#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 2.77 -0.15 3.17 0.08 -0.76 -4.89 117.98 118.19 2jpi s PHE 2 Ca 0.00 -0.10 -0.07 0.00 0.12 0.00 0.00 56.93 56.88 2jpi s PHE 2 Cb 0.00 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.82 2jpi s PHE 2 CO 0.00 -0.84 0.34 0.50 -0.10 0.00 0.00 175.22 175.12 2jpi s ARG 3 N -4.71 0.28 0.31 0.44 6.06 -0.25 -3.55 118.95 117.53 2jpi s ARG 3 Ca 0.57 0.78 0.10 0.00 -2.50 0.00 0.00 55.73 54.68 2jpi s ARG 3 Cb -0.10 0.03 -0.05 0.00 0.06 0.00 0.00 34.95 34.89 2jpi s ARG 3 CO 0.38 -0.21 -0.03 0.45 -2.50 0.00 0.00 175.30 173.39 2jpi s SER 4 N 1.87 4.15 -0.10 -2.12 0.15 -1.26 -3.25 113.70 113.14 2jpi s SER 4 Ca -0.05 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 55.62 2jpi s SER 4 Cb -0.10 -0.56 0.05 0.00 -1.71 0.00 0.00 66.02 63.70 2jpi s SER 4 CO -0.11 -0.14 0.23 0.42 1.20 0.00 0.00 173.24 174.84 2jpi s THR 5 N -2.48 -0.18 -0.15 6.45 -4.23 -1.26 -3.52 115.64 110.27 2jpi s THR 5 Ca 0.33 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 61.02 2jpi s THR 5 Cb -0.02 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 2jpi s THR 5 CO 0.19 0.09 -0.00 -0.55 -0.54 0.00 0.00 174.62 173.81 2jpi s SER 6 N 1.73 5.13 -0.12 3.99 0.15 -0.44 -3.83 113.70 120.31 2jpi s SER 6 Ca -0.05 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.60 2jpi s SER 6 Cb -0.11 -1.78 -0.01 0.00 -1.71 0.00 0.00 66.02 62.41 2jpi s SER 6 CO -0.08 0.21 -0.15 -1.38 1.20 0.00 0.00 173.24 173.05 2jpi s HIS 7 N 0.12 2.77 0.03 3.44 -3.43 -1.25 -1.64 115.29 115.34 2jpi s HIS 7 Ca 0.01 -0.67 -0.01 0.00 -0.80 0.00 0.00 55.06 53.59 2jpi s HIS 7 Cb -0.13 -1.81 -0.03 0.00 -1.43 0.00 0.00 32.58 29.18 2jpi s HIS 7 CO 0.02 -0.22 -0.02 0.08 -2.00 0.00 0.00 174.74 172.60 2jpi s VAL 8 N 0.29 0.14 -0.45 -5.38 1.01 -1.12 -4.16 120.40 110.74 2jpi s VAL 8 Ca -0.11 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.54 2jpi s VAL 8 Cb -0.16 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.60 2jpi s VAL 8 CO 0.06 -0.66 0.35 -0.13 0.00 0.00 0.00 175.10 174.72 2jpi s ARG 9 N -2.28 2.91 0.14 2.72 3.00 -1.26 -2.49 118.95 121.69 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 -4.04 -0.04 0.00 0.00 0.00 0.00 34.95 30.83 2jpi s ARG 9 CO -0.04 -0.96 -0.12 -0.08 0.00 0.00 0.00 175.30 174.10 2jpi s THR 10 N 1.61 1.27 0.01 0.02 -1.32 -1.02 -4.98 115.64 111.23 2jpi s THR 10 Ca 0.04 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 2jpi s THR 10 Cb -0.23 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 2jpi s THR 10 CO 0.06 -0.58 0.07 -1.61 -2.21 0.00 0.00 174.62 170.36 2jpi s GLU 11 N -3.20 3.02 -1.87 7.08 2.02 -1.26 -2.30 118.70 122.18 2jpi s GLU 11 Ca 0.13 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2jpi s GLU 11 Cb -0.01 -2.83 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 0.00 175.26 176.39 2jpi n SER 12 N 1.12 -5.68 -0.12 -0.19 2.88 0.75 -4.89 113.62 107.51 2jpi n SER 12 Ca -0.13 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.51 2jpi n SER 12 Cb 0.53 -4.81 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 0.71 0.16 -0.44 -1.46 