#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 2.76 -0.14 3.17 0.08 -0.77 -4.90 117.98 118.18 2jpi s PHE 2 Ca 0.00 -0.29 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 2jpi s PHE 2 Cb 0.00 -2.50 0.06 0.00 -0.57 0.00 0.00 43.02 40.01 2jpi s PHE 2 CO 0.00 -0.61 0.31 0.50 -0.10 0.00 0.00 175.22 175.32 2jpi s ARG 3 N -4.50 0.24 0.33 0.44 6.06 -0.57 -3.48 118.95 117.46 2jpi s ARG 3 Ca 0.56 0.71 0.09 0.00 -2.50 0.00 0.00 55.73 54.60 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 0.35 -0.21 -0.02 0.45 -2.50 0.00 0.00 175.30 173.37 2jpi s SER 4 N 1.80 4.09 -0.10 -2.12 0.15 -1.26 -4.07 113.70 112.19 2jpi s SER 4 Ca -0.05 -1.00 -0.05 0.00 0.70 0.00 0.00 55.95 55.55 2jpi s SER 4 Cb -0.11 -0.51 0.05 0.00 -1.71 0.00 0.00 66.02 63.74 2jpi s SER 4 CO -0.10 -0.19 0.22 0.42 1.20 0.00 0.00 173.24 174.79 2jpi s THR 5 N -2.52 -0.15 -0.16 6.45 -4.23 -1.26 -3.45 115.64 110.33 2jpi s THR 5 Ca 0.34 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2jpi s THR 5 Cb -0.01 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 2jpi s THR 5 CO 0.19 0.08 -0.06 -0.55 -0.54 0.00 0.00 174.62 173.74 2jpi s SER 6 N 1.61 4.48 -0.12 3.99 0.15 -0.31 -3.70 113.70 119.80 2jpi s SER 6 Ca -0.06 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 2jpi s SER 6 Cb -0.11 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 2jpi s SER 6 CO -0.08 0.13 -0.12 -1.38 1.20 0.00 0.00 173.24 173.00 2jpi s HIS 7 N 0.57 2.84 0.03 3.44 -3.43 -1.26 -1.25 115.29 116.23 2jpi s HIS 7 Ca -0.04 -0.53 -0.01 0.00 -0.80 0.00 0.00 55.06 53.68 2jpi s HIS 7 Cb -0.15 -1.84 -0.03 0.00 -1.43 0.00 0.00 32.58 29.14 2jpi s HIS 7 CO 0.03 -0.13 -0.02 0.08 -2.00 0.00 0.00 174.74 172.70 2jpi s VAL 8 N 0.21 0.14 -0.46 -5.38 1.01 -1.07 -4.34 120.40 110.51 2jpi s VAL 8 Ca -0.07 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 2jpi s VAL 8 Cb -0.15 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.61 2jpi s VAL 8 CO 0.05 -0.66 0.38 -0.13 0.00 0.00 0.00 175.10 174.74 2jpi s ARG 9 N -2.27 2.98 0.13 2.72 3.00 -1.26 -2.37 118.95 121.88 2jpi s ARG 9 Ca -0.08 -1.30 0.05 0.00 0.00 0.00 0.00 55.73 54.40 2jpi s ARG 9 Cb -0.04 -4.11 -0.04 0.00 0.00 0.00 0.00 34.95 30.76 2jpi s ARG 9 CO -0.04 -0.99 -0.12 -0.08 0.00 0.00 0.00 175.30 174.07 2jpi s THR 10 N 1.66 1.27 -0.01 0.02 -1.32 -1.07 -4.98 115.64 111.20 2jpi s THR 10 Ca 0.04 -1.86 -0.01 0.00 -1.21 0.00 0.00 61.69 58.65 2jpi s THR 10 Cb -0.23 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.07 -0.55 0.09 -1.61 -2.21 0.00 0.00 174.62 170.41 2jpi s GLU 11 N -3.10 3.12 -1.80 7.08 2.02 -1.26 -2.02 118.70 122.73 2jpi s GLU 11 Ca 0.12 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2jpi s GLU 11 Cb -0.02 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2jpi s GLU 11 CO 0.02 0.66 0.00 0.45 0.02 0.00 0.00 175.26 176.41 2jpi n SER 12 N 1.23 -5.56 -0.29 -0.19 2.88 0.22 -4.86 113.62 107.05 2jpi n SER 12 Ca -0.13 0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.68 2jpi n SER 12 Cb 0.53 -4.71 0.38 0.00 -0.75 0.00 0.00 64.21 59.66 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 0.77 1.85 -0.19 -1.46 0.00 -1.72 -2.17 119.26 116.33 2jpi h ALA 13 Ca -0.45 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2jpi h ALA 13 Cb 1.