#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 2.86 -0.13 3.17 0.08 -0.44 -4.79 117.98 118.73 2jpi s PHE 2 Ca 0.00 0.56 -0.06 0.00 0.12 0.00 0.00 56.93 57.55 2jpi s PHE 2 Cb 0.00 -3.36 0.06 0.00 -0.57 0.00 0.00 43.02 39.15 2jpi s PHE 2 CO 0.00 -1.63 0.29 0.50 -0.10 0.00 0.00 175.22 174.29 2jpi s ARG 3 N -5.42 0.22 0.34 0.44 6.06 -0.47 -3.48 118.95 116.64 2jpi s ARG 3 Ca 0.62 0.71 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 34.83 2jpi s ARG 3 CO 0.47 -0.22 0.04 0.45 -2.50 0.00 0.00 175.30 173.54 2jpi s SER 4 N 1.93 4.31 -0.11 -2.12 0.15 -1.26 -3.78 113.70 112.83 2jpi s SER 4 Ca -0.04 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 55.63 2jpi s SER 4 Cb -0.11 -0.59 0.05 0.00 -1.71 0.00 0.00 66.02 63.66 2jpi s SER 4 CO -0.10 -0.25 0.23 0.42 1.20 0.00 0.00 173.24 174.75 2jpi s THR 5 N -2.49 -0.19 -0.17 6.45 -4.23 -1.26 -3.53 115.64 110.22 2jpi s THR 5 Ca 0.35 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 2jpi s THR 5 Cb -0.01 -0.38 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 2jpi s THR 5 CO 0.20 0.09 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.80 2jpi s SER 6 N 1.75 4.89 -0.13 3.99 0.15 -0.18 -3.76 113.70 120.40 2jpi s SER 6 Ca -0.05 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 2jpi s SER 6 Cb -0.11 -1.81 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2jpi s SER 6 CO -0.08 0.15 -0.13 -2.28 1.20 0.00 0.00 173.24 172.09 2jpi s HIS 7 N 0.50 2.81 0.03 3.44 2.46 -1.26 -0.92 115.29 122.36 2jpi s HIS 7 Ca -0.02 -0.65 -0.00 0.00 0.47 0.00 0.00 55.06 54.86 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 0.02 -0.21 -0.03 0.08 -2.47 0.00 0.00 174.74 172.14 2jpi s VAL 8 N 0.34 0.15 -0.47 0.89 1.01 -1.02 -4.26 120.40 117.04 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 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.59 2jpi s VAL 8 CO 0.06 -0.67 0.42 -0.13 0.00 0.00 0.00 175.10 174.78 2jpi s ARG 9 N -2.30 3.00 0.14 2.72 3.00 -1.26 -2.27 118.95 121.98 2jpi s ARG 9 Ca -0.08 -1.21 0.05 0.00 0.00 0.00 0.00 55.73 54.50 2jpi s ARG 9 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 2jpi s ARG 9 CO -0.04 -1.01 -0.13 -0.08 0.00 0.00 0.00 175.30 174.05 2jpi s THR 10 N 1.82 1.29 -0.01 0.02 -1.32 -1.06 -4.98 115.64 111.40 2jpi s THR 10 Ca 0.06 -1.86 -0.00 0.00 -1.21 0.00 0.00 61.69 58.68 2jpi s THR 10 Cb -0.22 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.08 -0.55 0.06 -1.61 -2.21 0.00 0.00 174.62 170.40 2jpi s GLU 11 N -3.09 3.00 -1.96 7.08 2.02 -1.26 -2.12 118.70 122.36 2jpi s GLU 11 Ca 0.12 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2jpi s GLU 11 Cb -0.02 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2jpi s GLU 11 CO 0.02 0.65 0.00 0.45 0.02 0.00 0.00 175.26 176.40 2jpi n SER 12 N 1.27 -5.66 -0.04 -0.19 2.88 0.61 -4.89 113.62 107.61 2jpi n SER 12 Ca -0.14 0.24 -0.10 0.00 -1.33 0.00 0.00 58.87 57.55 2jpi n SER 12 Cb 0.53 -4.82 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 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 0.50 -0.31 -0.62 -1.46 0.00 -1.70 -2.25 119.26 113.41 2jpi h ALA 13 Ca -0.45 