#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 2.75 -0.14 3.17 0.08 0.08 -4.90 117.98 119.02 2jpi s PHE 2 Ca 0.00 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.58 2jpi s PHE 2 Cb 0.00 -2.38 0.06 0.00 -0.57 0.00 0.00 43.02 40.14 2jpi s PHE 2 CO 0.00 -0.45 0.31 0.50 -0.10 0.00 0.00 175.22 175.47 2jpi s ARG 3 N -4.37 0.23 0.31 0.44 6.06 -0.69 -3.45 118.95 117.49 2jpi s ARG 3 Ca 0.55 0.73 0.09 0.00 -2.50 0.00 0.00 55.73 54.61 2jpi s ARG 3 Cb -0.10 -0.00 -0.05 0.00 0.06 0.00 0.00 34.95 34.86 2jpi s ARG 3 CO 0.33 -0.22 -0.01 0.45 -2.50 0.00 0.00 175.30 173.35 2jpi s SER 4 N 1.91 4.24 -0.10 -2.12 0.15 -1.26 -3.75 113.70 112.76 2jpi s SER 4 Ca -0.04 -0.89 -0.05 0.00 0.70 0.00 0.00 55.95 55.67 2jpi s SER 4 Cb -0.11 -0.60 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2jpi s SER 4 CO -0.10 -0.14 0.23 0.42 1.20 0.00 0.00 173.24 174.84 2jpi s THR 5 N -2.46 -0.15 -0.13 6.45 -4.23 -1.26 -3.55 115.64 110.31 2jpi s THR 5 Ca 0.33 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 2jpi s THR 5 Cb -0.03 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 2jpi s THR 5 CO 0.19 0.08 -0.05 -0.44 -0.54 0.00 0.00 174.62 173.87 2jpi s SER 6 N 1.60 4.75 -0.11 3.99 0.01 -0.32 -3.71 113.70 119.92 2jpi s SER 6 Ca -0.06 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.12 2jpi s SER 6 Cb -0.11 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 2jpi s SER 6 CO -0.08 0.22 -0.19 -2.28 0.41 0.00 0.00 173.24 171.32 2jpi s HIS 7 N 0.05 2.66 0.03 2.43 2.46 -1.26 -1.05 115.29 120.61 2jpi s HIS 7 Ca -0.00 -0.82 -0.01 0.00 0.47 0.00 0.00 55.06 54.70 2jpi s HIS 7 Cb -0.13 -1.75 -0.03 0.00 -0.13 0.00 0.00 32.58 30.54 2jpi s HIS 7 CO 0.03 -0.29 -0.02 0.08 -2.47 0.00 0.00 174.74 172.06 2jpi s VAL 8 N 0.25 0.15 -0.47 0.89 1.01 -1.01 -4.28 120.40 116.95 2jpi s VAL 8 Ca -0.13 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 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 0.07 -0.66 0.41 -0.13 0.00 0.00 0.00 175.10 174.79 2jpi s ARG 9 N -2.30 3.00 0.13 2.72 3.00 -1.26 -2.22 118.95 122.01 2jpi s ARG 9 Ca -0.08 -1.25 0.05 0.00 0.00 0.00 0.00 55.73 54.45 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 -1.02 -0.12 -0.08 0.00 0.00 0.00 175.30 174.04 2jpi s THR 10 N 1.77 1.25 0.00 0.02 -1.32 -1.02 -4.98 115.64 111.37 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 -0.23 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.08 -0.56 0.07 -1.61 -2.21 0.00 0.00 174.62 170.39 2jpi s GLU 11 N -3.12 3.01 -1.98 7.08 2.02 -1.26 -2.18 118.70 122.27 2jpi s GLU 11 Ca 0.12 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.59 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 0.00 175.26 176.39 2jpi n SER 12 N 1.17 -5.75 -0.07 -0.19 2.88 0.43 -4.89 113.62 107.19 2jpi n SER 12 Ca -0.13 0.22 -0.08 0.00 -1.33 0.00 0.00 58.87 57.55 2jpi n SER 12 Cb 0.53 -4.90 -0.01 0.00 -0.75 0.00 0.00 64.21 59.07 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 0.56 -0.14 -1.13 -1.46 0.00 -1.70 -2.49 119.26 112.90 2jpi h ALA 13 Ca -0.47 0.09 0.33 0.00 0.00 0.00 0.00 54.91 54.86 2jpi h ALA 13 Cb 1.36 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 