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2jpi h ALA 13 CO 0.57 -0.13 0.44 0.00 0.00 0.00 0.00 179.25 180.12 2jpi h ALA 14 N 1.60 1.73 0.17 0.00 0.00 -1.64 -2.00 119.26 119.13 2jpi h ALA 14 Ca 0.49 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.15 2jpi h ALA 14 Cb 0.84 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.67 2jpi h ALA 14 CO -0.25 -0.54 -1.04 -0.09 0.00 0.00 0.00 179.25 177.33 2jpi h ARG 15 N 0.00 0.40 -0.33 0.00 1.12 -1.72 -2.83 114.38 111.02 2jpi h ARG 15 Ca 0.09 -0.66 -0.07 0.00 -1.11 0.00 0.00 59.98 58.23 2jpi h ARG 15 Cb 0.97 0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 31.15 2jpi h ARG 15 CO -0.00 1.31 -0.09 1.88 -3.11 0.00 0.00 179.97 179.96 2jpi h TYR 16 N -0.16 0.59 -0.26 2.20 0.05 -1.53 0.54 116.97 118.39 2jpi h TYR 16 Ca -0.18 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 2jpi h TYR 16 Cb 1.82 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 39.39 2jpi h TYR 16 CO 0.17 0.63 0.10 0.28 -1.05 0.00 0.00 178.16 178.29 2jpi h VAL 17 N 0.51 1.18 -0.01 -2.88 2.07 -1.60 -0.12 116.25 115.39 2jpi h VAL 17 Ca 0.10 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2jpi h VAL 17 Cb 0.46 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2jpi h VAL 17 CO 0.03 0.18 -0.46 0.78 0.02 0.00 0.00 177.57 178.12 2jpi h ASN 18 N 0.27 0.03 1.75 0.57 4.21 -1.16 -2.87 115.58 118.37 2jpi h ASN 18 Ca 0.09 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2jpi h ASN 18 Cb 0.19 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2jpi h ASN 18 CO -0.01 0.49 0.00 -0.09 -1.29 0.00 0.00 177.43 176.53 2jpi h ARG 19 N 0.02 0.00 -0.09 0.81 9.65 0.50 -3.32 114.38 121.95 2jpi h ARG 19 Ca -0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2jpi h ARG 19 Cb 0.83 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2jpi h ARG 19 CO 0.06 0.00 -0.09 -0.07 2.80 0.00 0.00 179.97 182.68 2jpi h LEU 20 N 0.00 0.24 -1.10 3.80 3.38 -0.79 0.08 115.31 120.91 2jpi h LEU 20 Ca 0.00 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.59 2jpi h LEU 20 Cb 0.87 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 2jpi h LEU 20 CO 0.00 0.66 0.61 0.00 0.09 0.00 0.00 178.44 179.81 2jpi h LYS 22 N 0.98 0.00 0.00 0.00 1.57 -1.67 -0.90 116.57 116.56 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 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2jpi h LYS 22 CO -0.21 0.05 -0.19 1.25 -0.57 0.00 0.00 179.45 179.78 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.15 -3.40 115.15 113.32 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 -0.39 0.91 -1.30 0.00 0.00 177.93 177.15 2jpi n TRP 24 N -4.19 0.24 -0.81 5.26 7.02 0.17 -4.55 117.44 120.57 2jpi n TRP 24 Ca -0.03 0.07 -0.30 0.00 -1.02 0.00 0.00 57.50 56.22 2jpi n TRP 24 Cb 0.10 -0.48 -0.04 0.00 -2.42 0.00 0.00 31.31 28.48 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 1.44 2.59 0.05 6.99 0.00 -0.34 -4.02 105.19 111.89 2jpi n GLY 25 Ca 