#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpi s PHE 2 N 0.00 2.74 -0.14 3.17 0.08 -0.62 -4.90 117.98 118.30 2jpi s PHE 2 Ca 0.00 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 2jpi s PHE 2 Cb 0.00 -2.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.09 2jpi s PHE 2 CO 0.00 -0.52 0.31 0.50 -0.10 0.00 0.00 175.22 175.41 2jpi s ARG 3 N -4.42 0.24 0.34 0.44 6.06 -0.67 -3.49 118.95 117.44 2jpi s ARG 3 Ca 0.56 0.73 0.09 0.00 -2.50 0.00 0.00 55.73 54.60 2jpi s ARG 3 Cb -0.10 -0.01 -0.05 0.00 0.06 0.00 0.00 34.95 34.85 2jpi s ARG 3 CO 0.34 -0.22 0.03 0.45 -2.50 0.00 0.00 175.30 173.40 2jpi s SER 4 N 1.88 4.25 -0.10 -2.12 0.15 -1.26 -3.59 113.70 112.91 2jpi s SER 4 Ca -0.05 -0.95 -0.05 0.00 0.70 0.00 0.00 55.95 55.60 2jpi s SER 4 Cb -0.11 -0.56 0.05 0.00 -1.71 0.00 0.00 66.02 63.69 2jpi s SER 4 CO -0.10 -0.24 0.23 0.42 1.20 0.00 0.00 173.24 174.75 2jpi s THR 5 N -2.50 -0.17 -0.16 6.45 -4.23 -1.26 -3.51 115.64 110.26 2jpi s THR 5 Ca 0.35 0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2jpi s THR 5 Cb -0.01 -0.37 -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 0.00 174.62 173.79 2jpi s SER 6 N 1.70 4.91 -0.13 3.99 0.15 -0.17 -3.72 113.70 120.43 2jpi s SER 6 Ca -0.05 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2jpi s SER 6 Cb -0.11 -1.81 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2jpi s SER 6 CO -0.08 0.17 -0.14 -2.28 1.20 0.00 0.00 173.24 172.11 2jpi s HIS 7 N 0.37 2.78 0.03 3.44 2.46 -1.25 -0.94 115.29 122.17 2jpi s HIS 7 Ca -0.03 -0.69 -0.01 0.00 0.47 0.00 0.00 55.06 54.81 2jpi s HIS 7 Cb -0.14 -1.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.46 2jpi s HIS 7 CO 0.03 -0.23 -0.02 0.08 -2.47 0.00 0.00 174.74 172.12 2jpi s VAL 8 N 0.33 0.15 -0.46 0.89 1.01 -1.00 -4.23 120.40 117.08 2jpi s VAL 8 Ca -0.12 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2jpi s VAL 8 Cb -0.16 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.58 2jpi s VAL 8 CO 0.06 -0.67 0.39 -0.13 0.00 0.00 0.00 175.10 174.75 2jpi s ARG 9 N -2.31 2.98 0.14 2.72 3.00 -1.26 -2.26 118.95 121.96 2jpi s ARG 9 Ca -0.08 -1.27 0.05 0.00 0.00 0.00 0.00 55.73 54.43 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 -0.98 -0.13 -0.08 0.00 0.00 0.00 175.30 174.07 2jpi s THR 10 N 1.68 1.29 -0.00 0.02 -1.32 -1.09 -4.98 115.64 111.25 2jpi s THR 10 Ca 0.05 -1.86 0.00 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 -0.54 0.06 -1.61 -2.21 0.00 0.00 174.62 170.39 2jpi s GLU 11 N -3.09 3.00 -1.88 7.08 2.02 -1.26 -2.07 118.70 122.50 2jpi s GLU 11 Ca 0.12 -0.52 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 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.40 2jpi n SER 12 N 1.23 -5.63 -0.06 -0.19 2.88 0.56 -4.89 113.62 107.52 2jpi n SER 12 Ca -0.13 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2jpi n SER 12 Cb 0.53 -4.79 -0.01 0.00 -0.75 0.00 0.00 64.21 59.18 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 0.68 -0.06 -1.00 -1.46 0.00 -1.70 -2.54 119.26 113.18 2jpi h ALA 13 Ca -0.46 0.09 0.29 0.00 0.00 0.00 0.00 