2jpi h ALA 13 CO 0.60 -0.68 1.16 0.00 0.00 0.00 0.00 179.25 180.33 2jpi h ALA 14 N 0.80 3.04 0.22 0.00 0.00 -1.53 0.35 119.26 122.14 2jpi h ALA 14 Ca 0.15 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 2jpi h ALA 14 Cb 0.49 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jpi h ALA 14 CO -0.44 -1.74 -1.50 -0.09 0.00 0.00 0.00 179.25 175.48 2jpi h ARG 15 N 0.00 0.46 0.00 0.00 1.12 -1.74 -2.89 114.38 111.33 2jpi h ARG 15 Ca 0.54 -0.79 -0.03 0.00 -1.11 0.00 0.00 59.98 58.59 2jpi h ARG 15 Cb 2.85 0.29 -0.00 0.00 -0.01 0.00 0.00 29.97 33.10 2jpi h ARG 15 CO -0.01 1.37 -0.14 1.88 -3.11 0.00 0.00 179.97 179.97 2jpi h TYR 16 N 0.13 0.00 0.14 2.20 0.05 -0.40 0.10 116.97 119.18 2jpi h TYR 16 Ca -0.25 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.34 2jpi h TYR 16 Cb 2.12 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.88 2jpi h TYR 16 CO 0.11 0.14 -0.83 0.28 -1.05 0.00 0.00 178.16 176.81 2jpi h VAL 17 N 0.00 1.49 0.00 -2.88 2.07 -1.55 -3.26 116.25 112.12 2jpi h VAL 17 Ca -0.00 -2.53 -0.11 0.00 0.82 0.00 0.00 66.70 64.88 2jpi h VAL 17 Cb 0.48 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 2jpi h VAL 17 CO 0.02 0.71 -0.54 0.78 0.02 0.00 0.00 177.57 178.56 2jpi h ASN 18 N -0.39 0.00 1.30 0.57 2.35 -1.28 -3.01 115.58 115.13 2jpi h ASN 18 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2jpi h ASN 18 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 2jpi h ASN 18 CO 0.14 0.54 0.00 -0.09 -1.65 0.00 0.00 177.43 176.37 2jpi h ARG 19 N 0.00 0.00 -0.06 0.81 9.65 -0.92 -3.26 114.38 120.60 2jpi h ARG 19 Ca -0.01 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 2jpi h ARG 19 Cb 0.96 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 2jpi h ARG 19 CO 0.07 0.00 -0.34 -0.07 2.80 0.00 0.00 179.97 182.43 2jpi h LEU 20 N 0.00 0.41 -1.57 3.80 3.38 -1.56 -1.85 115.31 117.91 2jpi h LEU 20 Ca 0.00 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.43 2jpi h LEU 20 Cb 0.65 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2jpi h LEU 20 CO 0.00 1.00 0.47 0.00 0.09 0.00 0.00 178.44 180.00 2jpi h LYS 22 N 0.46 0.00 0.00 0.00 1.57 -1.66 -1.88 116.57 115.06 2jpi h LYS 22 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2jpi h LYS 22 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2jpi h LYS 22 CO -0.11 0.03 -0.19 1.25 -0.57 0.00 0.00 179.45 179.86 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.62 -3.39 115.15 113.79 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 1.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2jpi h HIS 23 CO 0.00 0.00 -0.37 0.91 -1.30 0.00 0.00 177.93 177.17 2jpi n TRP 24 N -4.13 0.12 -0.84 5.26 5.03 0.14 -4.54 117.44 118.47 2jpi n TRP 24 Ca -0.03 0.03 -0.28 0.00 3.03 0.00 0.00 57.50 60.26 2jpi n TRP 24 Cb 0.10 -0.40 -0.03 0.00 -1.03 0.00 0.00 31.31 29.94 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 2.83 0.03 6.99 0.00 -0.70 -3.94 105.19 111.86 2jpi n GLY 25 Ca 0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 5.40 0.00 -2.03 1.61 -0.00 -1.26 -4.78 115.22 114.16 2jpi n HIS 26 Ca 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.16 