0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 5.90 0.00 -2.03 1.61 8.25 -1.26 -4.78 115.22 122.91 2jpi n HIS 26 Ca 0.42 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2jpi n HIS 26 Cb 0.25 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.41 0.00 -4.07 -0.41 0.00 -1.26 -5.11 118.16 104.90 2jpi n LYS 27 Ca -0.16 -0.68 -0.07 0.00 0.00 0.00 0.00 58.31 57.39 2jpi n LYS 27 Cb 0.80 -0.25 -0.10 0.00 0.00 0.00 0.00 35.03 35.47 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 0.48 -0.46 5.64 0.08 -1.26 -5.11 117.98 117.35 2jpi s PHE 28 Ca 0.02 -0.98 -0.29 0.00 0.12 0.00 0.00 56.93 55.79 2jpi s PHE 28 Cb 0.02 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.13 2jpi s PHE 28 CO -0.01 -0.35 1.25 -1.83 -0.10 0.00 0.00 175.22 174.18 2jpi s GLU 29 N -3.53 3.65 -0.20 0.44 1.03 -1.26 -4.72 118.70 114.11 2jpi s GLU 29 Ca 0.03 0.70 0.01 0.00 0.03 0.00 0.00 54.97 55.75 2jpi s GLU 29 Cb 0.05 -3.96 0.03 0.00 -0.80 0.00 0.00 34.13 29.45 2jpi s GLU 29 CO -0.09 -1.47 -0.17 0.14 -1.33 0.00 0.00 175.26 172.34 2jpi s VAL 30 N 4.88 2.05 0.24 1.83 -7.23 -1.26 -3.21 120.40 117.70 2jpi s VAL 30 Ca 0.53 -1.11 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2jpi s VAL 30 Cb -0.10 -1.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 2jpi s VAL 30 CO 0.32 0.37 0.50 -1.61 -0.31 0.00 0.00 175.10 174.38 2jpi s GLU 31 N 1.25 3.67 -0.21 4.82 2.02 0.29 -4.93 118.70 125.62 2jpi s GLU 31 Ca 0.01 0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.01 2jpi s GLU 31 Cb -0.15 -2.70 0.07 0.00 0.10 0.00 0.00 34.13 31.45 2jpi s GLU 31 CO -0.11 0.31 0.05 -1.17 0.02 0.00 0.00 175.26 174.37 2jpi s LEU 32 N -3.15 1.12 0.25 1.80 0.20 -1.26 -2.91 118.68 114.73 2jpi s LEU 32 Ca 0.44 -0.90 0.04 0.00 0.69 0.00 0.00 54.13 54.40 2jpi s LEU 32 Cb -0.11 -0.55 -0.05 0.00 -0.43 0.00 0.00 46.19 45.04 2jpi s LEU 32 CO 0.26 -0.33 -0.01 0.42 -0.29 0.00 0.00 176.35 176.40 2jpi s THR 33 N 1.89 1.16 -0.05 3.68 -4.23 -1.19 -5.03 115.64 111.87 2jpi s THR 33 Ca 0.01 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.42 2jpi s THR 33 Cb -0.17 -2.40 -0.23 0.00 1.34 0.00 0.00 72.50 71.04 2jpi s THR 33 CO -0.11 -0.29 3.26 -0.81 -0.54 0.00 0.00 174.62 176.12 2jpi n PRO 34 N -0.47 1.83 0.00 3.99 -0.04 -1.26 -3.19 135.00 135.86 2jpi n PRO 34 Ca -0.05 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2jpi n PRO 34 Cb 0.64 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.60 0.00 -3.69 0.54 1.02 -1.26 -5.03 120.64 114.81 2jpi n GLU 35 Ca 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.51 2jpi n GLU 35 Cb 0.79 -0.04 -0.01 0.00 -0.02 0.00 0.00 31.44 32.17 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 -1.08 0.87 -0.25 3.49 1.70 -1.19 -1.72 118.95 120.76 2jpi s ARG 36 Ca 0.00 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 54.73 2jpi s ARG 36 Cb 0.00 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2jpi s ARG 36 CO 0.00 -0.40 0.02 0.20 -1.08 0.00 0.00 175.30 174.04 2jpi s GLY 37 N -2.92 1.70 -0.22 3.88 0.00 -0.56 -3.17 107.32 106.02 2jpi s GLY 37 Ca 0.13 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 