54.91 54.83 2jpi h ALA 13 Cb 1.35 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2jpi h ALA 13 CO 0.58 -0.63 1.13 0.00 0.00 0.00 0.00 179.25 180.33 2jpi h ALA 14 N 0.90 2.91 0.22 0.00 0.00 -1.53 0.49 119.26 122.25 2jpi h ALA 14 Ca 0.15 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.70 2jpi h ALA 14 Cb 0.43 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jpi h ALA 14 CO -0.39 -1.65 -1.47 -0.09 0.00 0.00 0.00 179.25 175.66 2jpi h ARG 15 N 0.00 0.46 0.00 0.00 1.12 -1.75 -2.74 114.38 111.47 2jpi h ARG 15 Ca 0.48 -0.78 -0.03 0.00 -1.11 0.00 0.00 59.98 58.54 2jpi h ARG 15 Cb 2.73 0.29 -0.00 0.00 -0.01 0.00 0.00 29.97 32.98 2jpi h ARG 15 CO -0.01 1.37 -0.13 1.88 -3.11 0.00 0.00 179.97 179.98 2jpi h TYR 16 N 0.13 0.00 0.07 2.20 0.05 -0.14 0.21 116.97 119.49 2jpi h TYR 16 Ca -0.24 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.41 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 0.13 -0.55 0.28 -1.05 0.00 0.00 178.16 177.07 2jpi h VAL 17 N 0.00 1.56 0.00 -2.88 2.07 -1.51 -3.08 116.25 112.41 2jpi h VAL 17 Ca -0.00 -2.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 2jpi h VAL 17 Cb 0.43 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2jpi h VAL 17 CO 0.02 0.66 -0.35 0.78 0.02 0.00 0.00 177.57 178.70 2jpi h ASN 18 N -0.46 0.00 1.63 0.57 4.21 -1.16 -2.77 115.58 117.60 2jpi h ASN 18 Ca -0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.42 2jpi h ASN 18 Cb 1.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 2jpi h ASN 18 CO 0.11 0.35 0.00 -0.09 -1.29 0.00 0.00 177.43 176.50 2jpi h ARG 19 N 0.00 0.00 -0.10 0.81 9.65 -0.65 -3.31 114.38 120.78 2jpi h ARG 19 Ca -0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 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 -0.15 -0.07 2.80 0.00 0.00 179.97 182.59 2jpi h LEU 20 N 0.00 0.30 -1.22 3.80 3.38 -1.40 -1.01 115.31 119.16 2jpi h LEU 20 Ca 0.00 -0.54 0.13 0.00 0.09 0.00 0.00 57.88 57.57 2jpi h LEU 20 Cb 0.82 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 2jpi h LEU 20 CO 0.00 0.78 0.58 0.00 0.09 0.00 0.00 178.44 179.89 2jpi h LYS 22 N 0.77 0.00 0.00 0.00 1.57 -1.68 -1.20 116.57 116.04 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2jpi h LYS 22 CO -0.21 0.02 -0.19 1.25 -0.57 0.00 0.00 179.45 179.75 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 1.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2jpi h HIS 23 CO 0.00 0.00 -0.43 0.91 -1.30 0.00 0.00 177.93 177.11 2jpi n TRP 24 N -4.24 0.00 -0.85 5.26 8.01 0.11 -4.60 117.44 121.12 2jpi n TRP 24 Ca -0.03 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.87 2jpi n TRP 24 Cb 0.10 -0.19 -0.03 0.00 -2.01 0.00 0.00 31.31 29.17 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2jpi n GLY 25 N 1.44 2.75 0.05 6.99 0.00 -0.45 -3.99 105.19 111.98 2jpi n GLY 25 Ca 0.08 -0.96 -0.04 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 5.65 0.00 -2.09 1.61 -0.00 -1.26 -4.79 115.22 114.35 2jpi n HIS 26 Ca 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.15 2jpi n HIS 26 Cb 0.24 -0.46 -0.01 0.00 -0.00 0.00 0.00 29.99 29.76 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 -2.34 0.00 -4.03 1.57 0.00 -1.26 -5.12 118.16 106.99 2jpi n LYS 27 Ca -0.15 -0.83 -0.08 0.00 0.00 0.00 0.00 58.31 57.25 2jpi n LYS 27 Cb 0.80 0.01 -0.10 0.00 0.00 0.00 0.00 35.03 35.73 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 0.37 -0.71 5.64 0.08 -1.26 -5.09 117.98 117.01 2jpi s PHE 28 Ca 0.06 -0.77 -0.27 0.00 0.12 0.00 0.00 56.93 56.07 2jpi s PHE 28 Cb 0.07 -0.28 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 2jpi s PHE 28 CO -0.03 -0.28 1.52 -1.83 -0.10 0.00 0.00 175.22 174.50 2jpi s GLU 29 N -2.62 2.98 -0.26 0.44 1.03 -1.26 -4.73 118.70 114.29 2jpi s GLU 29 Ca -0.05 0.04 -0.04 0.00 0.03 0.00 0.00 54.97 54.95 2jpi s GLU 29 Cb -0.02 -4.32 0.01 0.00 -0.80 0.00 0.00 34.13 29.00 2jpi s GLU 29 CO -0.05 -2.40 -0.01 0.14 -1.33 0.00 0.00 175.26 171.61 2jpi s VAL 30 N 7.07 3.36 0.33 1.83 -7.23 -1.25 -3.29 120.40 121.21 2jpi s VAL 30 Ca 0.48 -0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 2jpi s VAL 30 Cb -0.09 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2jpi s VAL 30 CO 0.16 0.22 0.57 -0.70 -0.31 0.00 0.00 175.10 175.04 2jpi s GLU 31 N 1.42 3.56 -0.19 4.82 2.12 0.14 -4.92 118.70 125.66 2jpi s GLU 31 Ca 0.02 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.19 2jpi s GLU 31 Cb -0.16 -2.64 0.07 0.00 0.26 0.00 0.00 34.13 31.66 2jpi s GLU 31 CO -0.02 0.16 0.10 -1.17 -0.54 0.00 0.00 175.26 173.79 2jpi s LEU 32 N -3.94 0.34 0.16 2.70 0.20 -1.26 -2.98 118.68 113.89 2jpi s LEU 32 Ca 0.42 -0.67 0.07 0.00 0.69 0.00 0.00 54.13 54.64 2jpi s LEU 32 Cb -0.10 -0.22 -0.04 0.00 -0.43 0.00 0.00 46.19 45.40 2jpi s LEU 32 CO 0.34 -0.36 -0.15 0.42 -0.29 0.00 0.00 176.35 176.31 2jpi s THR 33 N 2.15 1.54 0.00 3.68 -4.23 -1.12 -5.02 115.64 112.65 2jpi s THR 33 Ca 0.03 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2jpi s THR 33 Cb -0.16 -1.80 -0.18 0.00 1.34 0.00 0.00 72.50 71.71 2jpi s THR 33 CO -0.13 -0.49 2.58 -0.81 -0.54 0.00 0.00 174.62 175.23 2jpi n PRO 34 N 0.11 1.33 0.00 3.99 -0.04 -1.26 -2.66 135.00 136.47 2jpi n PRO 34 Ca -0.12 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 2jpi n PRO 34 Cb 0.58 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.61 0.00 -3.69 0.54 -0.58 -1.26 -5.05 120.64 113.20 2jpi n GLU 35 Ca 0.28 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.00 2jpi n GLU 35 Cb 0.61 -0.04 -0.01 0.00 -0.57 0.00 0.00 31.44 31.43 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 0.03 3.49 3.03 -1.09 -2.03 118.95 122.24 2jpi s ARG 36 Ca 0.00 -0.46 0.04 0.00 2.03 0.00 0.00 55.73 57.34 2jpi s ARG 36 Cb 0.00 0.29 -0.04 0.00 -1.03 0.00 0.00 34.95 34.18 2jpi s ARG 36 CO 0.00 -0.39 -0.07 0.20 -1.13 0.00 0.00 175.30 173.92 2jpi s GLY 37 N -2.93 1.78 -0.19 3.88 0.00 -0.35 -2.77 107.32 106.75 2jpi s GLY 37 Ca 0.13 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.78 2jpi s GLY 37 CO -0.01 -0.98 -0.11 -0.12 0.00 0.00 0.00 173.10 171.88 2jpi s PHE 38 N -1.08 2.33 -0.29 1.90 5.36 -1.16 -1.75 117.98 123.29 2jpi s PHE 38 Ca 