2jpi n HIS 26 Cb 0.22 -0.30 -0.00 0.00 -0.00 0.00 0.00 29.99 29.91 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 -2.12 0.00 -4.15 1.57 0.00 -1.25 -5.12 118.16 107.09 2jpi n LYS 27 Ca -0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 58.31 57.52 2jpi n LYS 27 Cb 0.58 -0.20 -0.10 0.00 0.00 0.00 0.00 35.03 35.31 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 0.80 -0.80 5.64 0.08 -1.26 -5.09 117.98 117.36 2jpi s PHE 28 Ca 0.02 -0.91 -0.26 0.00 0.12 0.00 0.00 56.93 55.90 2jpi s PHE 28 Cb 0.02 -0.48 0.04 0.00 -0.57 0.00 0.00 43.02 42.02 2jpi s PHE 28 CO -0.01 -0.19 1.31 -1.83 -0.10 0.00 0.00 175.22 174.40 2jpi s GLU 29 N -3.66 3.27 -0.23 0.44 -1.05 -1.26 -4.78 118.70 111.43 2jpi s GLU 29 Ca 0.09 -0.44 -0.01 0.00 -0.15 0.00 0.00 54.97 54.46 2jpi s GLU 29 Cb 0.04 -4.42 0.02 0.00 -0.44 0.00 0.00 34.13 29.33 2jpi s GLU 29 CO -0.05 -2.15 -0.08 0.14 0.95 0.00 0.00 175.26 174.06 2jpi s VAL 30 N 5.53 2.80 0.13 1.83 -7.23 -1.25 -2.57 120.40 119.64 2jpi s VAL 30 Ca 0.37 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2jpi s VAL 30 Cb -0.07 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2jpi s VAL 30 CO 0.10 0.27 0.30 -1.61 -0.31 0.00 0.00 175.10 173.85 2jpi s GLU 31 N 1.33 3.49 -0.20 4.82 8.01 0.64 -4.93 118.70 131.87 2jpi s GLU 31 Ca 0.01 -0.38 -0.01 0.00 0.01 0.00 0.00 54.97 54.60 2jpi s GLU 31 Cb -0.16 -2.94 0.06 0.00 -4.31 0.00 0.00 34.13 26.78 2jpi s GLU 31 CO -0.06 0.51 -0.01 -1.17 0.01 0.00 0.00 175.26 174.55 2jpi s LEU 32 N -2.88 1.69 0.12 1.80 0.20 -1.26 -2.15 118.68 116.19 2jpi s LEU 32 Ca 0.37 -0.88 0.09 0.00 0.69 0.00 0.00 54.13 54.40 2jpi s LEU 32 Cb -0.12 -0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 44.77 2jpi s LEU 32 CO 0.28 -0.26 -0.23 0.42 -0.29 0.00 0.00 176.35 176.27 2jpi s THR 33 N 1.67 1.92 -0.39 3.68 -4.23 -1.01 -5.02 115.64 112.26 2jpi s THR 33 Ca -0.02 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 58.79 2jpi s THR 33 Cb -0.17 -1.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.80 2jpi s THR 33 CO -0.07 -0.03 2.39 -0.81 -0.54 0.00 0.00 174.62 175.56 2jpi n PRO 34 N 0.96 1.68 0.00 3.99 -0.04 -1.26 -2.19 135.00 138.14 2jpi n PRO 34 Ca -0.18 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 2jpi n PRO 34 Cb 0.54 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 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 3.22 0.00 -3.70 0.54 -0.58 -1.26 -5.05 120.64 113.81 2jpi n GLU 35 Ca 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.08 2jpi n GLU 35 Cb 0.42 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.28 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 -0.93 0.90 0.06 3.49 1.70 -0.93 -1.30 118.95 121.94 2jpi s ARG 36 Ca 0.00 -0.49 0.06 0.00 -0.47 0.00 0.00 55.73 54.83 2jpi s ARG 36 Cb 0.00 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2jpi s ARG 36 CO 0.00 -0.41 -0.12 0.20 -1.08 0.00 0.00 175.30 173.89 2jpi s GLY 37 N -2.94 1.71 -0.13 3.88 0.00 -0.56 -2.42 107.32 106.87 2jpi s GLY 37 Ca 0.13 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2jpi s GLY 37 CO -0.00 -1.09 -0.14 -0.12 0.00 0.00 0.00 173.10 171.74 2jpi s PHE 38 N -1.06 2.04 -0.15 1.90 5.36 -0.91 -2.00 117.98 123.15 2jpi s PHE 38 Ca 0.18 -1.