2jpi s GLY 37 CO -0.01 0.53 0.15 -0.12 0.00 0.00 0.00 173.10 173.66 2jpi s PHE 38 N 1.50 3.36 -0.26 1.90 5.36 -1.14 -2.43 117.98 126.26 2jpi s PHE 38 Ca 0.04 0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 2jpi s PHE 38 Cb -0.16 -2.23 0.09 0.00 -0.34 0.00 0.00 43.02 40.38 2jpi s PHE 38 CO -0.00 0.16 0.10 0.42 -1.46 0.00 0.00 175.22 174.44 2jpi s ILE 39 N 0.76 0.19 -0.22 3.12 1.01 -1.11 -0.55 121.20 124.40 2jpi s ILE 39 Ca 0.08 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 2jpi s ILE 39 Cb -0.12 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2jpi s ILE 39 CO 0.02 -0.55 0.08 1.51 0.00 0.00 0.00 174.94 176.00 2jpi s ASP 40 N 1.98 5.48 0.00 3.58 -4.77 -1.20 -1.46 116.67 120.28 2jpi s ASP 40 Ca 0.06 -0.05 0.19 0.00 -3.30 0.00 0.00 52.55 49.45 2jpi s ASP 40 Cb -0.16 -1.97 0.62 0.00 -1.09 0.00 0.00 42.92 40.32 2jpi s ASP 40 CO -0.25 0.05 1.47 0.49 0.70 0.00 0.00 175.17 177.64 2jpi n PHE 41 N 4.35 0.31 0.00 2.11 3.01 -0.73 -4.32 117.46 122.19 2jpi n PHE 41 Ca -0.16 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.14 2jpi n PHE 41 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 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 1.17 1.41 2.52 1.37 0.00 -1.26 -4.72 105.19 105.68 2jpi n GLY 42 Ca 0.16 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 1.02 6.60 0.00 1.61 -0.08 -1.26 -4.83 116.55 119.61 2jpi n ASP 43 Ca 0.00 -3.25 0.00 0.00 -1.51 0.00 0.00 54.79 50.03 2jpi n ASP 43 Cb 0.00 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.23 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 0.80 0.00 -4.01 1.67 3.41 -1.26 -4.33 113.62 109.90 2jpi n SER 44 Ca 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 2jpi n SER 44 Cb 0.52 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 -0.06 -0.28 4.04 -0.87 0.40 -1.78 114.94 116.39 2jpi s ASN 45 Ca 0.00 -0.96 0.01 0.00 -1.57 0.00 0.00 52.86 50.34 2jpi s ASN 45 Cb 0.00 0.55 0.16 0.00 -0.02 0.00 0.00 41.25 41.93 2jpi s ASN 45 CO 0.00 -1.08 0.41 0.00 -2.57 0.00 0.00 177.10 173.86 2jpi s GLU 47 N 2.56 3.21 -0.13 0.00 2.12 0.05 -2.75 118.70 123.76 2jpi s GLU 47 Ca 0.11 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.76 2jpi s GLU 47 Cb -0.13 -2.87 0.06 0.00 0.26 0.00 0.00 34.13 31.45 2jpi s GLU 47 CO -0.27 0.54 0.14 -1.17 -0.54 0.00 0.00 175.26 173.97 2jpi s LEU 48 N -2.85 0.07 -0.06 2.70 2.96 -1.02 -2.40 118.68 118.07 2jpi s LEU 48 Ca 0.33 -0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.92 2jpi s LEU 48 Cb -0.12 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 2jpi s LEU 48 CO 0.26 -0.29 0.64 -0.22 -1.32 0.00 0.00 176.35 175.42 2jpi s LEU 49 N 2.24 4.33 -0.10 -0.68 2.96 0.35 -1.50 118.68 126.28 2jpi s LEU 49 Ca 0.04 1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 55.05 2jpi s LEU 49 Cb -0.14 -2.99 0.04 0.00 0.50 0.00 0.00 46.19 43.61 2jpi s LEU 49 CO -0.08 -0.05 0.05 0.00 -1.32 0.00 0.00 176.35 174.96 2jpi s ALA 50 N 0.54 0.48 0.33 5.97 0.00 -0.70 0.38 121.76 128.75 2jpi s ALA 50 Ca 0.34 -0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.27 2jpi s ALA 50 Cb -0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 2jpi s ALA 50 CO 0.17 -0.76 -0.06 -1.58 0.00 0.00 0.00 175.76 173.53 2jpi s HIS 51 N 2.08 2.47 0.66 0.00 2.46 0.15 -3.59 115.29 119.53 2jpi s HIS 51 Ca 0.03 -0.42 0.15 0.00 0.47 0.00 0.00 55.06 55.29 2jpi s HIS 51 Cb -0.14 -1.35 0.82 0.00 -0.13 0.00 0.00 32.58 31.78 2jpi s HIS 51 CO -0.06 0.56 1.46 -1.35 -2.47 0.00 0.00 174.74 172.89 2jpi h PRO 52 N 1.96 0.00 0.00 2.88 0.11 -1.92 -2.69 132.00 132.34 2jpi h PRO 52 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.66 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.98 2jpi n ASP 53 N -2.71 0.00 -3.86 -2.05 2.03 -1.22 -0.61 116.55 108.14 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 0.70 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.09 -0.01 -0.67 -3.43 -0.86 -2.61 115.29 107.81 2jpi s HIS 54 Ca 0.00 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 2jpi s HIS 54 Cb 0.00 -0.05 0.01 0.00 -1.43 0.00 0.00 32.58 31.11 2jpi s HIS 54 CO 0.00 -0.45 -0.01 0.54 -2.00 0.00 0.00 174.74 172.82 2jpi s VAL 55 N -2.88 0.08 0.01 -5.38 0.11 -1.00 0.35 120.40 111.69 2jpi s VAL 55 Ca -0.03 -0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.09 2jpi s VAL 55 Cb 0.00 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 2jpi s VAL 55 CO -0.06 0.05 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.77 2jpi s LEU 56 N 0.21 2.29 -0.20 2.54 1.43 0.16 -2.61 118.68 122.51 2jpi s LEU 56 Ca -0.02 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2jpi s LEU 56 Cb -0.03 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.84 2jpi s LEU 56 CO -0.01 0.29 -0.08 -0.04 0.23 0.00 0.00 176.35 176.75 2jpi s MET 57 N -0.97 1.80 -0.03 1.70 -1.94 -0.38 0.13 119.30 119.61 2jpi s MET 57 Ca 0.12 -0.80 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 2jpi s MET 57 Cb -0.10 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 2jpi s MET 57 CO 0.01 -0.47 -0.20 0.42 -0.01 0.00 0.00 175.02 174.78 2jpi s ILE 58 N 1.45 1.59 0.03 2.53 1.01 -1.01 -1.17 121.20 125.65 2jpi s ILE 58 Ca -0.02 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.87 2jpi s ILE 58 Cb -0.17 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 2jpi s ILE 58 CO -0.08 0.45 -0.22 -1.48 0.00 0.00 0.00 174.94 173.61 2jpi s LEU 59 N -0.28 2.15 -0.32 2.97 -0.00 -1.22 -0.77 118.68 121.21 2jpi s LEU 59 Ca 0.03 -0.52 0.04 0.00 -0.00 0.00 0.00 54.13 53.68 2jpi s LEU 59 Cb -0.10 -1.07 0.09 0.00 -0.00 0.00 0.00 46.19 45.11 2jpi s LEU 59 CO 0.01 0.20 0.00 0.20 -0.00 0.00 0.00 176.35 176.76 2jpi s ASN 60 N -1.09 4.66 -0.10 1.48 -0.87 -1.13 -4.04 114.94 113.85 2jpi s ASN 60 Ca 0.09 -1.93 -0.07 0.00 -1.57 0.00 0.00 52.86 49.38 2jpi s ASN 60 Cb -0.09 -1.60 0.03 0.00 -0.02 0.00 0.00 41.25 39.58 2jpi s ASN 60 CO 0.01 -0.32 0.24 -0.44 -2.57 0.00 0.00 177.10 174.02 2jpi s SER 61 N 0.97 -0.25 0.04 -1.22 0.01 -1.23 0.15 113.70 112.17 2jpi s SER 61 Ca 0.05 0.49 0.11 0.00 1.31 0.00 0.00 55.95 57.91 2jpi s SER 61 Cb -0.19 0.44 0.47 0.00 0.21 0.00 0.00 66.02 66.95 2jpi s SER 61 CO -0.07 -0.12 1.34 -0.81 0.41 0.00 0.00 173.24 173.99 2jpi n PRO 62 N 3.58 0.03 -3.95 12.44 -0.04 -1.26 -1.84 135.00 143.95 2jpi n PRO 62 Ca -0.19 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2jpi n PRO 62 Cb 0.56 -1.