0.00 -1.72 -2.29 119.26 114.23 2jpi h ALA 13 Ca -0.46 0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.72 2jpi h ALA 13 Cb 1.35 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2jpi h ALA 13 CO 0.58 -0.52 0.88 0.00 0.00 0.00 0.00 179.25 180.18 2jpi h ALA 14 N 1.24 2.26 0.14 0.00 0.00 -1.65 0.37 119.26 121.60 2jpi h ALA 14 Ca 0.20 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 2jpi h ALA 14 Cb 0.39 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jpi h ALA 14 CO -0.46 -1.10 -1.33 -0.09 0.00 0.00 0.00 179.25 176.27 2jpi h ARG 15 N 0.00 0.30 0.00 0.00 9.65 -1.72 -2.83 114.38 119.78 2jpi h ARG 15 Ca 0.21 -0.51 -0.04 0.00 -1.10 0.00 0.00 59.98 58.53 2jpi h ARG 15 Cb 1.96 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 30.72 2jpi h ARG 15 CO -0.00 1.23 -0.19 1.88 2.80 0.00 0.00 179.97 185.68 2jpi h TYR 16 N 0.08 0.00 0.11 2.20 0.05 -0.39 -2.34 116.97 116.67 2jpi h TYR 16 Ca -0.17 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.37 2jpi h TYR 16 Cb 2.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.75 2jpi h TYR 16 CO 0.07 0.19 -1.19 0.28 -1.05 0.00 0.00 178.16 176.46 2jpi h VAL 17 N 0.00 1.18 -0.10 -2.88 2.07 -1.58 -3.29 116.25 111.65 2jpi h VAL 17 Ca -0.00 -2.42 -0.11 0.00 0.82 0.00 0.00 66.70 64.99 2jpi h VAL 17 Cb 0.79 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2jpi h VAL 17 CO 0.03 0.68 -0.44 0.78 0.02 0.00 0.00 177.57 178.64 2jpi h ASN 18 N -0.39 0.24 1.82 0.57 2.35 -1.52 -3.11 115.58 115.54 2jpi h ASN 18 Ca -0.25 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2jpi h ASN 18 Cb 1.67 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.97 2jpi h ASN 18 CO 0.06 0.65 -0.05 0.03 -1.65 0.00 0.00 177.43 176.47 2jpi h ARG 19 N 0.19 0.00 -0.11 0.81 -0.00 -1.59 -3.34 114.38 110.34 2jpi h ARG 19 Ca 0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 2jpi h ARG 19 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.82 2jpi h ARG 19 CO 0.07 0.00 -0.01 -0.07 0.00 0.00 0.00 179.97 179.96 2jpi h LEU 20 N 0.00 0.20 -0.89 3.04 3.38 -1.61 -2.02 115.31 117.42 2jpi h LEU 20 Ca 0.00 -0.32 0.22 0.00 0.09 0.00 0.00 57.88 57.87 2jpi h LEU 20 Cb 0.94 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 2jpi h LEU 20 CO 0.00 0.47 0.37 0.00 0.09 0.00 0.00 178.44 179.37 2jpi h LYS 22 N 0.37 0.00 0.00 0.00 1.57 -1.73 -0.37 116.57 116.41 2jpi h LYS 22 Ca 0.56 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 2jpi h LYS 22 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2jpi h LYS 22 CO -0.54 0.00 -0.20 1.25 -0.57 0.00 0.00 179.45 179.38 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.17 -3.38 115.15 113.34 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 0.90 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.86 2jpi h HIS 23 CO 0.00 0.13 -0.39 0.91 -1.30 0.00 0.00 177.93 177.27 2jpi n TRP 24 N -4.71 0.40 -0.93 5.26 7.02 0.14 -4.58 117.44 120.04 2jpi n TRP 24 Ca -0.04 0.12 -0.40 0.00 -1.02 0.00 0.00 57.50 56.16 2jpi n TRP 24 Cb 0.14 -0.58 -0.06 0.00 -2.42 0.00 0.00 31.31 28.38 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 