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.05 2jpi s PHE 38 Cb -0.11 -1.50 0.05 0.00 -0.34 0.00 0.00 43.02 41.12 2jpi s PHE 38 CO 0.09 -0.58 0.04 0.42 -1.46 0.00 0.00 175.22 173.73 2jpi s ILE 39 N 1.30 0.34 -0.23 3.12 1.01 -1.08 -0.26 121.20 125.39 2jpi s ILE 39 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 2jpi s ILE 39 Cb -0.14 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 2jpi s ILE 39 CO -0.07 -0.10 0.08 -0.62 0.00 0.00 0.00 174.94 174.23 2jpi s ASP 40 N 1.96 5.39 0.24 3.58 -1.08 -1.06 -1.63 116.67 124.05 2jpi s ASP 40 Ca 0.01 -0.10 0.24 0.00 -0.52 0.00 0.00 52.55 52.18 2jpi s ASP 40 Cb -0.16 -1.96 0.45 0.00 -1.46 0.00 0.00 42.92 39.79 2jpi s ASP 40 CO -0.07 0.02 1.50 0.15 0.52 0.00 0.00 175.17 177.29 2jpi h PHE 41 N 7.82 0.00 0.00 -5.34 3.57 -1.92 -3.34 116.94 117.73 2jpi h PHE 41 Ca -0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2jpi h PHE 41 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2jpi h PHE 41 CO 0.65 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 2jpi n GLY 42 N 1.25 0.34 2.61 2.40 0.00 -1.26 -4.95 105.19 105.58 2jpi n GLY 42 Ca 0.04 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2jpi n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpi n ASP 43 N 0.00 7.54 0.00 1.61 2.03 -1.26 -4.89 116.55 121.58 2jpi n ASP 43 Ca 0.00 -3.54 0.00 0.00 0.52 0.00 0.00 54.79 51.77 2jpi n ASP 43 Cb 0.00 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 2jpi n ASP 43 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jpi n SER 44 N 0.42 0.00 -3.68 1.67 2.88 -1.26 -4.26 113.62 109.39 2jpi n SER 44 Ca 0.52 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.02 2jpi n SER 44 Cb 0.26 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 2jpi n SER 44 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2jpi s ASN 45 N -4.00 -0.20 -0.28 -3.46 -0.87 0.42 -4.18 114.94 102.37 2jpi s ASN 45 Ca 0.00 -0.28 -0.00 0.00 -1.57 0.00 0.00 52.86 51.01 2jpi s ASN 45 Cb 0.00 0.42 0.14 0.00 -0.02 0.00 0.00 41.25 41.79 2jpi s ASN 45 CO 0.00 -0.76 0.34 0.00 -2.57 0.00 0.00 177.10 174.11 2jpi s GLU 47 N 2.45 2.84 -0.05 0.00 2.12 0.15 -2.64 118.70 123.57 2jpi s GLU 47 Ca 0.10 -0.81 -0.02 0.00 0.36 0.00 0.00 54.97 54.59 2jpi s GLU 47 Cb -0.14 -2.65 0.04 0.00 0.26 0.00 0.00 34.13 31.64 2jpi s GLU 47 CO -0.28 0.52 0.09 -0.48 -0.54 0.00 0.00 175.26 174.57 2jpi s LEU 48 N -2.78 0.30 -0.10 2.70 2.34 -0.85 -1.85 118.68 118.45 2jpi s LEU 48 Ca 0.30 0.17 -0.19 0.00 0.06 0.00 0.00 54.13 54.47 2jpi s LEU 48 Cb -0.11 0.05 -0.04 0.00 -0.56 0.00 0.00 46.19 45.53 2jpi s LEU 48 CO 0.22 -0.22 0.53 -0.22 -1.06 0.00 0.00 176.35 175.60 2jpi s LEU 49 N 1.91 4.30 -0.15 1.48 2.96 0.33 -1.50 118.68 128.02 2jpi s LEU 49 Ca 0.00 0.92 -0.04 0.00 -0.22 0.00 0.00 54.13 54.79 2jpi s LEU 49 Cb -0.12 -2.78 0.06 0.00 0.50 0.00 0.00 46.19 43.85 2jpi s LEU 49 CO -0.04 -0.00 0.13 0.00 -1.32 0.00 0.00 176.35 175.12 2jpi s ALA 50 N 0.54 0.12 0.33 5.97 0.00 -0.42 0.14 121.76 128.45 2jpi s ALA 50 Ca 0.29 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.38 