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.18 0.21 0.21 3.54 2.15 -1.26 -3.99 116.67 114.34 2jpi s ASP 63 Ca 0.04 -0.30 -0.10 0.00 0.43 0.00 0.00 52.55 52.61 2jpi s ASP 63 Cb 0.06 0.05 0.17 0.00 -0.30 0.00 0.00 42.92 42.90 2jpi s ASP 63 CO 0.18 -0.17 1.86 -0.33 -0.17 0.00 0.00 175.17 176.54 2jpi h GLU 64 N 5.26 0.86 -0.45 4.34 3.07 -1.97 0.95 114.58 126.64 2jpi h GLU 64 Ca -0.29 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.60 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 0.00 179.01 178.52 2jpi h ASP 65 N 0.89 -1.10 0.65 1.42 1.82 -1.97 1.30 116.42 119.43 2jpi h ASP 65 Ca 0.27 0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 57.08 2jpi h ASP 65 Cb -0.02 0.52 0.01 0.00 0.68 0.00 0.00 39.33 40.52 2jpi h ASP 65 CO -0.09 -0.31 -0.31 -1.28 -1.61 0.00 0.00 179.24 175.63 2jpi h SER 66 N -0.23 -0.74 -0.97 2.28 0.87 -1.82 -0.35 113.55 112.59 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 -0.57 -0.48 -0.57 -0.11 -0.53 0.00 0.00 176.83 174.57 2jpi n LEU 67 N -5.44 -1.03 -0.00 2.23 0.00 0.32 0.62 117.00 113.70 2jpi n LEU 67 Ca -0.13 1.74 -0.01 0.00 0.00 0.00 0.00 56.01 57.62 2jpi n LEU 67 Cb 0.36 -0.23 0.27 0.00 0.00 0.00 0.00 43.42 43.83 2jpi n LEU 67 CO 0.36 -1.42 0.90 0.00 0.00 0.00 0.00 177.39 177.23 2jpi h ALA 68 N 0.47 1.31 -0.94 1.96 0.00 0.16 -1.35 119.26 120.87 2jpi h ALA 68 Ca 0.16 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2jpi h ALA 68 Cb 0.40 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2jpi h ALA 68 CO -0.91 0.47 0.60 1.25 0.00 0.00 0.00 179.25 180.65 2jpi h HIS 69 N 0.50 1.01 0.06 0.00 6.17 0.20 0.38 115.15 123.46 2jpi h HIS 69 Ca 0.10 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.21 2jpi h HIS 69 Cb 0.39 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.00 2jpi h HIS 69 CO 0.01 0.41 -0.03 0.52 0.71 0.00 0.00 177.93 179.56 2jpi h MET 70 N 0.89 -0.07 -0.27 5.26 2.86 -0.17 -2.30 114.93 121.12 2jpi h MET 70 Ca 0.46 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.18 2jpi h MET 70 Cb 0.52 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2jpi h MET 70 CO -0.22 0.16 0.23 -0.56 1.06 0.00 0.00 176.91 177.58 2jpi h GLN 71 N -1.00 0.00 0.10 1.72 3.07 -1.11 -2.40 115.11 115.49 2jpi h GLN 71 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.55 2jpi h GLN 71 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.84 2jpi h GLN 71 CO 0.01 0.00 -0.85 -0.97 0.09 0.00 0.00 178.83 177.11 2jpi h ASN 72 N 0.00 0.34 -1.00 0.06 -0.73 -0.36 -3.20 115.58 110.70 2jpi h ASN 72 Ca 0.13 -0.91 0.31 0.00 1.87 0.00 0.00 56.30 57.70 2jpi h ASN 72 Cb 0.58 -0.11 -0.15 0.00 0.27 0.00 0.00 38.32 38.91 2jpi h ASN 72 CO -0.00 1.39 0.56 0.58 -0.37 0.00 0.00 177.43 179.59 2jpi h VAL 73 N -0.50 0.34 -0.06 2.57 2.07 -0.89 0.97 116.25 120.75 2jpi h VAL 73 Ca -0.17 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2jpi h VAL 73 Cb 1.55 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2jpi