0.19 -1.48 0.00 0.00 -0.96 0.00 0.00 56.93 54.68 2jpi s PHE 38 Cb -0.11 -1.61 0.09 0.00 -0.34 0.00 0.00 43.02 41.04 2jpi s PHE 38 CO 0.10 -0.72 0.05 0.42 -1.46 0.00 0.00 175.22 173.61 2jpi s ILE 39 N 1.43 1.25 -0.14 3.12 1.01 -0.97 -0.68 121.20 126.22 2jpi s ILE 39 Ca 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.17 2jpi s ILE 39 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2jpi s ILE 39 CO -0.09 -0.49 -0.03 1.51 0.00 0.00 0.00 174.94 175.85 2jpi s ASP 40 N 1.46 4.91 -0.03 3.58 -4.77 -1.21 -0.84 116.67 119.77 2jpi s ASP 40 Ca 0.06 -0.06 0.20 0.00 -3.30 0.00 0.00 52.55 49.45 2jpi s ASP 40 Cb -0.18 -1.67 0.62 0.00 -1.09 0.00 0.00 42.92 40.59 2jpi s ASP 40 CO -0.16 0.23 1.51 0.49 0.70 0.00 0.00 175.17 177.94 2jpi n PHE 41 N 3.15 1.02 0.00 2.11 3.01 -0.80 -4.26 117.46 121.70 2jpi n PHE 41 Ca -0.18 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.81 2jpi n PHE 41 Cb 0.53 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpi n GLY 42 N 1.46 1.20 2.37 1.37 0.00 -1.26 -4.71 105.19 105.62 2jpi n GLY 42 Ca 0.23 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 0.90 6.65 0.00 1.61 -0.08 -1.26 -4.79 116.55 119.58 2jpi n ASP 43 Ca 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.28 2jpi n ASP 43 Cb 0.00 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.14 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jpi n SER 44 N 1.56 0.00 -3.88 1.67 3.41 -1.26 -4.42 113.62 110.70 2jpi n SER 44 Ca 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 2jpi n SER 44 Cb 0.55 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.14 -0.27 4.04 0.01 0.35 -1.90 114.94 117.03 2jpi s ASN 45 Ca 0.00 -0.72 -0.00 0.00 -0.71 0.00 0.00 52.86 51.43 2jpi s ASN 45 Cb 0.00 0.56 0.14 0.00 0.41 0.00 0.00 41.25 42.36 2jpi s ASN 45 CO 0.00 -1.06 0.34 0.00 -1.51 0.00 0.00 177.10 174.87 2jpi s GLU 47 N 2.45 3.35 -0.08 0.00 2.12 -0.21 -2.30 118.70 124.03 2jpi s GLU 47 Ca 0.10 -0.63 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 2jpi s GLU 47 Cb -0.14 -2.92 0.05 0.00 0.26 0.00 0.00 34.13 31.38 2jpi s GLU 47 CO -0.27 0.52 0.15 -1.17 -0.54 0.00 0.00 175.26 173.95 2jpi s LEU 48 N -3.15 -0.04 -0.11 2.70 2.96 -0.72 -2.67 118.68 117.64 2jpi s LEU 48 Ca 0.34 0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 54.35 2jpi s LEU 48 Cb -0.11 0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.75 2jpi s LEU 48 CO 0.28 -0.25 0.41 -0.22 -1.32 0.00 0.00 176.35 175.25 2jpi s LEU 49 N 2.28 4.29 -0.15 -0.68 2.96 0.31 -1.21 118.68 126.48 2jpi s LEU 49 Ca 0.03 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 54.65 2jpi s LEU 49 Cb -0.12 -2.58 0.07 0.00 0.50 0.00 0.00 46.19 44.06 2jpi s LEU 49 CO -0.06 0.08 0.19 0.00 -1.32 0.00 0.00 176.35 175.23 2jpi s ALA 50 N 0.34 -0.16 0.34 5.97 0.00 -0.86 0.10 121.76 127.49 2jpi s ALA 50 Ca 0.23 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.60 2jpi s ALA 50 Cb -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2jpi s ALA 50 CO 0.09 -0.95 0.11 -1.58 0.00 0.00 0.00 175.76 173.42 2jpi s HIS 51 N 2.30 2.67 0.64 