0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.68 2jpi h ALA 13 Cb 1.35 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2jpi h ALA 13 CO 0.60 -0.78 1.04 0.00 0.00 0.00 0.00 179.25 180.11 2jpi h ALA 14 N 0.52 2.53 0.11 0.00 0.00 -1.50 0.16 119.26 121.09 2jpi h ALA 14 Ca 0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2jpi h ALA 14 Cb 0.54 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jpi h ALA 14 CO -0.41 -1.36 -0.92 -0.09 0.00 0.00 0.00 179.25 176.47 2jpi h ARG 15 N 0.00 0.42 -0.67 0.00 1.12 -1.69 -2.76 114.38 110.79 2jpi h ARG 15 Ca 0.30 -0.60 -0.06 0.00 -1.11 0.00 0.00 59.98 58.50 2jpi h ARG 15 Cb 2.37 0.21 -0.03 0.00 -0.01 0.00 0.00 29.97 32.51 2jpi h ARG 15 CO -0.00 1.26 0.17 1.88 -3.11 0.00 0.00 179.97 180.17 2jpi h TYR 16 N -0.12 1.09 -0.59 2.20 0.05 -0.80 1.00 116.97 119.80 2jpi h TYR 16 Ca -0.15 -0.12 0.03 0.00 0.05 0.00 0.00 58.73 58.55 2jpi h TYR 16 Cb 1.67 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 39.06 2jpi h TYR 16 CO 0.16 0.88 0.35 0.28 -1.05 0.00 0.00 178.16 178.78 2jpi h VAL 17 N 1.00 1.04 -0.03 -2.88 2.07 -1.58 0.85 116.25 116.72 2jpi h VAL 17 Ca 0.21 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 2jpi h VAL 17 Cb 0.34 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2jpi h VAL 17 CO -0.00 0.12 -0.63 0.78 0.02 0.00 0.00 177.57 177.86 2jpi h ASN 18 N 0.68 0.15 1.60 0.57 2.35 -1.05 -3.18 115.58 116.71 2jpi h ASN 18 Ca 0.24 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2jpi h ASN 18 Cb 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2jpi h ASN 18 CO -0.12 0.74 -0.40 -0.09 -1.65 0.00 0.00 177.43 175.91 2jpi h ARG 19 N 0.09 0.00 -0.13 0.81 9.65 0.21 -3.35 114.38 121.67 2jpi h ARG 19 Ca -0.01 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2jpi h ARG 19 Cb 1.13 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2jpi h ARG 19 CO 0.09 0.13 -0.09 -0.07 2.80 0.00 0.00 179.97 182.83 2jpi h LEU 20 N 0.00 0.30 -0.92 3.80 3.38 0.70 -0.09 115.31 122.48 2jpi h LEU 20 Ca -0.01 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.61 2jpi h LEU 20 Cb 1.12 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 2jpi h LEU 20 CO 0.02 0.68 0.56 0.00 0.09 0.00 0.00 178.44 179.79 2jpi h LYS 22 N 0.95 0.00 0.00 0.00 1.57 -1.67 -0.09 116.57 117.33 2jpi h LYS 22 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2jpi h LYS 22 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jpi h LYS 22 CO -0.23 0.03 -0.14 1.25 -0.57 0.00 0.00 179.45 179.80 2jpi h HIS 23 N 0.00 0.00 -0.00 -1.35 2.76 0.14 -3.39 115.15 113.31 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 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2jpi h HIS 23 CO 0.00 0.00 -0.15 0.91 -1.30 0.00 0.00 177.93 177.39 2jpi n TRP 24 N -3.68 0.00 -0.83 5.26 5.03 0.18 -4.52 117.44 118.88 2jpi n TRP 24 Ca -0.02 0.00 -0.30 0.00 3.03 0.00 0.00 57.50 60.21 2jpi n TRP 24 Cb 0.07 -0.39 -0.04 0.00 -1.03 0.00 0.00 31.31 29.92 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jpi n GLY 25 N 1.47 2.68 0.05 6.99 0.00 -0.05 -4.00 105.19 112.33 2jpi n GLY 25 Ca 0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 