h VAL 73 CO 0.08 0.07 -0.15 0.58 0.02 0.00 0.00 177.57 178.17 2jpi h VAL 74 N 0.36 1.42 -1.30 2.57 2.07 -1.64 -3.02 116.25 116.72 2jpi h VAL 74 Ca 0.71 -1.48 0.38 0.00 0.82 0.00 0.00 66.70 67.13 2jpi h VAL 74 Cb 1.58 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 33.55 2jpi h VAL 74 CO -0.59 0.41 0.97 0.00 0.02 0.00 0.00 177.57 178.39 2jpi h ALA 75 N 0.47 3.22 -0.07 1.67 0.00 -0.81 0.89 119.26 124.62 2jpi h ALA 75 Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2jpi h ALA 75 Cb 0.74 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jpi h ALA 75 CO 0.03 -1.64 -0.59 0.22 0.00 0.00 0.00 179.25 177.27 2jpi h ASP 76 N 0.00 0.65 -0.84 0.00 1.82 -1.29 -2.98 116.42 113.78 2jpi h ASP 76 Ca 0.62 -0.68 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2jpi h ASP 76 Cb 2.55 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 42.33 2jpi h ASP 76 CO -0.01 1.23 0.55 0.45 -1.61 0.00 0.00 179.24 179.85 2jpi h HIS 77 N 0.12 1.07 0.00 0.28 -0.00 0.87 -1.67 115.15 115.82 2jpi h HIS 77 Ca -0.05 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 2jpi h HIS 77 Cb 1.25 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 2jpi h HIS 77 CO 0.12 0.68 -0.29 -0.07 -0.00 0.00 0.00 177.93 178.37 2jpi h LEU 78 N 1.15 0.00 -0.09 2.43 3.38 -1.38 -3.06 115.31 117.73 2jpi h LEU 78 Ca 0.31 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 2jpi h LEU 78 Cb -0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jpi h LEU 78 CO -0.07 0.29 -0.66 0.06 0.09 0.00 0.00 178.44 178.16 2jpi h GLN 79 N 0.00 0.61 -0.96 1.13 3.07 -1.16 -1.39 115.11 116.41 2jpi h GLN 79 Ca -0.00 -0.53 0.08 0.00 0.09 0.00 0.00 58.65 58.29 2jpi h GLN 79 Cb 0.55 0.12 -0.07 0.00 0.08 0.00 0.00 27.48 28.16 2jpi h GLN 79 CO 0.04 1.15 0.60 0.00 0.09 0.00 0.00 178.83 180.71 2jpi h ARG 80 N 0.24 1.02 0.00 0.06 3.08 -1.29 -0.08 114.38 117.41 2jpi h ARG 80 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2jpi h ARG 80 Cb 1.31 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2jpi h ARG 80 CO 0.13 0.67 -0.28 0.00 -1.07 0.00 0.00 179.97 179.43 2jpi n MET 81 N -4.58 0.11 -3.71 0.04 0.00 -1.19 -4.76 117.12 103.02 2jpi n MET 81 Ca 0.16 0.05 -0.23 0.00 0.00 0.00 0.00 57.70 57.68 2jpi n MET 81 Cb 0.24 -1.59 -0.18 0.00 0.00 0.00 0.00 33.22 31.70 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 0.54 0.09 3.17 0.00 -0.04 -5.10 121.76 117.37 2jpi s ALA 82 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2jpi s ALA 82 Cb 0.16 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2jpi s ALA 82 CO 0.63 -0.63 0.00 0.09 0.00 0.00 0.00 175.76 175.85 2jpi n ASN 83 N 5.20 -3.40 -0.03 0.00 5.03 -1.25 -4.38 115.26 116.43 2jpi n ASN 83 Ca -0.06 0.43 0.03 0.00 0.87 0.00 0.00 54.58 55.85 2jpi n ASN 83 Cb 0.50 -1.37 -0.13 0.00 -1.02 0.00 0.00 39.78 37.76 2jpi n ASN 83 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jpi n SER 84 N -4.08 1.21 -3.57 6.41 2.88 -1.26 -4.50 113.62 110.72 2jpi n SER 84 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2jpi n SER 84 Cb 0.18 1.45 0.26 0.00 -0.75 0.00 0.00 64.21 65.35 2jpi n SER 84 