2jpi s ALA 50 Cb -0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2jpi s ALA 50 CO 0.12 -0.99 0.12 -1.58 0.00 0.00 0.00 175.76 173.43 2jpi s HIS 51 N 2.22 2.70 0.62 0.00 2.46 0.23 -2.37 115.29 121.15 2jpi s HIS 51 Ca 0.04 -0.37 0.15 0.00 0.47 0.00 0.00 55.06 55.35 2jpi s HIS 51 Cb -0.15 -1.58 0.80 0.00 -0.13 0.00 0.00 32.58 31.52 2jpi s HIS 51 CO -0.08 0.38 1.43 -1.35 -2.47 0.00 0.00 174.74 172.65 2jpi h PRO 52 N 1.60 0.00 0.00 2.88 0.11 -1.91 -2.61 132.00 132.08 2jpi h PRO 52 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jpi h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jpi h PRO 52 CO 0.63 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.95 2jpi n ASP 53 N -2.64 0.00 -3.93 -2.05 2.03 -1.20 -0.43 116.55 108.32 2jpi n ASP 53 Ca -0.01 -0.82 -0.09 0.00 0.52 0.00 0.00 54.79 54.39 2jpi n ASP 53 Cb 0.67 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.23 -0.01 -0.67 -3.43 -0.93 -2.43 115.29 108.06 2jpi s HIS 54 Ca 0.00 -0.60 -0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2jpi s HIS 54 Cb 0.00 -0.16 0.01 0.00 -1.43 0.00 0.00 32.58 31.00 2jpi s HIS 54 CO 0.00 -0.41 0.02 0.54 -2.00 0.00 0.00 174.74 172.88 2jpi s VAL 55 N -3.12 -0.02 0.05 -5.38 0.11 -0.94 0.75 120.40 111.85 2jpi s VAL 55 Ca -0.01 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 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 0.02 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.74 2jpi s LEU 56 N 0.28 2.41 -0.18 2.54 1.43 0.38 -2.40 118.68 123.15 2jpi s LEU 56 Ca -0.02 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2jpi s LEU 56 Cb -0.03 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.83 2jpi s LEU 56 CO -0.01 0.25 -0.06 -0.04 0.23 0.00 0.00 176.35 176.72 2jpi s MET 57 N -1.45 1.54 -0.02 1.70 -1.94 -0.22 0.12 119.30 119.04 2jpi s MET 57 Ca 0.14 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.52 2jpi s MET 57 Cb -0.10 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 2jpi s MET 57 CO 0.04 -0.47 -0.18 0.42 -0.01 0.00 0.00 175.02 174.82 2jpi s ILE 58 N 1.56 1.47 0.04 2.53 1.01 -0.77 -1.17 121.20 125.87 2jpi s ILE 58 Ca -0.01 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.94 2jpi s ILE 58 Cb -0.16 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2jpi s ILE 58 CO -0.08 0.42 -0.21 -1.48 0.00 0.00 0.00 174.94 173.59 2jpi s LEU 59 N -0.31 2.16 -0.32 2.97 -0.00 -1.23 -0.68 118.68 121.27 2jpi s LEU 59 Ca 0.04 -0.53 0.03 0.00 -0.00 0.00 0.00 54.13 53.68 2jpi s LEU 59 Cb -0.08 -1.01 0.09 0.00 -0.00 0.00 0.00 46.19 45.18 2jpi s LEU 59 CO 0.00 0.17 0.02 0.20 -0.00 0.00 0.00 176.35 176.74 2jpi s ASN 60 N -1.17 4.73 -0.02 1.48 0.01 -0.96 -4.13 114.94 114.88 2jpi s ASN 60 Ca 0.08 -1.93 -0.02 0.00 -0.71 0.00 0.00 52.86 50.28 2jpi s ASN 60 Cb -0.09 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 39.95 2jpi s ASN 60 CO 0.02 -0.34 0.06 -0.44 -1.51 0.00 0.00 177.10 174.89 2jpi s SER 61 N 1.03 -0.05 0.00 -1.22 0.01 -1.22 0.16 113.70 112.41 2jpi s SER 61 Ca 0.05 0.09 0.26 0.00 1.31 0.00 0.00 55.95 57.66 2jpi s SER 61 Cb -0.20 0.14 1.34 0.00 0.21 0.00 0.00 66.02 67.51 2jpi s