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 5.77 0.00 -2.17 1.61 -0.00 -1.26 -4.78 115.22 114.38 2jpi n HIS 26 Ca 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 58.11 2jpi n HIS 26 Cb 0.24 -0.50 -0.04 0.00 -0.00 0.00 0.00 29.99 29.69 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 -2.38 0.04 -3.96 1.57 0.00 -1.26 -5.12 118.16 107.05 2jpi n LYS 27 Ca -0.17 -1.33 -0.09 0.00 0.00 0.00 0.00 58.31 56.72 2jpi n LYS 27 Cb 0.83 0.33 -0.11 0.00 0.00 0.00 0.00 35.03 36.08 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 -0.03 0.22 -0.92 5.64 0.40 -1.26 -5.08 117.98 116.96 2jpi s PHE 28 Ca 0.11 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 55.74 2jpi s PHE 28 Cb 0.13 -0.16 -0.01 0.00 0.51 0.00 0.00 43.02 43.49 2jpi s PHE 28 CO -0.05 -0.17 1.74 -1.83 0.70 0.00 0.00 175.22 175.60 2jpi s GLU 29 N -1.29 2.94 -0.31 0.44 1.03 -1.26 -4.76 118.70 115.50 2jpi s GLU 29 Ca -0.14 -0.51 -0.09 0.00 0.03 0.00 0.00 54.97 54.26 2jpi s GLU 29 Cb -0.09 -5.08 -0.00 0.00 -0.80 0.00 0.00 34.13 28.16 2jpi s GLU 29 CO -0.01 -2.88 0.14 0.14 -1.33 0.00 0.00 175.26 171.33 2jpi s VAL 30 N 8.07 4.51 0.27 1.83 -7.23 -1.25 -3.47 120.40 123.12 2jpi s VAL 30 Ca 0.60 -0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2jpi s VAL 30 Cb -0.05 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 2jpi s VAL 30 CO -0.02 0.07 0.47 -0.70 -0.31 0.00 0.00 175.10 174.60 2jpi s GLU 31 N 1.60 3.51 -0.20 4.82 2.12 0.09 -4.92 118.70 125.72 2jpi s GLU 31 Ca 0.04 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 2jpi s GLU 31 Cb -0.17 -2.75 0.06 0.00 0.26 0.00 0.00 34.13 31.53 2jpi s GLU 31 CO 0.06 0.29 0.06 -1.17 -0.54 0.00 0.00 175.26 173.96 2jpi s LEU 32 N -3.78 0.86 0.15 2.70 0.20 -1.26 -2.73 118.68 114.82 2jpi s LEU 32 Ca 0.39 -0.80 0.08 0.00 0.69 0.00 0.00 54.13 54.49 2jpi s LEU 32 Cb -0.10 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 2jpi s LEU 32 CO 0.32 -0.34 -0.18 0.42 -0.29 0.00 0.00 176.35 176.28 2jpi s THR 33 N 1.97 1.74 -0.20 3.68 -4.23 -1.02 -5.02 115.64 112.56 2jpi s THR 33 Ca 0.01 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.66 2jpi s THR 33 Cb -0.17 -1.75 -0.13 0.00 1.34 0.00 0.00 72.50 71.79 2jpi s THR 33 CO -0.11 -0.28 2.24 -2.65 -0.54 0.00 0.00 174.62 173.28 2jpi n PRO 34 N 0.47 1.34 0.00 3.99 -0.02 -1.26 -2.36 135.00 137.17 2jpi n PRO 34 Ca -0.15 -0.76 0.00 0.00 -2.02 0.00 0.00 63.50 60.58 2jpi n PRO 34 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2jpi n PRO 34 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jpi n GLU 35 N 3.03 0.00 -3.69 -0.52 1.02 -1.26 -5.08 120.64 114.13 2jpi n GLU 35 Ca 0.29 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.41 2jpi n GLU 35 Cb 0.44 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.85 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 -0.95 0.89 0.00 3.49 1.70 -0.99 -2.61 118.95 120.47 2jpi s ARG 36 Ca 0.00 -0.48 0.04 0.00 -0.47 0.00 0.00 55.73 54.82 2jpi s ARG 36 Cb 0.00 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 2jpi s ARG 36 CO 0.00 -0.40 -0.09 0.20 -1.08 0.00 0.00 175.30 173.93 2jpi s GLY 37 N -2.92 1.71 -0.24 3.88 0.00 -0.20 -2.44 107.32 