -1.26 -4.79 115.22 114.99 2jpi n HIS 26 Ca 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2jpi n HIS 26 Cb 0.27 -0.44 -0.00 0.00 -0.00 0.00 0.00 29.99 29.82 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2jpi n LYS 27 N -2.29 0.00 -4.10 1.57 0.00 -1.26 -5.12 118.16 106.97 2jpi n LYS 27 Ca -0.14 -0.49 -0.08 0.00 0.00 0.00 0.00 58.31 57.61 2jpi n LYS 27 Cb 0.74 -0.20 -0.10 0.00 0.00 0.00 0.00 35.03 35.46 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 0.59 -0.24 5.64 0.08 -1.26 -5.12 117.98 117.67 2jpi s PHE 28 Ca 0.01 -1.10 -0.29 0.00 0.12 0.00 0.00 56.93 55.67 2jpi s PHE 28 Cb 0.01 -0.40 -0.00 0.00 -0.57 0.00 0.00 43.02 42.06 2jpi s PHE 28 CO -0.00 -0.42 1.21 -1.83 -0.10 0.00 0.00 175.22 174.07 2jpi s GLU 29 N -3.95 4.11 -0.19 0.44 -1.05 -1.26 -4.74 118.70 112.07 2jpi s GLU 29 Ca 0.11 1.38 -0.01 0.00 -0.15 0.00 0.00 54.97 56.31 2jpi s GLU 29 Cb 0.08 -3.78 0.05 0.00 -0.44 0.00 0.00 34.13 30.04 2jpi s GLU 29 CO -0.07 -0.86 -0.03 0.14 0.95 0.00 0.00 175.26 175.39 2jpi s VAL 30 N 3.75 1.08 0.33 1.83 -7.23 -1.25 -2.65 120.40 116.26 2jpi s VAL 30 Ca 0.52 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.89 2jpi s VAL 30 Cb -0.17 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2jpi s VAL 30 CO 0.16 -0.02 0.57 -0.70 -0.31 0.00 0.00 175.10 174.80 2jpi s GLU 31 N 1.62 3.56 -0.17 4.82 2.12 0.70 -4.91 118.70 126.44 2jpi s GLU 31 Ca -0.02 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.15 2jpi s GLU 31 Cb -0.17 -2.63 0.06 0.00 0.26 0.00 0.00 34.13 31.65 2jpi s GLU 31 CO -0.07 0.15 0.10 -1.17 -0.54 0.00 0.00 175.26 173.73 2jpi s LEU 32 N -3.96 0.31 0.12 2.70 0.20 -1.26 -2.68 118.68 114.10 2jpi s LEU 32 Ca 0.42 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.74 2jpi s LEU 32 Cb -0.10 -0.20 -0.04 0.00 -0.43 0.00 0.00 46.19 45.42 2jpi s LEU 32 CO 0.34 -0.35 -0.16 0.42 -0.29 0.00 0.00 176.35 176.31 2jpi s THR 33 N 2.15 1.44 -0.45 3.68 -4.23 -1.01 -5.02 115.64 112.21 2jpi s THR 33 Ca 0.02 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 2jpi s THR 33 Cb -0.16 -1.52 -0.12 0.00 1.34 0.00 0.00 72.50 72.04 2jpi s THR 33 CO -0.09 -0.31 2.35 -0.81 -0.54 0.00 0.00 174.62 175.22 2jpi n PRO 34 N 0.69 1.71 0.00 3.99 -0.04 -1.26 -2.30 135.00 137.80 2jpi n PRO 34 Ca -0.17 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 2jpi n PRO 34 Cb 0.56 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 3.32 0.00 -3.70 0.54 1.02 -1.26 -5.03 120.64 115.52 2jpi n GLU 35 Ca 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.49 2jpi n GLU 35 Cb 0.38 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.79 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 -0.91 0.89 0.13 3.49 1.70 -0.97 -0.60 118.95 122.68 2jpi s ARG 36 Ca 0.00 -0.49 0.08 0.00 -0.47 0.00 0.00 55.73 54.85 2jpi s ARG 36 Cb 0.00 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 2jpi s ARG 36 CO 0.00 -0.41 -0.11 0.20 -1.08 0.00 0.00 175.30 173.90 2jpi s GLY 37 N -2.94 1.75 -0.15 3.88 0.00 -0.57 -2.40 107.32 106.89 2jpi s GLY 37 Ca 0.13 -1.34 -0.00 0.00 0.00 0.00 0.00 44.72 43.50 2jpi s GLY 37 CO -0.00 -1.33 -0.07 -0.12 0.00 0.00 0.00 173.10 171.57 2jpi s PHE 38 N -1.36 1.70 -0.22 1.90 5.36 -1.09 -2.01 117.98 122.26 2jpi s PHE 38 Ca 0.22 -1.