0.00 2.46 0.26 -2.52 115.29 121.09 2jpi s HIS 51 Ca 0.05 -0.39 0.15 0.00 0.47 0.00 0.00 55.06 55.34 2jpi s HIS 51 Cb -0.14 -1.59 0.80 0.00 -0.13 0.00 0.00 32.58 31.53 2jpi s HIS 51 CO -0.09 0.38 1.44 -1.35 -2.47 0.00 0.00 174.74 172.66 2jpi h PRO 52 N 1.62 0.00 0.00 2.88 0.11 -1.91 -2.57 132.00 132.13 2jpi h PRO 52 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jpi h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jpi h PRO 52 CO 0.64 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.96 2jpi n ASP 53 N -2.65 0.00 -3.88 -2.05 2.03 -1.21 -0.32 116.55 108.46 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 0.68 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 0.14 -0.01 -0.67 -3.43 -0.88 -2.66 115.29 107.79 2jpi s HIS 54 Ca 0.00 -0.46 -0.00 0.00 -0.80 0.00 0.00 55.06 53.80 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 0.01 0.54 -2.00 0.00 0.00 174.74 172.85 2jpi s VAL 55 N -2.98 -0.01 0.05 -5.38 0.11 -0.96 0.90 120.40 112.13 2jpi s VAL 55 Ca -0.02 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 2jpi s VAL 55 Cb 0.01 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.80 2jpi s VAL 55 CO -0.06 0.02 -0.26 -0.76 -3.33 0.00 0.00 175.10 170.71 2jpi s LEU 56 N 0.26 2.21 -0.20 2.54 1.43 0.28 -2.38 118.68 122.82 2jpi s LEU 56 Ca -0.02 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2jpi s LEU 56 Cb -0.03 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.94 2jpi s LEU 56 CO -0.01 0.25 -0.08 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.30 1.79 -0.05 1.70 -1.94 -0.12 0.12 119.30 119.50 2jpi s MET 57 Ca 0.12 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 2jpi s MET 57 Cb -0.10 -2.36 -0.00 0.00 2.01 0.00 0.00 34.83 34.38 2jpi s MET 57 CO 0.02 -0.47 -0.18 0.42 -0.01 0.00 0.00 175.02 174.80 2jpi s ILE 58 N 1.46 1.53 0.06 2.53 1.01 -1.09 -1.00 121.20 125.69 2jpi s ILE 58 Ca -0.02 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.96 2jpi s ILE 58 Cb -0.17 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2jpi s ILE 58 CO -0.08 0.44 -0.26 -1.48 0.00 0.00 0.00 174.94 173.56 2jpi s LEU 59 N 0.04 2.20 -0.31 2.97 -0.00 -1.23 -1.05 118.68 121.30 2jpi s LEU 59 Ca -0.05 -0.62 0.03 0.00 -0.00 0.00 0.00 54.13 53.50 2jpi s LEU 59 Cb -0.12 -1.23 0.09 0.00 -0.00 0.00 0.00 46.19 44.93 2jpi s LEU 59 CO 0.03 0.23 0.01 0.20 -0.00 0.00 0.00 176.35 176.81 2jpi s ASN 60 N -1.40 4.63 -0.09 1.48 -0.87 -1.09 -4.10 114.94 113.51 2jpi s ASN 60 Ca 0.12 -1.91 -0.06 0.00 -1.57 0.00 0.00 52.86 49.43 2jpi s ASN 60 Cb -0.10 -1.57 0.03 0.00 -0.02 0.00 0.00 41.25 39.59 2jpi s ASN 60 CO 0.03 -0.33 0.22 -0.44 -2.57 0.00 0.00 177.10 174.01 2jpi s SER 61 N 0.99 -0.22 0.00 -1.22 0.01 -1.23 0.13 113.70 112.16 2jpi s SER 61 Ca 0.05 0.44 0.13 0.00 1.31 0.00 0.00 55.95 57.89 2jpi s SER 61 Cb -0.19 0.41 0.56 0.00 0.21 0.00 0.00 66.02 67.01 2jpi s SER 61 CO -0.08 -0.11 1.41 -0.81 0.41 0.00 0.00 173.24 174.07 2jpi n PRO 62 N 3.43 0.01 -3.95 12.44 -0.04 -1.26 -1.59 135.00 144.04 2jpi n PRO 62 Ca -0.17 0.27 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 