107.10 2jpi s GLY 37 Ca 0.13 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.81 2jpi s GLY 37 CO -0.00 -0.90 -0.10 -0.12 0.00 0.00 0.00 173.10 171.97 2jpi s PHE 38 N -0.96 3.11 -0.29 1.90 5.36 -1.11 -1.30 117.98 124.70 2jpi s PHE 38 Ca 0.16 -1.93 0.00 0.00 -0.96 0.00 0.00 56.93 54.21 2jpi s PHE 38 Cb -0.11 -1.98 0.09 0.00 -0.34 0.00 0.00 43.02 40.67 2jpi s PHE 38 CO 0.06 -0.82 0.04 0.42 -1.46 0.00 0.00 175.22 173.47 2jpi s ILE 39 N 1.22 1.31 -0.00 3.12 1.01 -0.48 -0.74 121.20 126.63 2jpi s ILE 39 Ca -0.03 -1.47 0.08 0.00 0.00 0.00 0.00 60.65 59.22 2jpi s ILE 39 Cb -0.18 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2jpi s ILE 39 CO -0.06 -0.47 -0.24 1.51 0.00 0.00 0.00 174.94 175.68 2jpi s ASP 40 N 1.43 3.27 0.00 3.58 -4.77 -1.23 -0.20 116.67 118.76 2jpi s ASP 40 Ca 0.05 -0.46 0.28 0.00 -3.30 0.00 0.00 52.55 49.11 2jpi s ASP 40 Cb -0.18 -0.42 0.98 0.00 -1.09 0.00 0.00 42.92 42.21 2jpi s ASP 40 CO -0.15 0.30 1.71 0.33 0.70 0.00 0.00 175.17 178.07 2jpi n PHE 41 N 2.17 0.00 0.00 2.11 -0.00 -1.06 -4.12 117.46 116.56 2jpi n PHE 41 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 2jpi n PHE 41 Cb 0.51 -0.22 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 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 1.36 1.11 0.19 7.13 0.00 -1.26 -4.80 105.19 108.93 2jpi n GLY 42 Ca 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 45.74 2jpi n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jpi h ASP 43 N 0.00 0.00 -1.66 1.61 1.82 -1.95 -3.43 116.42 112.81 2jpi h ASP 43 Ca 0.00 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.17 2jpi h ASP 43 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2jpi h ASP 43 CO 0.00 0.34 -0.38 -0.94 -1.61 0.00 0.00 179.24 176.65 2jpi s SER 44 N -6.88 5.36 0.24 2.28 1.04 -1.26 -4.40 113.70 110.08 2jpi s SER 44 Ca -0.03 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.73 2jpi s SER 44 Cb 0.14 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2jpi s SER 44 CO 0.71 -0.54 0.52 0.20 0.98 0.00 0.00 173.24 175.12 2jpi s ASN 45 N -4.12 -0.14 -0.28 7.02 -0.87 0.33 -2.57 114.94 114.31 2jpi s ASN 45 Ca 0.46 -0.80 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 2jpi s ASN 45 Cb -0.06 0.60 0.15 0.00 -0.02 0.00 0.00 41.25 41.92 2jpi s ASN 45 CO 0.29 -1.15 0.38 0.00 -2.57 0.00 0.00 177.10 174.04 2jpi s GLU 47 N 2.51 3.43 -0.06 0.00 2.12 -0.15 -1.39 118.70 125.17 2jpi s GLU 47 Ca 0.10 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 2jpi s GLU 47 Cb -0.13 -2.97 0.04 0.00 0.26 0.00 0.00 34.13 31.33 2jpi s GLU 47 CO -0.27 0.52 0.12 -1.17 -0.54 0.00 0.00 175.26 173.92 2jpi s LEU 48 N -3.21 0.13 -0.12 2.70 2.96 -0.42 -2.60 118.68 118.12 2jpi s LEU 48 Ca 0.34 0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.33 2jpi s LEU 48 Cb -0.11 0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.65 2jpi s LEU 48 CO 0.28 -0.23 0.35 -0.22 -1.32 0.00 0.00 176.35 175.21 2jpi s LEU 49 N 2.09 4.30 -0.16 -0.68 2.96 0.31 -1.03 118.68 126.46 2jpi s LEU 49 Ca 0.02 0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 54.55 2jpi s LEU 49 Cb -0.12 -2.47 0.07 0.00 0.50 0.00 0.00 46.19 