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.16 2jpi s PHE 38 Cb -0.10 -1.33 0.06 0.00 -0.34 0.00 0.00 43.02 41.32 2jpi s PHE 38 CO 0.14 -0.59 0.01 0.42 -1.46 0.00 0.00 175.22 173.73 2jpi s ILE 39 N 1.63 0.90 -0.18 3.12 1.01 -1.01 -0.22 121.20 126.45 2jpi s ILE 39 Ca 0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 2jpi s ILE 39 Cb -0.14 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2jpi s ILE 39 CO -0.08 -0.21 0.16 -0.62 0.00 0.00 0.00 174.94 174.19 2jpi s ASP 40 N 1.68 6.28 0.00 3.58 -1.08 -1.08 -1.56 116.67 124.49 2jpi s ASP 40 Ca -0.02 0.32 0.22 0.00 -0.52 0.00 0.00 52.55 52.55 2jpi s ASP 40 Cb -0.18 -2.11 0.43 0.00 -1.46 0.00 0.00 42.92 39.60 2jpi s ASP 40 CO -0.09 0.20 1.39 0.49 0.52 0.00 0.00 175.17 177.68 2jpi n PHE 41 N 3.31 0.53 0.00 -5.34 3.72 -1.25 -4.01 117.46 114.41 2jpi n PHE 41 Ca -0.16 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 2jpi n PHE 41 Cb 0.52 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jpi n GLY 42 N 1.44 1.71 2.42 1.37 0.00 -1.26 -4.85 105.19 106.02 2jpi n GLY 42 Ca 0.19 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 2jpi n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpi n ASP 43 N 0.00 6.53 0.00 1.61 2.03 -1.26 -4.87 116.55 120.58 2jpi n ASP 43 Ca 0.00 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.09 2jpi n ASP 43 Cb 0.00 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 2jpi n ASP 43 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jpi n SER 44 N 0.73 0.00 -3.70 1.67 2.88 -1.26 -4.10 113.62 109.84 2jpi n SER 44 Ca 0.47 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.97 2jpi n SER 44 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 2jpi n SER 44 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2jpi s ASN 45 N -4.00 -0.20 -0.28 -3.46 0.01 0.55 -3.93 114.94 103.63 2jpi s ASN 45 Ca 0.00 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 2jpi s ASN 45 Cb 0.00 0.44 0.15 0.00 0.41 0.00 0.00 41.25 42.25 2jpi s ASN 45 CO 0.00 -0.80 0.38 0.00 -1.51 0.00 0.00 177.10 175.18 2jpi s GLU 47 N 2.52 2.91 -0.04 0.00 2.12 0.32 -2.41 118.70 124.13 2jpi s GLU 47 Ca 0.10 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.70 2jpi s GLU 47 Cb -0.13 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.56 2jpi s GLU 47 CO -0.27 0.55 0.05 -0.48 -0.54 0.00 0.00 175.26 174.56 2jpi s LEU 48 N -2.57 0.45 -0.07 2.70 2.34 -0.85 -1.66 118.68 119.02 2jpi s LEU 48 Ca 0.30 0.06 -0.21 0.00 0.06 0.00 0.00 54.13 54.34 2jpi s LEU 48 Cb -0.12 -0.13 -0.04 0.00 -0.56 0.00 0.00 46.19 45.34 2jpi s LEU 48 CO 0.23 -0.21 0.60 -0.22 -1.06 0.00 0.00 176.35 175.69 2jpi s LEU 49 N 1.82 4.32 -0.16 1.48 2.96 0.33 -1.51 118.68 127.92 2jpi s LEU 49 Ca 0.01 1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.92 2jpi s LEU 49 Cb -0.12 -2.92 0.06 0.00 0.50 0.00 0.00 46.19 43.71 2jpi s LEU 49 CO -0.03 -0.04 0.09 0.00 -1.32 0.00 0.00 176.35 175.05 2jpi