1.40 2.16 0.05 6.99 0.00 -0.15 -4.12 105.19 111.51 2jpi n GLY 25 Ca 0.05 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 7.40 0.00 -2.04 1.61 8.25 -1.26 -4.79 115.22 124.38 2jpi n HIS 26 Ca 0.47 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2jpi n HIS 26 Cb 0.37 -0.44 -0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.46 0.00 -4.05 -0.41 0.00 -1.26 -5.11 118.16 104.87 2jpi n LYS 27 Ca -0.16 -0.74 -0.08 0.00 0.00 0.00 0.00 58.31 57.34 2jpi n LYS 27 Cb 0.77 -0.23 -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 0.44 -0.25 5.64 0.08 -1.26 -5.11 117.98 117.52 2jpi s PHE 28 Ca 0.03 -0.91 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 2jpi s PHE 28 Cb 0.03 -0.33 -0.00 0.00 -0.57 0.00 0.00 43.02 42.15 2jpi s PHE 28 CO -0.01 -0.33 1.29 -1.83 -0.10 0.00 0.00 175.22 174.23 2jpi s GLU 29 N -3.20 4.04 -0.18 0.44 1.03 -1.26 -4.71 118.70 114.85 2jpi s GLU 29 Ca 0.00 1.41 0.00 0.00 0.03 0.00 0.00 54.97 56.41 2jpi s GLU 29 Cb 0.03 -3.83 0.04 0.00 -0.80 0.00 0.00 34.13 29.56 2jpi s GLU 29 CO -0.07 -0.96 -0.08 0.14 -1.33 0.00 0.00 175.26 172.96 2jpi s VAL 30 N 4.04 1.35 0.33 1.83 -7.23 -1.25 -3.18 120.40 116.28 2jpi s VAL 30 Ca 0.56 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2jpi s VAL 30 Cb -0.19 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2jpi s VAL 30 CO 0.20 0.16 0.57 -0.70 -0.31 0.00 0.00 175.10 175.01 2jpi s GLU 31 N 1.53 3.55 -0.18 4.82 2.12 0.36 -4.92 118.70 125.98 2jpi s GLU 31 Ca 0.00 -0.14 -0.05 0.00 0.36 0.00 0.00 54.97 55.15 2jpi s GLU 31 Cb -0.15 -2.64 0.07 0.00 0.26 0.00 0.00 34.13 31.67 2jpi s GLU 31 CO -0.08 0.15 0.11 -1.17 -0.54 0.00 0.00 175.26 173.74 2jpi s LEU 32 N -3.98 0.28 0.12 2.70 0.20 -1.26 -2.83 118.68 113.90 2jpi s LEU 32 Ca 0.42 -0.59 0.07 0.00 0.69 0.00 0.00 54.13 54.72 2jpi s LEU 32 Cb -0.10 -0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 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 2.17 1.43 -0.44 3.68 -4.23 -1.03 -5.02 115.64 112.19 2jpi s THR 33 Ca 0.03 -1.66 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 2jpi s THR 33 Cb -0.16 -1.51 -0.12 0.00 1.34 0.00 0.00 72.50 72.05 2jpi s THR 33 CO -0.11 -0.31 2.37 -0.81 -0.54 0.00 0.00 174.62 175.22 2jpi n PRO 34 N 0.70 1.72 0.00 3.99 -0.04 -1.26 -2.31 135.00 137.80 2jpi n PRO 34 Ca -0.17 -1.03 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 3.30 0.00 -3.70 0.54 1.02 -1.26 -5.03 120.64 115.51 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 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.80 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 -0.90 0.88 0.10 3.49 1.70 -0.98 -0.72 118.95 122.53 2jpi s ARG 36 Ca 0.00 -0.48 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 34.65 2jpi s ARG 36 CO 0.00 -0.40 -0.14 0.20 -1.08 0.00 0.00 175.30 173.88 2jpi s GLY 37 N -2.93 1.73 -0.16 3.88 0.00 -0.60 -2.48 107.32 106.77 2jpi s GLY 37 Ca 0.13 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 2jpi s GLY 37 CO -0.00 -1.25 -0.08 -0.12 0.00 0.00 0.00 173.10 171.66 2jpi s PHE 38 N -1.16 1.82 -0.28 1.90 5.36 -1.13 -2.07 117.98 122.43 2jpi s PHE 38 Ca 0.19 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.05 2jpi s PHE 38 Cb -0.11 -1.38 0.09 0.00 -0.34 0.00 0.00 43.02 41.28 2jpi s PHE 38 CO 0.11 -0.62 0.07 0.42 -1.46 0.00 0.00 175.22 173.74 2jpi s ILE 39 N 1.60 0.87 -0.15 3.12 1.01 -1.11 -0.49 121.20 126.05 2jpi s ILE 39 Ca 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 2jpi s ILE 39 Cb -0.15 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 2jpi s ILE 39 CO -0.08 -0.52 0.00 1.51 0.00 0.00 0.00 174.94 175.85 2jpi s ASP 40 N 1.64 5.14 -0.03 3.58 -4.77 -1.19 -1.45 116.67 119.60 2jpi s ASP 40 Ca 0.06 -0.01 0.19 0.00 -3.30 0.00 0.00 52.55 49.50 2jpi s ASP 40 Cb -0.17 -1.77 0.59 0.00 -1.09 0.00 0.00 42.92 40.48 2jpi s ASP 40 CO -0.20 0.22 1.49 0.49 0.70 0.00 0.00 175.17 177.88 2jpi n PHE 41 N 3.22 0.99 0.00 2.11 3.01 -0.54 -4.23 117.46 122.02 2jpi n PHE 41 Ca -0.17 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 57.82 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 1.42 0.95 2.38 1.37 0.00 -1.26 -4.68 105.19 105.37 2jpi n GLY 42 Ca 0.22 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 1.77 6.46 0.00 1.61 2.03 -1.26 -4.79 116.55 122.38 2jpi n ASP 43 Ca 0.00 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.28 2jpi n ASP 43 Cb 0.00 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jpi n SER 44 N 1.38 0.00 -3.92 1.67 3.41 -1.26 -4.39 113.62 110.52 2jpi n SER 44 Ca 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.02 2jpi n SER 44 Cb 0.58 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.09 -0.28 4.04 0.01 0.32 -1.46 114.94 117.48 2jpi s ASN 45 Ca 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.36 2jpi s ASN 45 Cb 0.00 0.53 0.15 0.00 0.41 0.00 0.00 41.25 42.34 2jpi s ASN 45 CO 0.00 -1.03 0.38 0.00 -1.51 0.00 0.00 177.10 174.94 2jpi s GLU 47 N 2.51 3.14 -0.05 0.00 2.12 0.13 -2.76 118.70 123.80 2jpi s GLU 47 Ca 0.10 -0.68 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 2jpi s GLU 47 Cb -0.13 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.47 2jpi s GLU 47 CO -0.27 0.53 0.10 -0.48 -0.54 0.00 0.00 175.26 174.61 2jpi s LEU 48 N -2.88 0.28 -0.10 2.70 2.34 -0.88 -1.84 118.68 118.30 2jpi s LEU 48 Ca 0.32 0.18 -0.21 0.00 0.06 0.00 0.00 54.13 54.49 2jpi s LEU 48 Cb -0.11 0.06 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 2jpi s LEU 48 CO 0.25 -0.22 0.59 -0.22 -1.06 0.00 0.00 176.35 175.69 2jpi s LEU 49 N 1.93 4.29 -0.19 1.48 2.96 0.36 -1.55 118.68 127.96 2jpi s LEU 49 Ca 0.01 0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2jpi s LEU 49 Cb -0.12 -2.88 0.06 0.00 0.50 0.00 0.00 46.19 43.75 2jpi s LEU 49 CO -0.04 -0.06 0.06 0.00 -1.32 0.00 0.00 176.35 174.98 2jpi s ALA 50 N 0.74 0.84 0.15 5.97 0.00 0.10 0.10 121.76 129.66 2jpi s ALA 50 Ca 0.31 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2jpi s ALA 50 Cb -0.16 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2jpi s ALA 50 CO 0.14 -1.20 -0.07 -1.58 0.00 0.00 0.00 175.76 173.05 2jpi s HIS 51 N 1.94 2.74 0.65 0.00 2.46 0.28 -2.88 115.29 120.49 2jpi s