44.17 2jpi s LEU 49 CO -0.05 0.13 0.20 0.00 -1.32 0.00 0.00 176.35 175.31 2jpi s ALA 50 N 0.18 -0.21 0.32 5.97 0.00 -1.07 0.97 121.76 127.91 2jpi s ALA 50 Ca 0.20 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.61 2jpi s ALA 50 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2jpi s ALA 50 CO 0.07 -0.97 0.09 -1.58 0.00 0.00 0.00 175.76 173.37 2jpi s HIS 51 N 2.31 2.69 0.64 0.00 2.46 0.29 -2.33 115.29 121.35 2jpi s HIS 51 Ca 0.05 -0.34 0.13 0.00 0.47 0.00 0.00 55.06 55.37 2jpi s HIS 51 Cb -0.14 -1.49 0.73 0.00 -0.13 0.00 0.00 32.58 31.54 2jpi s HIS 51 CO -0.10 0.44 1.40 -1.35 -2.47 0.00 0.00 174.74 172.66 2jpi h PRO 52 N 1.67 0.00 0.00 2.88 0.11 -1.91 -2.46 132.00 132.29 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 -2.64 0.00 -3.91 -2.05 8.00 -1.21 -0.28 116.55 114.46 2jpi n ASP 53 Ca -0.01 -0.98 -0.09 0.00 0.71 0.00 0.00 54.79 54.42 2jpi n ASP 53 Cb 0.71 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.19 -0.00 1.24 -3.43 -0.90 -2.55 115.29 109.83 2jpi s HIS 54 Ca 0.00 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 2jpi s HIS 54 Cb 0.00 -0.12 0.01 0.00 -1.43 0.00 0.00 32.58 31.04 2jpi s HIS 54 CO 0.00 -0.42 0.01 0.54 -2.00 0.00 0.00 174.74 172.86 2jpi s VAL 55 N -3.03 -0.01 0.03 -5.38 0.11 -0.96 0.10 120.40 111.27 2jpi s VAL 55 Ca -0.01 0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 2jpi s VAL 55 Cb 0.01 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.81 2jpi s VAL 55 CO -0.06 0.02 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.71 2jpi s LEU 56 N 0.22 2.20 -0.21 2.54 1.43 0.27 -2.43 118.68 122.71 2jpi s LEU 56 Ca -0.02 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2jpi s LEU 56 Cb -0.03 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2jpi s LEU 56 CO -0.01 0.27 -0.09 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.15 1.91 -0.03 1.70 -1.94 -0.10 0.12 119.30 119.80 2jpi s MET 57 Ca 0.12 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.28 2jpi s MET 57 Cb -0.10 -2.44 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 2jpi s MET 57 CO 0.02 -0.47 -0.19 0.42 -0.01 0.00 0.00 175.02 174.79 2jpi s ILE 58 N 1.40 1.56 0.07 2.53 1.01 -1.07 -1.02 121.20 125.68 2jpi s ILE 58 Ca -0.02 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.90 2jpi s ILE 58 Cb -0.17 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2jpi s ILE 58 CO -0.08 0.44 -0.24 -1.48 0.00 0.00 0.00 174.94 173.59 2jpi s LEU 59 N -0.20 2.22 -0.31 2.97 -0.00 -1.23 -0.98 118.68 121.14 2jpi s LEU 59 Ca 0.01 -0.61 0.03 0.00 -0.00 0.00 0.00 54.13 53.56 2jpi s LEU 59 Cb -0.10 -1.11 0.09 0.00 -0.00 0.00 0.00 46.19 45.07 2jpi s LEU 59 CO 0.01 0.18 0.02 0.21 -0.00 0.00 0.00 176.35 176.77 2jpi s ASN 60 N -1.48 4.57 -0.08 1.48 3.84 -1.09 -4.15 114.94 118.02 2jpi s ASN 60 Ca 0.10 -1.89 -0.05 0.00 0.21 0.00 0.00 52.86 51.23 2jpi s ASN 60 Cb -0.10 -1.51 0.03 0.00 -0.55 0.00 0.00 41.25 39.13 2jpi s ASN 60 CO 0.03 -0.34 0.19 -0.44 -2.79 0.00 0.00 177.10 173.76 2jpi s SER 61 N 1.04 -0.19 0.00 -4.21 0.01 -1.23 0.12 113.70 109.25 2jpi s SER 61 Ca 0.06 0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.80 