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jpi n GLU 85 N -2.25 -3.92 -2.40 -1.46 0.28 -1.26 -4.85 120.64 104.79 2jpi n GLU 85 Ca -0.11 -1.16 -0.43 0.00 -0.16 0.00 0.00 57.16 55.31 2jpi n GLU 85 Cb 0.63 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.63 2jpi n GLU 85 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jpi n SER 86 N -4.73 5.15 0.00 -1.84 7.64 -1.26 -4.84 113.62 113.74 2jpi n SER 86 Ca 0.10 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2jpi n SER 86 Cb 0.55 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2jpi n SER 86 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jpi n LEU 87 N 3.84 0.00 -4.55 -3.43 -0.00 -1.26 -4.60 117.00 107.00 2jpi n LEU 87 Ca 0.39 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 56.03 2jpi n LEU 87 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.75 2jpi n LEU 87 CO 0.80 0.00 1.56 -0.70 -0.00 0.00 0.00 177.39 179.05 2jpi s GLU 88 N 0.00 2.63 -0.04 1.96 2.12 -1.26 -4.91 118.70 119.19 2jpi s GLU 88 Ca 0.00 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.78 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 -0.06 0.96 -0.54 0.00 0.00 175.26 172.80 2jpi s ILE 89 N 9.17 0.61 -0.45 -3.70 -0.00 -1.26 -4.95 121.20 120.62 2jpi s ILE 89 Ca 0.67 -0.17 -0.26 0.00 -0.00 0.00 0.00 60.65 60.88 2jpi s ILE 89 Cb -0.11 -0.62 0.03 0.00 -0.00 0.00 0.00 42.46 41.75 2jpi s ILE 89 CO 0.17 0.24 0.97 0.00 -0.00 0.00 0.00 174.94 176.32 2jpi s ALA 90 N 0.83 3.25 -0.12 2.27 0.00 -1.26 -5.01 121.76 121.72 2jpi s ALA 90 Ca -0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 2jpi s ALA 90 Cb -0.14 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 2jpi s ALA 90 CO 0.01 -2.02 0.28 1.67 0.00 0.00 0.00 175.76 175.70 2jpi s TRP 91 N 3.85 3.55 0.26 0.00 1.48 -1.26 -4.00 118.94 122.81 2jpi s TRP 91 Ca 0.39 0.66 -0.11 0.00 -1.06 0.00 0.00 56.10 55.98 2jpi s TRP 91 Cb -0.10 -2.24 -0.08 0.00 -1.16 0.00 0.00 33.47 29.89 2jpi s TRP 91 CO 0.26 0.43 0.61 -0.65 -4.06 0.00 0.00 176.95 173.54 2jpi s GLN 92 N -0.18 3.87 0.38 3.25 -0.21 -1.24 -4.97 119.66 120.55 2jpi s GLN 92 Ca 0.17 0.40 0.18 0.00 0.02 0.00 0.00 55.36 56.14 2jpi s GLN 92 Cb -0.13 -2.58 1.13 0.00 1.00 0.00 0.00 33.01 32.43 2jpi s GLN 92 CO 0.06 0.26 1.71 -1.35 -2.12 0.00 0.00 175.29 173.85 2jpi h PRO 93 N 2.44 0.34 0.00 2.91 0.11 -1.95 -3.41 132.00 132.44 2jpi h PRO 93 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jpi h PRO 93 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.68 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 2jpi n ALA 94 N -2.42 0.00 -2.35 -0.75 0.00 -1.26 -4.82 120.51 108.92 2jpi n ALA 94 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 2jpi n ALA 94 Cb 0.98 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.33 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 0.00 1.01 0.00 0.00 2.12 -1.26 -1.52 118.70 119.05 2jpi s GLU 95 Ca 0.00 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 53.98 2jpi s GLU 95 Cb 0.00 -0.66 0.00 0.00 0.26 0.00 0.00 34.13 33.73 2jpi s GLU 95 CO 0.00 0.09 0.40 0.43 -0.54 0.00 0.00 175.26 175.65