HIS 51 Ca 0.00 -0.17 0.06 0.00 0.47 0.00 0.00 55.06 55.43 2jpi s HIS 51 Cb -0.17 -1.37 0.28 0.00 -0.13 0.00 0.00 32.58 31.19 2jpi s HIS 51 CO -0.09 0.48 1.13 -1.35 -2.47 0.00 0.00 174.74 172.44 2jpi h PRO 52 N 3.11 0.00 0.00 2.88 0.11 -1.91 -1.18 132.00 135.01 2jpi h PRO 52 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jpi h PRO 52 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jpi h PRO 52 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 2jpi n ASP 53 N -2.64 0.11 -3.90 -2.05 5.75 -1.20 -0.17 116.55 112.45 2jpi n ASP 53 Ca 0.03 -0.58 -0.09 0.00 -0.01 0.00 0.00 54.79 54.14 2jpi n ASP 53 Cb 1.00 0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 41.11 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2jpi s HIS 54 N -0.10 0.19 -0.01 2.11 -3.43 -0.45 -2.44 115.29 111.16 2jpi s HIS 54 Ca 0.00 -0.54 -0.00 0.00 -0.80 0.00 0.00 55.06 53.72 2jpi s HIS 54 Cb 0.00 -0.12 0.01 0.00 -1.43 0.00 0.00 32.58 31.05 2jpi s HIS 54 CO 0.00 -0.44 0.02 0.54 -2.00 0.00 0.00 174.74 172.86 2jpi s VAL 55 N -3.16 -0.02 0.01 -5.38 0.11 -1.04 0.10 120.40 111.03 2jpi s VAL 55 Ca -0.00 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.19 2jpi s VAL 55 Cb 0.02 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.80 2jpi s VAL 55 CO -0.07 0.03 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.79 2jpi s LEU 56 N 0.40 2.59 -0.19 2.54 1.43 0.28 -2.79 118.68 122.95 2jpi s LEU 56 Ca -0.03 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2jpi s LEU 56 Cb -0.05 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.70 2jpi s LEU 56 CO -0.01 0.28 -0.07 -0.04 0.23 0.00 0.00 176.35 176.75 2jpi s MET 57 N -1.18 1.64 -0.03 1.70 -1.94 -0.65 0.14 119.30 118.98 2jpi s MET 57 Ca 0.13 -0.70 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 2jpi s MET 57 Cb -0.10 -2.24 -0.01 0.00 2.01 0.00 0.00 34.83 34.49 2jpi s MET 57 CO 0.03 -0.46 -0.18 0.42 -0.01 0.00 0.00 175.02 174.82 2jpi s ILE 58 N 1.52 1.47 0.07 2.53 1.01 -0.77 -1.33 121.20 125.70 2jpi s ILE 58 Ca -0.01 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.97 2jpi s ILE 58 Cb -0.16 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2jpi s ILE 58 CO -0.08 0.42 -0.26 -1.48 0.00 0.00 0.00 174.94 173.54 2jpi s LEU 59 N -0.21 2.21 -0.31 2.97 -0.00 -1.23 -0.69 118.68 121.41 2jpi s LEU 59 Ca 0.02 -0.62 0.03 0.00 -0.00 0.00 0.00 54.13 53.55 2jpi s LEU 59 Cb -0.09 -1.23 0.09 0.00 -0.00 0.00 0.00 46.19 44.95 2jpi s LEU 59 CO 0.01 0.23 0.02 0.20 -0.00 0.00 0.00 176.35 176.80 2jpi s ASN 60 N -1.44 4.46 -0.10 1.48 -0.87 -0.92 -4.12 114.94 113.42 2jpi s ASN 60 Ca 0.12 -1.82 -0.07 0.00 -1.57 0.00 0.00 52.86 49.52 2jpi s ASN 60 Cb -0.10 -1.42 0.04 0.00 -0.02 0.00 0.00 41.25 39.75 2jpi s ASN 60 CO 0.03 -0.34 0.26 -0.44 -2.57 0.00 0.00 177.10 174.04 2jpi s SER 61 N 1.12 -0.28 0.13 -1.22 0.01 -1.23 0.12 113.70 112.35 2jpi s SER 61 Ca 0.05 0.54 0.12 0.00 1.31 0.00 0.00 55.95 57.97 2jpi s SER 61 Cb -0.19 0.48 0.58 0.00 0.21 0.00 0.00 66.02 67.10 2jpi s SER 61 CO -0.10 -0.13 1.37 -0.81 0.41 0.00 0.00 173.24 173.97 2jpi n PRO 62 N 3.67 