s ALA 50 N 0.56 0.41 0.32 5.97 0.00 0.23 0.86 121.76 130.12 2jpi s ALA 50 Ca 0.32 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.09 2jpi s ALA 50 Cb -0.17 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2jpi s ALA 50 CO 0.15 -1.13 0.06 -1.58 0.00 0.00 0.00 175.76 173.26 2jpi s HIS 51 N 2.14 2.66 0.66 0.00 2.46 0.17 -2.83 115.29 120.56 2jpi s HIS 51 Ca 0.02 -0.35 0.15 0.00 0.47 0.00 0.00 55.06 55.36 2jpi s HIS 51 Cb -0.16 -1.46 0.84 0.00 -0.13 0.00 0.00 32.58 31.67 2jpi s HIS 51 CO -0.09 0.46 1.47 -1.35 -2.47 0.00 0.00 174.74 172.77 2jpi h PRO 52 N 1.72 0.00 0.00 2.88 0.11 -1.91 -2.61 132.00 132.19 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 -2.70 0.00 -3.89 -2.05 -0.08 -1.21 -0.32 116.55 106.30 2jpi n ASP 53 Ca -0.01 -1.00 -0.09 0.00 -1.51 0.00 0.00 54.79 52.17 2jpi n ASP 53 Cb 0.68 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.06 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2jpi s HIS 54 N 0.00 0.15 -0.02 -0.67 -3.43 -0.88 -2.67 115.29 107.77 2jpi s HIS 54 Ca 0.00 -0.47 -0.01 0.00 -0.80 0.00 0.00 55.06 53.78 2jpi s HIS 54 Cb 0.00 -0.09 0.01 0.00 -1.43 0.00 0.00 32.58 31.07 2jpi s HIS 54 CO 0.00 -0.44 0.04 0.54 -2.00 0.00 0.00 174.74 172.88 2jpi s VAL 55 N -2.99 -0.02 0.07 -5.38 0.11 -0.97 0.46 120.40 111.68 2jpi s VAL 55 Ca -0.02 0.07 0.09 0.00 -2.93 0.00 0.00 61.98 59.19 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 -0.06 0.03 -0.24 -0.76 -3.33 0.00 0.00 175.10 170.74 2jpi s LEU 56 N 0.35 2.36 -0.18 2.54 1.43 0.25 -2.39 118.68 123.04 2jpi s LEU 56 Ca -0.03 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2jpi s LEU 56 Cb -0.04 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2jpi s LEU 56 CO -0.01 0.23 -0.05 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.59 1.48 -0.02 1.70 -1.94 -0.45 0.12 119.30 118.61 2jpi s MET 57 Ca 0.14 -0.63 0.06 0.00 -1.71 0.00 0.00 55.69 53.54 2jpi s MET 57 Cb -0.10 -2.16 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 2jpi s MET 57 CO 0.05 -0.47 -0.19 0.42 -0.01 0.00 0.00 175.02 174.81 2jpi s ILE 58 N 1.58 1.49 0.29 2.53 1.01 -0.67 -1.23 121.20 126.21 2jpi s ILE 58 Ca -0.01 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 59.95 2jpi s ILE 58 Cb -0.16 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2jpi s ILE 58 CO -0.08 0.42 -0.15 -1.48 0.00 0.00 0.00 174.94 173.66 2jpi s LEU 59 N -0.38 2.70 -0.28 2.97 -0.00 -1.22 -0.52 118.68 121.95 2jpi s LEU 59 Ca 0.06 -1.02 -0.02 0.00 -0.00 0.00 0.00 54.13 53.15 2jpi s LEU 59 Cb -0.08 -1.16 0.09 0.00 -0.00 0.00 0.00 46.19 45.04 2jpi s LEU 59 CO -0.00 -0.03 0.09 0.20 -0.00 0.00 0.00 176.35 176.61 2jpi s ASN 60 N -3.56 3.72 -0.07 1.48 0.01 -0.83 -4.32 114.94 111.37 2jpi s ASN 60 Ca 0.31 -1.40 -0.06 0.00 -0.71 0.00 0.00 52.86 51.00 2jpi s ASN 60 Cb -0.03 -0.73 0.02 0.00 0.41 0.00 0.00 41.25 40.91 2jpi s ASN 60 CO 0.16 -0.39 0.17 -0.44 -1.51 0.00 0.00 177.10 175.09 2jpi s SER 61 N 1.74 -0.18 0.00 -1.22 0.01 -1.21 0.21 113.70 113.05 2jpi s SER 61 Ca 0.07 0.35 0.26 0.00 1.31 0.00 0.00 55.95 57.94 2jpi s SER 61 Cb -0.17 0.34 1.42 