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 0.34 -0.04 0.00 0.00 175.50 175.80 2jpi s ASP 63 N -2.97 0.19 0.21 3.54 2.15 -1.26 -4.03 116.67 114.50 2jpi s ASP 63 Ca 0.07 -0.28 -0.10 0.00 0.43 0.00 0.00 52.55 52.67 2jpi s ASP 63 Cb 0.09 0.05 0.19 0.00 -0.30 0.00 0.00 42.92 42.94 2jpi s ASP 63 CO 0.23 -0.16 1.85 -0.33 -0.17 0.00 0.00 175.17 176.60 2jpi h GLU 64 N 5.32 0.86 -0.45 4.34 3.07 -1.97 0.94 114.58 126.69 2jpi h GLU 64 Ca -0.29 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.61 2jpi h GLU 64 Cb 1.21 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.83 2jpi h GLU 64 CO 0.45 0.57 -0.33 0.22 -1.40 0.00 0.00 179.01 178.53 2jpi h ASP 65 N 0.89 -1.10 0.63 1.42 1.82 -1.98 1.36 116.42 119.46 2jpi h ASP 65 Ca 0.28 0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 57.09 2jpi h ASP 65 Cb -0.00 0.52 0.01 0.00 0.68 0.00 0.00 39.33 40.54 2jpi h ASP 65 CO -0.10 -0.31 -0.30 -1.28 -1.61 0.00 0.00 179.24 175.63 2jpi h SER 66 N -0.22 -0.72 -0.98 2.28 0.87 -1.82 0.32 113.55 113.27 2jpi h SER 66 Ca 0.19 -0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.83 2jpi h SER 66 Cb 0.54 0.19 -0.12 0.00 -0.44 0.00 0.00 62.40 62.57 2jpi h SER 66 CO -0.58 -0.45 -0.58 -0.11 -0.53 0.00 0.00 176.83 174.58 2jpi n LEU 67 N -5.42 -1.04 -0.09 2.23 0.00 0.32 0.10 117.00 113.10 2jpi n LEU 67 Ca -0.13 1.76 -0.05 0.00 0.00 0.00 0.00 56.01 57.60 2jpi n LEU 67 Cb 0.36 -0.24 0.16 0.00 0.00 0.00 0.00 43.42 43.70 2jpi n LEU 67 CO 0.36 -1.43 0.85 0.00 0.00 0.00 0.00 177.39 177.17 2jpi h ALA 68 N 0.47 1.08 -0.91 1.96 0.00 0.17 -0.09 119.26 121.95 2jpi h ALA 68 Ca 0.16 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jpi h ALA 68 Cb 0.40 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2jpi h ALA 68 CO -0.92 0.57 0.59 1.25 0.00 0.00 0.00 179.25 180.74 2jpi h HIS 69 N 0.70 0.96 0.02 0.00 -0.00 0.19 0.40 115.15 117.42 2jpi h HIS 69 Ca 0.13 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2jpi h HIS 69 Cb 0.50 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2jpi h HIS 69 CO 0.03 0.41 -0.01 0.52 -0.00 0.00 0.00 177.93 178.87 2jpi h MET 70 N 0.86 -0.03 -0.24 5.26 2.86 0.20 -2.28 114.93 121.56 2jpi h MET 70 Ca 0.44 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.15 2jpi h MET 70 Cb 0.51 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2jpi h MET 70 CO -0.20 0.22 0.20 -0.56 1.06 0.00 0.00 176.91 177.63 2jpi h GLN 71 N -1.00 0.00 0.13 1.72 3.07 -0.88 -2.41 115.11 115.74 2jpi h GLN 71 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 2jpi h GLN 71 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.84 2jpi h GLN 71 CO 0.00 0.00 -1.03 -0.97 0.09 0.00 0.00 178.83 176.92 2jpi h ASN 72 N 0.00 0.44 -0.96 0.06 -0.73 -0.32 -3.24 115.58 110.83 2jpi h ASN 72 Ca 0.12 -0.91 0.29 0.00 1.87 0.00 0.00 56.30 57.66 2jpi h ASN 72 Cb 0.51 -0.14 -0.15 0.00 0.27 0.00 0.00 38.32 38.81 2jpi h ASN 72 CO -0.00 1.48 0.44 0.58 -0.37 0.00 0.00 177.43 179.56 2jpi h VAL 73 N -0.35 0.30 -0.15 2.57 2.07 -0.89 0.23 116.25 120.02 2jpi h VAL 73 Ca -0.20 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2jpi h VAL 73 Cb 1.69 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2jpi h VAL 73 CO 0.12 0.05 -0.12 0.58 0.02 0.00 0.00 177.57 178.22 2jpi h VAL 74 N 0.28 1.33 -0.93 2.57 2.07 -1.65 -2.81 116.25 117.11 2jpi h VAL 74 Ca 0.67 -1.24 0.27 0.00 0.82 0.00 0.00 66.70 67.22 2jpi h VAL 74 Cb 1.48 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2jpi h VAL 74 CO -0.63 0.36 0.82 0.00 0.02 0.00 0.00 177.57 178.14 2jpi h ALA 75 N 0.64 2.79 0.10 1.67 0.00 -0.59 0.72 119.26 124.58 2jpi h ALA 75 Ca 0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2jpi h ALA 75 Cb 0.63 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2jpi h ALA 75 CO 0.03 -1.29 -1.06 0.22 0.00 0.00 0.00 179.25 177.15 2jpi h ASP 76 N 0.00 0.76 -0.80 0.00 3.58 -1.17 -3.19 116.42 115.60 2jpi h ASP 76 Ca 0.44 -0.83 0.01 0.00 0.42 0.00 0.00 57.03 57.07 2jpi h ASP 76 Cb 2.07 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 42.84 2jpi h ASP 76 CO -0.00 1.51 0.53 0.45 -2.88 0.00 0.00 179.24 178.85 2jpi h HIS 77 N 0.12 1.00 0.00 0.28 3.86 0.57 -0.99 115.15 120.00 2jpi h HIS 77 Ca -0.16 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 2jpi h HIS 77 Cb 1.76 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.89 2jpi h HIS 77 CO 0.13 0.63 -0.14 -0.07 0.86 0.00 0.00 177.93 179.35 2jpi h LEU 78 N 1.08 0.00 -0.05 2.43 3.38 -1.46 -2.75 115.31 117.95 2jpi h LEU 78 Ca 0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 2jpi h LEU 78 Cb -0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2jpi h LEU 78 CO -0.06 0.14 -0.41 -0.61 0.09 0.00 0.00 178.44 177.58 2jpi h GLN 79 N 0.00 0.36 -0.74 1.13 4.15 -1.20 -2.36 115.11 116.46 2jpi h GLN 79 Ca -0.00 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.14 2jpi h GLN 79 Cb 0.30 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 2jpi h GLN 79 CO 0.02 0.98 0.49 -0.09 -1.93 0.00 0.00 178.83 178.30 2jpi h ARG 80 N -0.14 0.83 0.00 1.69 2.43 -1.08 -0.88 114.38 117.22 2jpi h ARG 80 Ca -0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2jpi h ARG 80 Cb 1.09 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2jpi h ARG 80 CO 0.08 0.55 -0.19 0.00 -1.51 0.00 0.00 179.97 178.90 2jpi n MET 81 N -4.46 0.25 -3.83 0.20 0.00 -1.07 -4.62 117.12 103.59 2jpi n MET 81 Ca 0.10 0.16 -0.30 0.00 0.00 0.00 0.00 57.70 57.66 2jpi n MET 81 Cb 0.16 -1.75 -0.15 0.00 0.00 0.00 0.00 33.22 31.47 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 -3.11 1.78 -0.39 3.17 0.00 -0.34 -5.10 121.76 117.78 2jpi s ALA 82 Ca 0.10 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.28 2jpi s ALA 82 Cb 0.13 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.68 2jpi s ALA 82 CO 0.63 -1.49 0.42 1.21 0.00 0.00 0.00 175.76 176.53 2jpi s ASN 83 N 1.48 6.20 0.00 0.00 2.47 -1.25 -4.48 114.94 119.36 2jpi s ASN 83 Ca 0.05 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.88 2jpi s ASN 83 Cb -0.18 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2jpi s ASN 83 CO -0.16 -0.49 0.00 -1.54 -3.72 0.00 0.00 177.10 