0.07 -3.93 12.44 -0.04 -1.26 -1.83 135.00 144.11 2jpi n PRO 62 Ca -0.20 0.49 -0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2jpi n PRO 62 Cb 0.55 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 2jpi n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jpi s ASP 63 N -3.46 0.17 0.19 3.54 1.01 -1.26 -3.88 116.67 112.97 2jpi s ASP 63 Ca 0.01 -0.45 -0.12 0.00 0.71 0.00 0.00 52.55 52.70 2jpi s ASP 63 Cb 0.05 0.18 0.11 0.00 1.01 0.00 0.00 42.92 44.27 2jpi s ASP 63 CO 0.15 -0.41 1.86 -0.33 0.21 0.00 0.00 175.17 176.65 2jpi h GLU 64 N 4.10 0.84 -0.49 8.23 3.07 -1.97 0.77 114.58 129.13 2jpi h GLU 64 Ca -0.32 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.58 2jpi h GLU 64 Cb 1.19 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.81 2jpi h GLU 64 CO 0.45 0.55 -0.34 0.22 -1.40 0.00 0.00 179.01 178.49 2jpi h ASP 65 N 0.86 -1.17 0.62 1.42 1.82 -1.97 1.43 116.42 119.42 2jpi h ASP 65 Ca 0.23 0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 57.06 2jpi h ASP 65 Cb -0.10 0.56 0.01 0.00 0.68 0.00 0.00 39.33 40.48 2jpi h ASP 65 CO -0.05 -0.32 -0.30 0.28 -1.61 0.00 0.00 179.24 177.24 2jpi h SER 66 N -0.22 -0.70 -0.98 2.28 0.02 -1.86 0.17 113.55 112.26 2jpi h SER 66 Ca 0.20 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 2jpi h SER 66 Cb 0.55 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.61 -0.42 -0.58 -0.11 -1.14 0.00 0.00 176.83 173.97 2jpi n LEU 67 N -5.40 -1.04 0.04 5.07 0.00 0.26 0.32 117.00 116.25 2jpi n LEU 67 Ca -0.13 1.76 -0.02 0.00 0.00 0.00 0.00 56.01 57.63 2jpi n LEU 67 Cb 0.35 -0.24 0.26 0.00 0.00 0.00 0.00 43.42 43.79 2jpi n LEU 67 CO 0.35 -1.43 0.80 0.00 0.00 0.00 0.00 177.39 177.11 2jpi h ALA 68 N 0.47 1.23 -0.90 1.96 0.00 0.19 -2.04 119.26 120.16 2jpi h ALA 68 Ca 0.16 -0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.91 2jpi h ALA 68 Cb 0.40 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2jpi h ALA 68 CO -0.92 0.50 0.58 1.25 0.00 0.00 0.00 179.25 180.66 2jpi h HIS 69 N 0.39 0.85 0.00 0.00 -0.00 0.20 0.18 115.15 116.78 2jpi h HIS 69 Ca 0.07 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 2jpi h HIS 69 Cb 0.55 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2jpi h HIS 69 CO 0.02 0.31 -0.07 0.52 -0.00 0.00 0.00 177.93 178.70 2jpi h MET 70 N 0.72 0.00 -0.44 5.26 2.86 -0.60 -2.57 114.93 120.16 2jpi h MET 70 Ca 0.46 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.22 2jpi h MET 70 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 2jpi h MET 70 CO -0.21 0.22 0.41 -0.56 1.06 0.00 0.00 176.91 177.82 2jpi h GLN 71 N -1.00 0.00 0.07 1.72 3.07 -1.23 -1.62 115.11 116.12 2jpi h GLN 71 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.59 2jpi h GLN 71 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.83 2jpi h GLN 71 CO -0.01 0.00 -0.70 -0.97 0.09 0.00 0.00 178.83 177.25 2jpi h ASN 72 N 0.00 0.24 -0.95 0.06 -0.73 -0.75 -3.12 115.58 110.32 2jpi h ASN 72 Ca 0.21 -0.90 0.26 0.00 1.87 0.00 0.00 56.30 57.74 2jpi h ASN 72 Cb 1.03 -0.08 -0.14 0.00 0.27 0.00 0.00 38.32 39.40 2jpi h ASN 72 CO -0.00 1.31 0.46 