0.00 0.21 0.00 0.00 66.02 67.82 2jpi s SER 61 CO -0.23 -0.07 1.91 -0.81 0.41 0.00 0.00 173.24 174.45 2jpi n PRO 62 N 3.12 0.55 -3.81 12.44 -0.04 -1.26 -0.31 135.00 145.69 2jpi n PRO 62 Ca -0.14 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2jpi n PRO 62 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 2jpi n PRO 62 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jpi s ASP 63 N -2.36 -0.13 0.24 3.54 2.15 -1.26 -4.50 116.67 114.35 2jpi s ASP 63 Ca 0.31 0.10 -0.06 0.00 0.43 0.00 0.00 52.55 53.33 2jpi s ASP 63 Cb 0.18 0.33 0.30 0.00 -0.30 0.00 0.00 42.92 43.43 2jpi s ASP 63 CO 0.36 -0.32 1.88 -0.33 -0.17 0.00 0.00 175.17 176.60 2jpi h GLU 64 N 4.55 1.08 -0.37 4.34 3.07 -1.97 0.55 114.58 125.85 2jpi h GLU 64 Ca -0.29 -0.07 0.08 0.00 -0.50 0.00 0.00 59.36 58.58 2jpi h GLU 64 Cb 1.19 -0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 28.77 2jpi h GLU 64 CO 0.39 0.72 -0.33 0.22 -1.40 0.00 0.00 179.01 178.61 2jpi h ASP 65 N 1.12 -1.08 0.65 1.42 1.82 -1.98 1.24 116.42 119.60 2jpi h ASP 65 Ca 0.37 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 57.16 2jpi h ASP 65 Cb 0.04 0.50 0.01 0.00 0.68 0.00 0.00 39.33 40.55 2jpi h ASP 65 CO -0.13 -0.33 -0.31 0.28 -1.61 0.00 0.00 179.24 177.14 2jpi h SER 66 N -0.27 -0.74 -0.97 2.28 0.02 -1.82 0.90 113.55 112.95 2jpi h SER 66 Ca 0.16 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 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 -0.52 -0.49 -0.58 0.25 -1.14 0.00 0.00 176.83 174.36 2jpi h LEU 67 N -0.92 -2.11 -0.87 5.07 6.46 0.13 0.36 115.31 123.41 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 0.15 -0.23 -0.18 0.00 -0.62 0.00 0.00 178.44 177.56 2jpi h ALA 68 N 0.46 1.05 -0.92 1.25 0.00 0.15 -1.83 119.26 119.42 2jpi h ALA 68 Ca 0.16 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.89 2jpi h ALA 68 Cb 0.40 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2jpi h ALA 68 CO -0.91 0.58 0.59 1.25 0.00 0.00 0.00 179.25 180.75 2jpi h HIS 69 N 0.57 0.87 0.02 0.00 -0.00 0.22 0.28 115.15 117.10 2jpi h HIS 69 Ca 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 2jpi h HIS 69 Cb 0.62 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 2jpi h HIS 69 CO 0.03 0.30 -0.01 0.52 -0.00 0.00 0.00 177.93 178.77 2jpi h MET 70 N 0.71 -0.03 -0.49 5.26 2.86 -0.38 -2.45 114.93 120.42 2jpi h MET 70 Ca 0.47 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.26 2jpi h MET 70 Cb 0.75 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2jpi h MET 70 CO -0.23 0.18 0.37 -0.56 1.06 0.00 0.00 176.91 177.73 2jpi h GLN 71 N -1.00 0.00 0.13 1.72 3.07 -1.15 -1.92 115.11 115.95 2jpi h GLN 71 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 2jpi h GLN 71 Cb 0.22 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.80 2jpi h GLN 71 CO 0.00 0.00 -0.81 -0.97 0.09 0.00 0.00 178.83 177.15 2jpi h ASN 72 N 0.00 0.42 -0.93 0.06 -0.73 -0.57 -3.12 115.58 110.71 2jpi h ASN 72 Ca 0.23 -0.94 0.24 0.00 1.87 0.00 0.00 56.30 57.70 2jpi h ASN 72 Cb 0.97 -0.14 -0.13 0.00 0.27 0.00 0.00 38.32 39.29 2jpi h ASN 72 CO -0.00 1.38 0.44 