#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa n LEU 30 N 0.00 -1.51 -4.54 0.99 7.99 -1.26 -4.77 117.00 113.90 2jxa n LEU 30 Ca 0.00 0.12 -0.37 0.00 -0.01 0.00 0.00 56.01 55.74 2jxa n LEU 30 Cb 0.00 -0.73 0.05 0.00 -0.11 0.00 0.00 43.42 42.64 2jxa n LEU 30 CO 0.00 -0.48 0.29 -2.65 -1.51 0.00 0.00 177.39 173.04 2jxa n PRO 31 N 0.62 0.63 0.00 3.23 -0.02 -1.26 -4.88 135.00 133.31 2jxa n PRO 31 Ca -0.01 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 61.87 2jxa n PRO 31 Cb 0.25 -1.94 0.79 0.00 -0.02 0.00 0.00 33.50 32.58 2jxa n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jxa n PHE 32 N -1.88 0.00 -2.75 6.00 3.72 -1.26 -4.91 117.46 116.37 2jxa n PHE 32 Ca 0.13 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.46 2jxa n PHE 32 Cb 0.48 -0.06 0.03 0.00 -0.94 0.00 0.00 39.48 38.98 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jxa n GLY 33 N 1.11 0.44 2.62 1.37 0.00 -1.26 -4.96 105.19 104.51 2jxa n GLY 33 Ca 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2jxa n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jxa n LEU 34 N -1.90 -1.26 -1.33 0.99 4.77 -1.26 -5.13 117.00 111.88 2jxa n LEU 34 Ca -0.02 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 2jxa n LEU 34 Cb 0.53 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2jxa n LEU 34 CO 0.20 1.67 -0.39 0.80 -1.33 0.00 0.00 177.39 178.33 2jxa n MET 35 N -1.44 -3.69 -3.50 3.23 1.56 -1.26 -4.93 117.12 107.09 2jxa n MET 35 Ca -0.17 2.79 -0.33 0.00 -0.27 0.00 0.00 57.70 59.72 2jxa n MET 35 Cb 0.87 -3.26 -0.05 0.00 2.15 0.00 0.00 33.22 32.93 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2jxa s ARG 36 N -4.49 3.79 -0.13 2.12 0.52 -0.78 -4.94 118.95 115.05 2jxa s ARG 36 Ca 0.00 0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 55.34 2jxa s ARG 36 Cb 0.00 -2.85 0.04 0.00 0.52 0.00 0.00 34.95 32.66 2jxa s ARG 36 CO 0.00 0.46 0.32 0.50 0.02 0.00 0.00 175.30 176.60 2jxa s ARG 37 N -2.32 0.34 0.05 3.54 3.52 -1.26 -1.85 118.95 120.97 2jxa s ARG 37 Ca 0.40 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.56 2jxa s ARG 37 Cb -0.13 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.31 2jxa s ARG 37 CO 0.20 -0.09 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.28 2jxa s GLU 38 N 0.63 0.69 0.01 5.12 8.01 -0.98 -5.01 118.70 127.17 2jxa s GLU 38 Ca -0.04 -0.79 0.00 0.00 0.01 0.00 0.00 54.97 54.15 2jxa s GLU 38 Cb -0.05 -0.59 -0.01 0.00 -4.31 0.00 0.00 34.13 29.17 2jxa s GLU 38 CO -0.04 0.13 -0.02 -1.17 0.01 0.00 0.00 175.26 174.17 2jxa s LEU 39 N -1.48 2.12 -0.03 1.80 0.20 -1.26 -1.60 118.68 118.42 2jxa s LEU 39 Ca -0.05 -0.25 -0.06 0.00 0.69 0.00 0.00 54.13 54.47 2jxa s LEU 39 Cb -0.09 0.01 0.01 0.00 -0.43 0.00 0.00 46.19 45.69 2jxa s LEU 39 CO 0.01 -0.13 0.14 0.00 -0.29 0.00 0.00 176.35 176.08 2jxa s ALA 40 N -0.70 -0.35 0.16 5.97 0.00 -0.88 -4.98 121.76 120.99 2jxa s ALA 40 Ca -0.07 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 2jxa s ALA 40 Cb -0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 2jxa s ALA 40 CO -0.00 -0.12 1.35 0.00 0.00 0.00 0.00 175.76 176.98 2jxa n GLU 42 N 3.18 0.63 -0.09 0.00 2.13 -1.04 -2.00 120.64 123.44 2jxa n GLU 42 Ca 0.08 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2jxa n GLU 42 Cb 0.42 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2jxa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jxa n GLY 43 N 1.64 1.33 3.56 8.31 0.00 -0.28 -4.90 105.19 114.85 2jxa n GLY 43 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2jxa n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxa s TYR 44 N -2.58 2.70 0.32 1.61 2.02 -0.85 -4.73 117.35 115.84 2jxa