2jpi s SER 61 Cb -0.19 0.33 0.36 0.00 0.21 0.00 0.00 66.02 66.73 2jpi s SER 61 CO -0.09 -0.13 1.22 -0.81 0.41 0.00 0.00 173.24 173.85 2jpi n PRO 62 N 3.80 0.03 -3.90 12.44 -0.04 -1.26 -1.33 135.00 144.74 2jpi n PRO 62 Ca -0.21 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2jpi n PRO 62 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.89 0.06 0.21 3.54 2.15 -1.26 -4.27 116.67 114.22 2jpi s ASP 63 Ca 0.05 -0.20 -0.09 0.00 0.43 0.00 0.00 52.55 52.74 2jpi s ASP 63 Cb 0.05 0.17 0.20 0.00 -0.30 0.00 0.00 42.92 43.04 2jpi s ASP 63 CO 0.14 -0.26 1.86 -0.33 -0.17 0.00 0.00 175.17 176.41 2jpi h GLU 64 N 4.82 0.93 -0.41 4.34 3.07 -1.97 0.86 114.58 126.22 2jpi h GLU 64 Ca -0.30 -0.06 0.08 0.00 -0.50 0.00 0.00 59.36 58.59 2jpi h GLU 64 Cb 1.20 -0.21 -0.09 0.00 -0.84 0.00 0.00 28.75 28.81 2jpi h GLU 64 CO 0.42 0.61 -0.32 0.22 -1.40 0.00 0.00 179.01 178.54 2jpi h ASP 65 N 0.95 -1.07 0.67 1.42 1.82 -1.97 1.24 116.42 119.48 2jpi h ASP 65 Ca 0.29 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 57.09 2jpi h ASP 65 Cb -0.02 0.51 0.01 0.00 0.68 0.00 0.00 39.33 40.50 2jpi h ASP 65 CO -0.10 -0.32 -0.32 0.28 -1.61 0.00 0.00 179.24 177.18 2jpi h SER 66 N -0.24 -0.76 -0.98 2.28 0.02 -1.82 -0.13 113.55 111.92 2jpi h SER 66 Ca 0.18 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 2jpi h SER 66 Cb 0.53 0.20 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.55 -0.49 -0.58 -0.11 -1.14 0.00 0.00 176.83 173.96 2jpi n LEU 67 N -5.45 -1.04 0.00 5.07 0.00 0.29 0.55 117.00 116.44 2jpi n LEU 67 Ca -0.13 1.75 -0.02 0.00 0.00 0.00 0.00 56.01 57.60 2jpi n LEU 67 Cb 0.37 -0.23 0.25 0.00 0.00 0.00 0.00 43.42 43.81 2jpi n LEU 67 CO 0.37 -1.42 0.84 0.00 0.00 0.00 0.00 177.39 177.17 2jpi h ALA 68 N 0.50 1.23 -0.80 1.96 0.00 0.15 -1.19 119.26 121.11 2jpi h ALA 68 Ca 0.16 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2jpi h ALA 68 Cb 0.40 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2jpi h ALA 68 CO -0.92 0.50 0.52 1.25 0.00 0.00 0.00 179.25 180.60 2jpi h HIS 69 N 0.47 0.81 0.01 0.00 -0.00 0.21 0.21 115.15 116.86 2jpi h HIS 69 Ca 0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 2jpi h HIS 69 Cb 0.50 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2jpi h HIS 69 CO 0.02 0.39 -0.00 0.52 -0.00 0.00 0.00 177.93 178.85 2jpi h MET 70 N 0.77 -0.01 -0.46 5.26 2.86 -0.07 -2.53 114.93 120.75 2jpi h MET 70 Ca 0.36 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.13 2jpi h MET 70 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2jpi h MET 70 CO -0.14 0.21 0.34 -0.56 1.06 0.00 0.00 176.91 177.83 2jpi h GLN 71 N -1.00 0.00 0.20 1.72 3.07 -1.12 -1.78 115.11 116.20 2jpi h GLN 71 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.47 2jpi h GLN 71 Cb 0.22 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.81 2jpi h GLN 71 CO 0.00 0.00 -1.22 -0.97 0.09 0.00 0.00 178.83 176.73 2jpi h ASN 72 N 0.00 0.65 -0.88 0.06 -0.73 -0.70 -3.18 115.58 110.80 2jpi h ASN 72 Ca 0.22 -0.93 0.23 0.00 1.87 0.00 0.00 56.30 57.69 2jpi h ASN 72 Cb 0.90 -0.21 -0.13 0.00 0.27 0.00 0.00 38.32 39.15 2jpi h ASN 72 CO -0.00 1.58 0.31 0.58 -0.37 0.00 