0.58 -0.37 0.00 0.00 177.43 179.46 2jpi h VAL 73 N -0.42 0.43 -0.09 2.57 2.07 -0.84 -0.23 116.25 119.73 2jpi h VAL 73 Ca -0.15 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2jpi h VAL 73 Cb 1.60 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2jpi h VAL 73 CO 0.13 0.07 -0.18 0.58 0.02 0.00 0.00 177.57 178.19 2jpi h VAL 74 N 0.39 1.40 -1.02 2.57 2.07 -1.61 -2.95 116.25 117.10 2jpi h VAL 74 Ca 0.60 -1.47 0.30 0.00 0.82 0.00 0.00 66.70 66.95 2jpi h VAL 74 Cb 1.21 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 2jpi h VAL 74 CO -0.55 0.42 0.83 0.00 0.02 0.00 0.00 177.57 178.29 2jpi h ALA 75 N 0.51 2.90 0.03 1.67 0.00 -0.99 0.65 119.26 124.02 2jpi h ALA 75 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2jpi h ALA 75 Cb 0.76 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jpi h ALA 75 CO 0.04 -1.35 -0.82 0.22 0.00 0.00 0.00 179.25 177.33 2jpi h ASP 76 N 0.00 0.68 -0.81 0.00 3.58 -1.22 -3.08 116.42 115.57 2jpi h ASP 76 Ca 0.48 -0.78 0.03 0.00 0.42 0.00 0.00 57.03 57.19 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 1.38 0.52 0.45 -2.88 0.00 0.00 179.24 178.70 2jpi h HIS 77 N 0.06 0.97 0.00 0.28 3.86 0.42 -0.14 115.15 120.60 2jpi h HIS 77 Ca -0.11 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2jpi h HIS 77 Cb 1.52 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 2jpi h HIS 77 CO 0.13 0.55 -0.19 -0.07 0.86 0.00 0.00 177.93 179.22 2jpi h LEU 78 N 1.00 0.00 -0.12 2.43 3.38 -1.45 -2.86 115.31 117.69 2jpi h LEU 78 Ca 0.33 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.09 2jpi h LEU 78 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2jpi h LEU 78 CO -0.12 0.19 -0.73 -0.61 0.09 0.00 0.00 178.44 177.26 2jpi h GLN 79 N 0.00 0.71 -0.59 1.13 4.15 -0.95 -2.00 115.11 117.55 2jpi h GLN 79 Ca -0.00 -0.60 -0.04 0.00 0.77 0.00 0.00 58.65 58.78 2jpi h GLN 79 Cb 0.45 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2jpi h GLN 79 CO 0.02 1.21 0.21 0.00 -1.93 0.00 0.00 178.83 178.35 2jpi h ARG 80 N 0.40 0.87 0.00 1.69 3.08 -1.14 -1.58 114.38 117.70 2jpi h ARG 80 Ca -0.06 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2jpi h ARG 80 Cb 1.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2jpi h ARG 80 CO 0.15 0.72 -0.10 0.00 -1.07 0.00 0.00 179.97 179.67 2jpi n MET 81 N -4.31 0.11 -3.42 0.04 0.00 -1.12 -4.39 117.12 104.03 2jpi n MET 81 Ca 0.05 0.08 -0.27 0.00 0.00 0.00 0.00 57.70 57.55 2jpi n MET 81 Cb 0.18 -1.61 -0.10 0.00 0.00 0.00 0.00 33.22 31.68 2jpi n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jpi s ALA 82 N -3.05 1.40 1.00 3.17 0.00 -0.61 -5.09 121.76 118.58 2jpi s ALA 82 Ca 0.12 -2.41 0.00 0.00 0.00 0.00 0.00 51.96 49.67 2jpi s ALA 82 Cb 0.16 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2jpi s ALA 82 CO 0.58 -1.99 0.00 -1.71 0.00 0.00 0.00 175.76 172.64 2jpi n ASN 83 N 2.98 -0.14 0.00 0.00 5.15 -1.13 -4.40 115.26 117.72 2jpi n ASN 83 Ca 0.27 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 2jpi n ASN 83 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 2jpi n ASN 83 