SER 61 CO -0.07 -0.05 1.89 -0.81 0.41 0.00 0.00 173.24 174.62 2jpi n PRO 62 N 2.91 0.40 -3.95 12.44 -0.04 -1.26 -0.74 135.00 144.76 2jpi n PRO 62 Ca -0.13 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.26 2jpi n PRO 62 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 2jpi n PRO 62 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jpi s ASP 63 N -2.54 0.18 0.17 3.54 -4.77 -1.26 -4.07 116.67 107.93 2jpi s ASP 63 Ca 0.26 -0.30 -0.13 0.00 -3.30 0.00 0.00 52.55 49.07 2jpi s ASP 63 Cb 0.18 0.06 0.07 0.00 -1.09 0.00 0.00 42.92 42.13 2jpi s ASP 63 CO 0.39 -0.17 1.78 -0.08 0.70 0.00 0.00 175.17 177.79 2jpi h GLU 64 N 5.24 0.79 -0.40 2.11 4.81 -1.97 0.79 114.58 125.96 2jpi h GLU 64 Ca -0.29 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 58.92 2jpi h GLU 64 Cb 1.21 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 2jpi h GLU 64 CO 0.45 0.61 -0.32 0.22 -0.73 0.00 0.00 179.01 179.25 2jpi h ASP 65 N 0.76 -1.06 0.65 1.04 1.82 -1.98 1.21 116.42 118.86 2jpi h ASP 65 Ca 0.20 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 57.00 2jpi h ASP 65 Cb 0.06 0.50 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2jpi h ASP 65 CO -0.03 -0.32 -0.33 -1.28 -1.61 0.00 0.00 179.24 175.67 2jpi h SER 66 N -0.24 -0.80 -0.93 2.28 0.87 -1.88 0.06 113.55 112.90 2jpi h SER 66 Ca 0.18 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.85 2jpi h SER 66 Cb 0.53 0.22 -0.11 0.00 -0.44 0.00 0.00 62.40 62.60 2jpi h SER 66 CO -0.54 -0.55 -0.57 0.25 -0.53 0.00 0.00 176.83 174.89 2jpi h LEU 67 N -0.90 -2.07 -1.16 2.23 6.46 0.22 0.46 115.31 120.55 2jpi h LEU 67 Ca -0.09 0.31 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2jpi h LEU 67 Cb 0.70 0.91 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 2jpi h LEU 67 CO 0.13 -0.23 -0.07 0.00 -0.62 0.00 0.00 178.44 177.64 2jpi h ALA 68 N 0.41 1.30 -0.95 1.25 0.00 0.15 -1.11 119.26 120.31 2jpi h ALA 68 Ca 0.15 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2jpi h ALA 68 Cb 0.41 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2jpi h ALA 68 CO -0.88 0.47 0.61 1.25 0.00 0.00 0.00 179.25 180.69 2jpi h HIS 69 N 0.47 1.05 0.06 0.00 6.17 0.18 0.17 115.15 123.25 2jpi h HIS 69 Ca 0.09 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.20 2jpi h HIS 69 Cb 0.42 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.02 2jpi h HIS 69 CO 0.01 0.46 -0.03 0.52 0.71 0.00 0.00 177.93 179.61 2jpi h MET 70 N 0.95 -0.08 -0.52 5.26 2.86 -0.14 -2.43 114.93 120.83 2jpi h MET 70 Ca 0.45 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.24 2jpi h MET 70 Cb 0.42 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2jpi h MET 70 CO -0.21 0.15 0.39 -0.56 1.06 0.00 0.00 176.91 177.74 2jpi h GLN 71 N -1.01 0.00 0.18 1.72 3.07 -1.11 -1.40 115.11 116.56 2jpi h GLN 71 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.48 2jpi h GLN 71 Cb 0.26 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.85 2jpi h GLN 71 CO 0.01 0.00 -1.09 -0.97 0.09 0.00 0.00 178.83 176.87 2jpi h ASN 72 N 0.00 0.61 -0.90 0.06 -0.73 -0.77 -3.16 115.58 110.69 2jpi h ASN 72 Ca 0.24 -0.94 0.24 0.00 1.87 0.00 0.00 56.30 57.71 