0.58 -0.37 0.00 0.00 177.43 179.41 2jpi h VAL 73 N -0.64 0.40 -0.08 2.57 2.07 -0.87 0.32 116.25 120.02 2jpi h VAL 73 Ca -0.15 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 2jpi h VAL 73 Cb 1.41 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2jpi h VAL 73 CO 0.04 0.07 -0.15 0.58 0.02 0.00 0.00 177.57 178.13 2jpi h VAL 74 N 0.38 1.40 -0.98 2.57 2.07 -1.61 -2.92 116.25 117.16 2jpi h VAL 74 Ca 0.63 -1.44 0.28 0.00 0.82 0.00 0.00 66.70 67.00 2jpi h VAL 74 Cb 1.30 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 2jpi h VAL 74 CO -0.57 0.41 0.80 0.00 0.02 0.00 0.00 177.57 178.23 2jpi h ALA 75 N 0.50 2.87 -0.00 1.67 0.00 -0.90 0.65 119.26 124.04 2jpi h ALA 75 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2jpi h ALA 75 Cb 0.73 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jpi h ALA 75 CO 0.03 -1.31 -0.78 0.22 0.00 0.00 0.00 179.25 177.41 2jpi h ASP 76 N 0.00 0.69 -0.80 0.00 1.82 -1.16 -3.06 116.42 113.92 2jpi h ASP 76 Ca 0.47 -0.75 0.02 0.00 -0.39 0.00 0.00 57.03 56.38 2jpi h ASP 76 Cb 2.06 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 41.82 2jpi h ASP 76 CO -0.00 1.35 0.52 0.45 -1.61 0.00 0.00 179.24 179.95 2jpi h HIS 77 N 0.11 0.98 0.00 0.28 3.86 0.45 -0.56 115.15 120.26 2jpi h HIS 77 Ca -0.10 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 2jpi h HIS 77 Cb 1.47 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 2jpi h HIS 77 CO 0.13 0.58 -0.18 -0.07 0.86 0.00 0.00 177.93 179.25 2jpi h LEU 78 N 1.03 0.00 -0.08 2.43 3.38 -1.43 -2.86 115.31 117.77 2jpi h LEU 78 Ca 0.31 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.08 2jpi h LEU 78 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jpi h LEU 78 CO -0.10 0.18 -0.73 -0.61 0.09 0.00 0.00 178.44 177.27 2jpi h GLN 79 N 0.00 0.64 -0.31 1.13 4.15 -1.01 -2.35 115.11 117.36 2jpi h GLN 79 Ca -0.00 -0.58 -0.07 0.00 0.77 0.00 0.00 58.65 58.77 2jpi h GLN 79 Cb 0.46 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2jpi h GLN 79 CO 0.02 1.19 -0.11 0.00 -1.93 0.00 0.00 178.83 178.01 2jpi h ARG 80 N 0.30 0.53 0.00 1.69 3.08 -1.19 -2.19 114.38 116.60 2jpi h ARG 80 Ca -0.07 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2jpi h ARG 80 Cb 1.38 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2jpi h ARG 80 CO 0.15 0.64 -0.07 0.00 -1.07 0.00 0.00 179.97 179.61 2jpi n MET 81 N -4.21 0.18 -3.60 0.04 0.00 -1.10 -4.45 117.12 103.99 2jpi n MET 81 Ca 0.01 0.13 -0.29 0.00 0.00 0.00 0.00 57.70 57.55 2jpi n MET 81 Cb 0.32 -1.69 -0.12 0.00 0.00 0.00 0.00 33.22 31.72 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 -3.07 1.76 -0.31 3.17 0.00 -0.82 -5.09 121.76 117.39 2jpi s ALA 82 Ca 0.11 -2.42 -0.28 0.00 0.00 0.00 0.00 51.96 49.38 2jpi s ALA 82 Cb 0.15 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2jpi s ALA 82 CO 0.59 -2.07 1.03 1.21 0.00 0.00 0.00 175.76 176.52 2jpi s ASN 83 N 0.44 6.90 0.00 0.00 2.47 -1.24 -4.29 114.94 119.22 2jpi s ASN 83 Ca 0.20 1.01 0.00 0.00 0.42 0.00 0.00 52.86 54.49 2jpi s ASN 83 Cb -0.19 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2jpi