0.00 177.43 179.53 2jpi h VAL 73 N -0.10 0.38 -0.14 2.57 2.07 -0.86 0.25 116.25 120.41 2jpi h VAL 73 Ca -0.22 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2jpi h VAL 73 Cb 1.92 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2jpi h VAL 73 CO 0.20 0.05 -0.14 0.58 0.02 0.00 0.00 177.57 178.29 2jpi h VAL 74 N 0.28 1.35 -0.93 2.57 2.07 -1.63 -2.86 116.25 117.11 2jpi h VAL 74 Ca 0.56 -1.29 0.27 0.00 0.82 0.00 0.00 66.70 67.05 2jpi h VAL 74 Cb 1.11 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 2jpi h VAL 74 CO -0.60 0.38 0.83 0.00 0.02 0.00 0.00 177.57 178.20 2jpi h ALA 75 N 0.60 2.78 0.09 1.67 0.00 -0.94 0.83 119.26 124.29 2jpi h ALA 75 Ca 0.02 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2jpi h ALA 75 Cb 0.66 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.55 2jpi h ALA 75 CO 0.03 -1.31 -1.11 0.22 0.00 0.00 0.00 179.25 177.09 2jpi h ASP 76 N 0.00 0.82 -0.72 0.00 1.82 -1.17 -3.24 116.42 113.94 2jpi h ASP 76 Ca 0.44 -0.81 -0.02 0.00 -0.39 0.00 0.00 57.03 56.25 2jpi h ASP 76 Cb 2.10 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 41.82 2jpi h ASP 76 CO -0.00 1.54 0.38 0.45 -1.61 0.00 0.00 179.24 180.00 2jpi h HIS 77 N 0.20 1.00 0.00 0.28 3.86 0.77 -1.80 115.15 119.47 2jpi h HIS 77 Ca -0.16 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 2jpi h HIS 77 Cb 1.79 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.94 2jpi h HIS 77 CO 0.12 0.72 -0.10 -0.07 0.86 0.00 0.00 177.93 179.46 2jpi h LEU 78 N 0.99 0.00 0.15 2.43 3.38 -1.46 -2.72 115.31 118.09 2jpi h LEU 78 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2jpi h LEU 78 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jpi h LEU 78 CO -0.04 0.10 -0.07 1.56 0.09 0.00 0.00 178.44 180.07 2jpi h GLN 79 N 0.00 -0.20 -0.93 1.13 4.20 -1.36 -2.22 115.11 115.73 2jpi h GLN 79 Ca -0.00 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.91 2jpi h GLN 79 Cb 0.22 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.97 2jpi h GLN 79 CO 0.01 0.24 0.60 -0.09 -0.67 0.00 0.00 178.83 178.92 2jpi h ARG 80 N -0.82 0.56 0.00 1.46 2.43 -1.26 0.32 114.38 117.06 2jpi h ARG 80 Ca -0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jpi h ARG 80 Cb 0.53 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2jpi h ARG 80 CO 0.03 0.37 -0.18 0.00 -1.51 0.00 0.00 179.97 178.68 2jpi n MET 81 N -4.58 0.20 -3.73 0.20 0.00 -1.04 -4.62 117.12 103.53 2jpi n MET 81 Ca 0.20 0.13 -0.29 0.00 0.00 0.00 0.00 57.70 57.73 2jpi n MET 81 Cb 0.60 -1.69 -0.15 0.00 0.00 0.00 0.00 33.22 31.98 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 -3.09 1.33 -0.40 3.17 0.00 0.11 -5.09 121.76 117.78 2jpi s ALA 82 Ca 0.10 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 2jpi s ALA 82 Cb 0.14 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2jpi s ALA 82 CO 0.62 -1.48 0.40 -0.80 0.00 0.00 0.00 175.76 174.50 2jpi s ASN 83 N 1.72 6.18 0.00 0.00 0.01 -1.24 -4.51 114.94 117.09 2jpi s ASN 83 Ca 0.05 -0.63 0.00 0.00 -0.71 0.00 0.00 52.86 51.58 2jpi s ASN 83 Cb -0.17 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.28 2jpi s ASN 83 CO -0.19 -0.52 0.00 -0.24 -1.51 0.00 