171.20 2jpi n SER 84 N 5.54 0.00 -3.62 -4.21 3.41 -1.26 -5.15 113.62 108.33 2jpi n SER 84 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 2jpi n SER 84 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2jpi s GLU 85 N 0.00 1.51 -0.91 4.33 1.03 -1.26 -5.05 118.70 118.35 2jpi s GLU 85 Ca 0.00 -0.71 -0.21 0.00 0.03 0.00 0.00 54.97 54.08 2jpi s GLU 85 Cb 0.00 0.60 -0.12 0.00 -0.80 0.00 0.00 34.13 33.81 2jpi s GLU 85 CO 0.00 -0.68 1.97 0.43 -1.33 0.00 0.00 175.26 175.65 2jpi n SER 86 N -0.42 2.80 -0.21 0.83 7.64 -1.26 -4.74 113.62 118.27 2jpi n SER 86 Ca -0.11 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.06 2jpi n SER 86 Cb 0.62 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 7.68 -0.14 -4.55 -3.43 7.99 -1.26 -4.63 117.00 118.66 2jpi n LEU 87 Ca 0.50 0.09 -0.37 0.00 -0.01 0.00 0.00 56.01 56.22 2jpi n LEU 87 Cb 0.41 -0.14 -0.03 0.00 -0.11 0.00 0.00 43.42 43.55 2jpi n LEU 87 CO 0.99 -0.17 1.51 -0.70 -1.51 0.00 0.00 177.39 177.51 2jpi s GLU 88 N 0.00 2.70 -0.05 3.23 2.12 -1.26 -4.92 118.70 120.52 2jpi s GLU 88 Ca 0.00 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.66 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 -2.75 -0.06 0.96 -0.54 0.00 0.00 175.26 172.87 2jpi s ILE 89 N 8.75 0.64 -0.41 -3.70 -0.00 -1.26 -4.80 121.20 120.41 2jpi s ILE 89 Ca 0.63 -0.17 -0.16 0.00 -0.00 0.00 0.00 60.65 60.95 2jpi s ILE 89 Cb -0.11 -0.65 0.02 0.00 -0.00 0.00 0.00 42.46 41.72 2jpi s ILE 89 CO 0.16 0.25 0.39 0.00 -0.00 0.00 0.00 174.94 175.74 2jpi s ALA 90 N 0.94 3.45 -0.08 2.27 0.00 -1.26 -5.02 121.76 122.06 2jpi s ALA 90 Ca -0.11 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 2jpi s ALA 90 Cb -0.14 -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 0.46 1.67 0.00 0.00 0.00 175.76 176.40 2jpi s TRP 91 N 2.01 3.59 0.32 0.00 1.48 -1.26 -3.96 118.94 121.11 2jpi s TRP 91 Ca 0.10 0.93 -0.09 0.00 -1.06 0.00 0.00 56.10 55.98 2jpi s TRP 91 Cb -0.17 -2.47 -0.06 0.00 -1.16 0.00 0.00 33.47 29.60 2jpi s TRP 91 CO 0.12 0.32 0.64 -0.65 -4.06 0.00 0.00 176.95 173.33 2jpi s GLN 92 N 0.06 3.75 0.36 3.25 -0.21 -1.24 -4.97 119.66 120.64 2jpi s GLN 92 Ca 0.25 0.27 0.14 0.00 0.02 0.00 0.00 55.36 56.05 2jpi s GLN 92 Cb -0.16 -2.54 1.01 0.00 1.00 0.00 0.00 33.01 32.32 2jpi s GLN 92 CO 0.11 0.14 1.73 -1.35 -2.12 0.00 0.00 175.29 173.81 2jpi h PRO 93 N 1.75 0.45 -0.04 2.91 0.11 -1.95 -3.41 132.00 131.82 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 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jpi h PRO 93 CO 0.66 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 2jpi n ALA 94 N -2.38 0.00 -3.51 -0.75 0.00 -1.26 -4.82 120.51 107.80 2jpi n ALA 94 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.62 2jpi n ALA 94 Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.20 1.13 0.00 0.00 -6.30 -1.24 -1.68 118.70 109.42 2jpi s GLU 95 Ca 0.00 -0.46 0.00 0.00 -2.50 0.00 0.00 54.97 52.01 2jpi s GLU 95 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 34.13 34.63 2jpi s GLU 95 CO 0.00 -0.50 0.30 0.43 0.02 0.00 0.00 175.26 175.51