s ASN 83 CO -0.03 -0.83 0.00 -1.20 -3.72 0.00 0.00 177.10 171.32 2jpi n SER 84 N 6.73 0.00 -3.71 -4.21 7.64 -1.26 -5.15 113.62 113.66 2jpi n SER 84 Ca 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.93 2jpi n SER 84 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jpi s GLU 85 N 0.00 1.33 -0.92 1.43 1.03 -1.26 -5.05 118.70 115.26 2jpi s GLU 85 Ca 0.00 -0.68 -0.21 0.00 0.03 0.00 0.00 54.97 54.11 2jpi s GLU 85 Cb 0.00 0.49 -0.12 0.00 -0.80 0.00 0.00 34.13 33.70 2jpi s GLU 85 CO 0.00 -0.60 1.98 0.43 -1.33 0.00 0.00 175.26 175.73 2jpi n SER 86 N -0.42 2.82 -0.27 0.83 7.64 -1.26 -4.74 113.62 118.22 2jpi n SER 86 Ca -0.07 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.10 2jpi n SER 86 Cb 0.61 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 7.63 -0.15 -4.55 -3.43 7.99 -1.26 -4.62 117.00 118.61 2jpi n LEU 87 Ca 0.50 0.12 -0.37 0.00 -0.01 0.00 0.00 56.01 56.25 2jpi n LEU 87 Cb 0.41 -0.18 -0.03 0.00 -0.11 0.00 0.00 43.42 43.50 2jpi n LEU 87 CO 0.99 -0.22 1.53 -0.70 -1.51 0.00 0.00 177.39 177.48 2jpi s GLU 88 N 0.00 2.68 -0.05 3.23 2.12 -1.26 -4.92 118.70 120.49 2jpi s GLU 88 Ca 0.00 0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.71 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 -2.78 -0.06 0.96 -0.54 0.00 0.00 175.26 172.83 2jpi s ILE 89 N 8.90 0.70 -0.42 -3.70 -0.00 -1.26 -4.83 121.20 120.60 2jpi s ILE 89 Ca 0.65 -0.21 -0.19 0.00 -0.00 0.00 0.00 60.65 60.89 2jpi s ILE 89 Cb -0.11 -0.70 0.02 0.00 -0.00 0.00 0.00 42.46 41.67 2jpi s ILE 89 CO 0.16 0.26 0.56 0.00 -0.00 0.00 0.00 174.94 175.93 2jpi s ALA 90 N 0.90 3.39 -0.14 2.27 0.00 -1.26 -5.00 121.76 121.92 2jpi s ALA 90 Ca -0.11 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 2jpi s ALA 90 Cb -0.15 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2jpi s ALA 90 CO 0.01 -1.64 0.29 1.67 0.00 0.00 0.00 175.76 176.08 2jpi s TRP 91 N 2.56 3.50 0.34 0.00 1.48 -1.26 -3.83 118.94 121.73 2jpi s TRP 91 Ca 0.19 0.62 -0.08 0.00 -1.06 0.00 0.00 56.10 55.77 2jpi s TRP 91 Cb -0.15 -2.30 -0.06 0.00 -1.16 0.00 0.00 33.47 29.81 2jpi s TRP 91 CO 0.17 0.32 0.66 -0.65 -4.06 0.00 0.00 176.95 173.39 2jpi s GLN 92 N 0.18 3.71 0.37 3.25 -0.21 -1.25 -4.97 119.66 120.73 2jpi s GLN 92 Ca 0.17 0.23 0.16 0.00 0.02 0.00 0.00 55.36 55.94 2jpi s GLN 92 Cb -0.13 -2.52 1.05 0.00 1.00 0.00 0.00 33.01 32.41 2jpi s GLN 92 CO 0.05 0.09 1.73 -1.35 -2.12 0.00 0.00 175.29 173.69 2jpi h PRO 93 N 1.48 0.41 -0.09 2.91 0.11 -1.95 -3.42 132.00 131.46 2jpi h PRO 93 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.65 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2jpi n ALA 94 N -2.40 0.00 -3.09 -0.75 0.00 -1.26 -4.80 120.51 108.21 2jpi n ALA 94 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 2jpi n ALA 94 Cb 0.89 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.71 0.45 0.00 0.00 2.12 -1.20 -1.09 118.70 118.28 2jpi s GLU 95 Ca 0.00 -0.39 0.27 0.00 0.36 0.00 0.00 54.97 55.22 2jpi s GLU 95 Cb 0.00 0.19 0.94 0.00 0.26 0.00 0.00 34.13 35.52 2jpi s GLU 95 CO 0.00 -0.11 1.68 0.45 -0.54 0.00 0.00 175.26 176.75