2jpi h ASN 72 Cb 1.03 -0.20 -0.13 0.00 0.27 0.00 0.00 38.32 39.29 2jpi h ASN 72 CO -0.00 1.53 0.37 0.58 -0.37 0.00 0.00 177.43 179.53 2jpi h VAL 73 N -0.17 0.41 -0.13 2.57 2.07 -0.74 0.39 116.25 120.65 2jpi h VAL 73 Ca -0.19 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2jpi h VAL 73 Cb 1.85 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2jpi h VAL 73 CO 0.20 0.06 -0.14 0.58 0.02 0.00 0.00 177.57 178.29 2jpi h VAL 74 N 0.34 1.35 -0.80 2.57 2.07 -1.61 -2.78 116.25 117.38 2jpi h VAL 74 Ca 0.58 -1.31 0.23 0.00 0.82 0.00 0.00 66.70 67.02 2jpi h VAL 74 Cb 1.15 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 2jpi h VAL 74 CO -0.57 0.38 0.74 0.00 0.02 0.00 0.00 177.57 178.14 2jpi h ALA 75 N 0.60 2.63 0.07 1.67 0.00 -0.91 0.75 119.26 124.07 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 0.67 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.55 2jpi h ALA 75 CO 0.03 -1.16 -1.09 0.22 0.00 0.00 0.00 179.25 177.26 2jpi h ASP 76 N 0.00 0.83 -0.69 0.00 3.58 -1.08 -3.24 116.42 115.82 2jpi h ASP 76 Ca 0.38 -0.80 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 2jpi h ASP 76 Cb 1.87 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 42.62 2jpi h ASP 76 CO -0.00 1.54 0.36 0.45 -2.88 0.00 0.00 179.24 178.71 2jpi h HIS 77 N 0.23 0.96 0.00 0.28 3.86 0.65 -1.63 115.15 119.50 2jpi h HIS 77 Ca -0.16 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 2jpi h HIS 77 Cb 1.77 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 29.93 2jpi h HIS 77 CO 0.12 0.69 -0.06 -0.07 0.86 0.00 0.00 177.93 179.47 2jpi h LEU 78 N 0.95 0.00 0.18 2.43 3.38 -1.46 -2.50 115.31 118.29 2jpi h LEU 78 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2jpi h LEU 78 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jpi h LEU 78 CO -0.04 0.06 -0.09 1.56 0.09 0.00 0.00 178.44 180.03 2jpi h GLN 79 N 0.00 -0.24 -0.87 1.13 4.20 -1.33 -2.48 115.11 115.52 2jpi h GLN 79 Ca -0.00 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.90 2jpi h GLN 79 Cb 0.16 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 2jpi h GLN 79 CO 0.01 0.15 0.57 -0.09 -0.67 0.00 0.00 178.83 178.79 2jpi h ARG 80 N -0.91 0.49 0.00 1.46 2.43 -1.23 0.33 114.38 116.94 2jpi h ARG 80 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jpi h ARG 80 Cb 0.49 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2jpi h ARG 80 CO 0.04 0.32 -0.07 0.00 -1.51 0.00 0.00 179.97 178.75 2jpi n MET 81 N -4.53 0.25 -3.61 0.20 0.00 -0.96 -4.56 117.12 103.90 2jpi n MET 81 Ca 0.18 0.19 -0.29 0.00 0.00 0.00 0.00 57.70 57.77 2jpi n MET 81 Cb 0.59 -1.77 -0.15 0.00 0.00 0.00 0.00 33.22 31.89 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 -3.10 1.01 -0.34 3.17 0.00 0.12 -5.09 121.76 117.52 2jpi s ALA 82 Ca 0.10 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 2jpi s ALA 82 Cb 0.13 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 2jpi s ALA 82 CO 0.61 -1.69 0.62 1.21 0.00 0.00 0.00 175.76 176.51 2jpi s ASN 83 N 1.82 6.43 0.00 0.00 2.47 -1.23 -4.48 114.94 119.96 2jpi s ASN 83 Ca 0.10 0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.58 2jpi s ASN 83 Cb -0.17 -2.32 