0.00 177.10 174.64 2jpi n SER 84 N 5.49 0.00 -3.76 -1.22 2.88 -1.26 -5.16 113.62 110.60 2jpi n SER 84 Ca -0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 2jpi n SER 84 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 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 1.52 -0.96 -1.46 1.03 -1.26 -5.05 118.70 112.53 2jpi s GLU 85 Ca 0.00 -0.89 -0.20 0.00 0.03 0.00 0.00 54.97 53.91 2jpi s GLU 85 Cb 0.00 0.56 -0.11 0.00 -0.80 0.00 0.00 34.13 33.78 2jpi s GLU 85 CO 0.00 -0.67 1.99 0.43 -1.33 0.00 0.00 175.26 175.68 2jpi n SER 86 N -0.39 2.90 -0.13 0.83 7.64 -1.26 -4.74 113.62 118.46 2jpi n SER 86 Ca -0.08 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.08 2jpi n SER 86 Cb 0.62 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 7.57 -0.11 -4.55 -3.43 7.99 -1.26 -4.62 117.00 118.58 2jpi n LEU 87 Ca 0.50 0.05 -0.37 0.00 -0.01 0.00 0.00 56.01 56.18 2jpi n LEU 87 Cb 0.41 -0.08 -0.03 0.00 -0.11 0.00 0.00 43.42 43.60 2jpi n LEU 87 CO 0.99 -0.11 1.54 -0.70 -1.51 0.00 0.00 177.39 177.59 2jpi s GLU 88 N 0.00 2.65 -0.06 3.23 2.12 -1.26 -4.92 118.70 120.47 2jpi s GLU 88 Ca 0.00 0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.74 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 -2.80 -0.07 0.96 -0.54 0.00 0.00 175.26 172.81 2jpi s ILE 89 N 9.02 0.74 -0.41 -3.70 -0.00 -1.26 -4.81 121.20 120.78 2jpi s ILE 89 Ca 0.66 -0.23 -0.16 0.00 -0.00 0.00 0.00 60.65 60.92 2jpi s ILE 89 Cb -0.11 -0.73 0.02 0.00 -0.00 0.00 0.00 42.46 41.63 2jpi s ILE 89 CO 0.16 0.27 0.39 0.00 -0.00 0.00 0.00 174.94 175.77 2jpi s ALA 90 N 0.94 3.45 -0.07 2.27 0.00 -1.26 -5.02 121.76 122.07 2jpi s ALA 90 Ca -0.10 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 2jpi s ALA 90 Cb -0.15 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2jpi s ALA 90 CO 0.00 -1.49 0.45 1.67 0.00 0.00 0.00 175.76 176.39 2jpi s TRP 91 N 1.99 3.59 0.34 0.00 1.48 -1.26 -3.99 118.94 121.09 2jpi s TRP 91 Ca 0.10 0.93 -0.08 0.00 -1.06 0.00 0.00 56.10 55.99 2jpi s TRP 91 Cb -0.18 -2.46 -0.06 0.00 -1.16 0.00 0.00 33.47 29.62 2jpi s TRP 91 CO 0.12 0.34 0.65 -0.65 -4.06 0.00 0.00 176.95 173.36 2jpi s GLN 92 N -0.01 3.71 0.34 3.25 -0.21 -1.25 -4.98 119.66 120.52 2jpi s GLN 92 Ca 0.25 0.24 0.11 0.00 0.02 0.00 0.00 55.36 55.97 2jpi s GLN 92 Cb -0.16 -2.53 0.90 0.00 1.00 0.00 0.00 33.01 32.23 2jpi s GLN 92 CO 0.11 0.10 1.76 -1.35 -2.12 0.00 0.00 175.29 173.79 2jpi h PRO 93 N 1.53 0.57 0.00 2.91 0.11 -1.95 -3.42 132.00 131.75 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 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jpi h PRO 93 CO 0.65 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 2jpi n ALA 94 N -2.36 0.00 -0.98 -0.75 0.00 -1.26 -4.82 120.51 110.35 2jpi n ALA 94 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2jpi n ALA 94 Cb 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.41 0.00 0.00 0.00 2.13 -1.25 -1.37 120.64 118.74 2jpi n GLU 95 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jpi n GLU 95 Cb 0.07 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.78 2jpi n GLU 95 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17