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2jpi n SER 84 N -0.27 0.00 -4.67 1.20 2.88 -1.26 -4.82 113.62 106.68 2jpi n SER 84 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2jpi n SER 84 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 2.46 -1.11 -1.46 -1.05 -1.26 -5.02 118.70 111.26 2jpi s GLU 85 Ca 0.00 -0.90 -0.19 0.00 -0.15 0.00 0.00 54.97 53.74 2jpi s GLU 85 Cb 0.00 -2.48 -0.06 0.00 -0.44 0.00 0.00 34.13 31.15 2jpi s GLU 85 CO 0.00 0.53 2.04 0.43 0.95 0.00 0.00 175.26 179.21 2jpi n SER 86 N 0.52 3.26 -0.88 0.83 7.64 -1.26 -4.75 113.62 118.97 2jpi n SER 86 Ca -0.11 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.01 2jpi n SER 86 Cb 0.52 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 7.39 -0.63 -4.55 -3.43 7.99 -1.26 -4.64 117.00 117.87 2jpi n LEU 87 Ca 0.50 0.36 -0.37 0.00 -0.01 0.00 0.00 56.01 56.50 2jpi n LEU 87 Cb 0.41 -0.56 -0.03 0.00 -0.11 0.00 0.00 43.42 43.12 2jpi n LEU 87 CO 0.94 -0.73 1.52 -0.70 -1.51 0.00 0.00 177.39 176.91 2jpi s GLU 88 N 0.00 2.69 -0.05 3.23 -6.30 -1.26 -4.92 118.70 112.09 2jpi s GLU 88 Ca 0.00 0.34 0.01 0.00 -2.50 0.00 0.00 54.97 52.82 2jpi s GLU 88 Cb 0.00 -4.49 0.02 0.00 0.00 0.00 0.00 34.13 29.66 2jpi s GLU 88 CO 0.00 -2.76 -0.07 0.96 0.02 0.00 0.00 175.26 173.41 2jpi s ILE 89 N 8.81 0.73 -0.41 -3.70 -0.00 -1.26 -4.80 121.20 120.57 2jpi s ILE 89 Ca 0.64 -0.23 -0.16 0.00 -0.00 0.00 0.00 60.65 60.90 2jpi s ILE 89 Cb -0.11 -0.73 0.02 0.00 -0.00 0.00 0.00 42.46 41.64 2jpi s ILE 89 CO 0.16 0.27 0.35 0.00 -0.00 0.00 0.00 174.94 175.73 2jpi s ALA 90 N 0.91 3.46 -0.12 2.27 0.00 -1.26 -5.02 121.76 122.00 2jpi s ALA 90 Ca -0.11 -1.59 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 2jpi s ALA 90 Cb -0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2jpi s ALA 90 CO 0.01 -1.45 0.35 1.67 0.00 0.00 0.00 175.76 176.33 2jpi s TRP 91 N 1.88 3.52 0.34 0.00 1.48 -1.26 -3.99 118.94 120.91 2jpi s TRP 91 Ca 0.08 0.73 -0.08 0.00 -1.06 0.00 0.00 56.10 55.77 2jpi s TRP 91 Cb -0.18 -2.37 -0.06 0.00 -1.16 0.00 0.00 33.47 29.70 2jpi s TRP 91 CO 0.12 0.30 0.65 -0.65 -4.06 0.00 0.00 176.95 173.31 2jpi s GLN 92 N 0.21 3.71 0.37 3.25 1.11 -1.25 -4.98 119.66 122.09 2jpi s GLN 92 Ca 0.20 0.24 0.16 0.00 0.01 0.00 0.00 55.36 55.96 2jpi s GLN 92 Cb -0.14 -2.53 1.04 0.00 -1.01 0.00 0.00 33.01 30.37 2jpi s GLN 92 CO 0.07 0.11 1.74 -1.35 0.01 0.00 0.00 175.29 175.87 2jpi h PRO 93 N 1.55 0.43 0.00 2.91 0.11 -1.95 -3.41 132.00 131.64 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 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.65 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 2jpi n ALA 94 N -2.41 0.00 -3.77 -0.75 0.00 -1.26 -4.80 120.51 107.52 2jpi n ALA 94 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.69 2jpi n ALA 94 Cb 0.87 -0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.94 0.96 0.00 0.00 2.12 -1.24 -1.45 118.70 118.15 2jpi s GLU 95 Ca 0.00 -0.56 0.31 0.00 0.36 0.00 0.00 54.97 55.07 2jpi s GLU 95 Cb 0.00 0.30 1.65 0.00 0.26 0.00 0.00 34.13 36.35 2jpi s GLU 95 CO 0.00 -0.44 2.09 -1.13 -0.54 0.00 0.00 175.26 175.23