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2jpi s ASN 83 CO -0.30 -0.55 0.00 -0.24 -3.72 0.00 0.00 177.10 172.29 2jpi n SER 84 N 5.97 0.00 -3.83 -4.21 2.88 -1.26 -5.15 113.62 108.02 2jpi n SER 84 Ca -0.02 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 2jpi n SER 84 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.40 -0.97 -1.46 -1.05 -1.26 -5.05 118.70 110.31 2jpi s GLU 85 Ca 0.00 -0.99 -0.20 0.00 -0.15 0.00 0.00 54.97 53.63 2jpi s GLU 85 Cb 0.00 0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 34.08 2jpi s GLU 85 CO 0.00 -0.59 2.00 0.43 0.95 0.00 0.00 175.26 178.05 2jpi n SER 86 N -0.34 2.92 0.00 0.83 7.64 -1.26 -4.76 113.62 118.66 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 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 7.47 0.00 -4.55 -3.43 7.99 -1.26 -4.62 117.00 118.59 2jpi n LEU 87 Ca 0.50 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 56.13 2jpi n LEU 87 Cb 0.40 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 2jpi n LEU 87 CO 0.98 0.00 1.51 -0.70 -1.51 0.00 0.00 177.39 177.68 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 0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.67 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 -2.76 -0.05 0.96 -0.54 0.00 0.00 175.26 172.87 2jpi s ILE 89 N 8.77 0.62 -0.40 -3.70 -0.00 -1.26 -4.81 121.20 120.42 2jpi s ILE 89 Ca 0.63 -0.16 -0.16 0.00 -0.00 0.00 0.00 60.65 60.96 2jpi s ILE 89 Cb -0.11 -0.64 0.02 0.00 -0.00 0.00 0.00 42.46 41.73 2jpi s ILE 89 CO 0.16 0.25 0.35 0.00 -0.00 0.00 0.00 174.94 175.70 2jpi s ALA 90 N 0.95 3.46 -0.07 2.27 0.00 -1.26 -5.02 121.76 122.09 2jpi s ALA 90 Ca -0.10 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 2jpi s ALA 90 Cb -0.14 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 2jpi s ALA 90 CO 0.00 -1.45 0.45 1.67 0.00 0.00 0.00 175.76 176.44 2jpi s TRP 91 N 1.87 3.60 0.29 0.00 1.48 -1.26 -3.99 118.94 120.94 2jpi s TRP 91 Ca 0.08 0.94 -0.10 0.00 -1.06 0.00 0.00 56.10 55.96 2jpi s TRP 91 Cb -0.18 -2.45 -0.07 0.00 -1.16 0.00 0.00 33.47 29.61 2jpi s TRP 91 CO 0.11 0.36 0.63 -0.65 -4.06 0.00 0.00 176.95 173.34 2jpi s GLN 92 N -0.06 3.80 0.38 3.25 -0.21 -1.24 -4.97 119.66 120.60 2jpi s GLN 92 Ca 0.25 0.33 0.17 0.00 0.02 0.00 0.00 55.36 56.14 2jpi s GLN 92 Cb -0.16 -2.55 1.10 0.00 1.00 0.00 0.00 33.01 32.39 2jpi s GLN 92 CO 0.12 0.20 1.72 -1.35 -2.12 0.00 0.00 175.29 173.86 2jpi h PRO 93 N 2.06 0.37 0.00 2.91 0.11 -1.95 -3.41 132.00 132.09 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 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.67 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 2jpi n ALA 94 N -2.42 0.00 -2.67 -0.75 0.00 -1.26 -4.82 120.51 108.60 2jpi n ALA 94 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 2jpi n ALA 94 Cb 0.94 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.25 0.13 0.00 0.00 2.13 -1.25 -1.71 120.64 118.70 2jpi n GLU 95 Ca 0.00 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.07 2jpi n GLU 95 Cb 0.05 -0.15 0.00 0.00 0.27 0.00 0.00 31.44 31.61 2jpi n GLU 95 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17