s TYR 44 Ca 0.00 -0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 2jxa s TYR 44 Cb 0.00 -1.42 -0.10 0.00 -0.40 0.00 0.00 41.96 40.04 2jxa s TYR 44 CO 0.00 0.42 1.30 -1.25 -1.57 0.00 0.00 175.55 174.45 2jxa s PRO 45 N -2.20 4.37 0.07 -1.71 0.04 -1.26 -0.78 135.00 133.53 2jxa s PRO 45 Ca 0.21 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.52 2jxa s PRO 45 Cb -0.11 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2jxa s PRO 45 CO 0.13 -0.17 -0.23 -1.50 0.04 0.00 0.00 177.00 175.27 2jxa s ILE 46 N -1.05 2.44 -0.06 0.56 2.07 0.51 -4.88 121.20 120.79 2jxa s ILE 46 Ca 0.49 -1.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.33 2jxa s ILE 46 Cb -0.39 -2.03 0.01 0.00 0.13 0.00 0.00 42.46 40.19 2jxa s ILE 46 CO 0.51 0.27 -0.11 -0.70 -1.91 0.00 0.00 174.94 173.00 2jxa s GLU 47 N -1.59 1.55 0.06 3.50 2.12 -1.26 -1.92 118.70 121.16 2jxa s GLU 47 Ca 0.14 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 55.17 2jxa s GLU 47 Cb -0.10 -1.31 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 2jxa s GLU 47 CO 0.05 0.01 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.13 2jxa s LEU 48 N 0.71 2.85 -0.10 2.70 1.43 -0.81 -4.98 118.68 120.47 2jxa s LEU 48 Ca -0.14 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2jxa s LEU 48 Cb -0.16 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.43 2jxa s LEU 48 CO 0.03 0.23 0.26 -0.13 0.23 0.00 0.00 176.35 176.98 2jxa s ARG 49 N -1.71 0.27 -0.13 1.70 0.52 -1.26 -2.36 118.95 116.00 2jxa s ARG 49 Ca 0.17 0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 55.76 2jxa s ARG 49 Cb -0.11 0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 2jxa s ARG 49 CO 0.08 -0.08 0.08 0.00 0.02 0.00 0.00 175.30 175.40 2jxa s PRO 51 N -0.57 2.27 4.55 0.00 0.04 -1.26 -4.63 135.00 135.41 2jxa s PRO 51 Ca 0.11 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2jxa s PRO 51 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2jxa s PRO 51 CO 0.02 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.83 2jxa n GLY 52 N -0.92 3.12 1.38 0.56 0.00 -1.26 -1.45 105.19 106.61 2jxa n GLY 52 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 2jxa n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxa n SER 53 N 3.09 3.47 -4.88 1.61 3.41 -1.26 -5.01 113.62 114.04 2jxa n SER 53 Ca 0.00 -3.44 -0.30 0.00 -0.26 0.00 0.00 58.87 54.87 2jxa n SER 53 Cb 0.00 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.34 2jxa n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jxa s ASP 54 N -1.94 5.30 0.05 4.04 1.01 -0.53 -1.45 116.67 123.15 2jxa s ASP 54 Ca 0.48 1.09 0.06 0.00 0.71 0.00 0.00 52.55 54.89 2jxa s ASP 54 Cb 0.40 -1.85 -0.02 0.00 1.01 0.00 0.00 42.92 42.46 2jxa s ASP 54 CO 0.06 -1.43 -0.17 0.68 0.21 0.00 0.00 175.17 174.52 2jxa s VAL 55 N -3.38 1.36 0.28 -1.27 -7.23 0.56 -4.33 120.40 106.38 2jxa s VAL 55 Ca 0.59 -1.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 2jxa s VAL 55 Cb -0.11 -1.21 -0.10 0.00 0.56 0.00 0.00 36.38 35.52 2jxa s VAL 55 CO 0.51 0.07 1.26 -0.63 -0.31 0.00 0.00 175.10 176.00 2jxa s ILE 56 N -0.86 3.03 -0.32 -0.62 1.01 0.24 -1.91 121.20 121.77 2jxa s ILE 56 Ca 0.04 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 2jxa s ILE 56 Cb -0.08 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.87 2jxa s ILE 56 CO 0.02 0.21 0.11 0.00 0.00 0.00 0.00 174.94 175.27 2jxa s MET 57 N -1.21 0.73 0.07 2.79 0.23 -0.18 -1.35 119.30 120.38 2jxa s MET 57 Ca 0.50 -1.12 -0.31 0.00 -1.03 0.00 0.00 55.69 53.74 2jxa s MET 57 Cb -0.37 -1.98 -0.09 0.00 -1.53 0.00 0.00 34.83 30.86 2jxa s MET 57 CO 0.46 -1.00 1.78 0.08 -2.03 0.00 0.00 175.02 174.31 2jxa s VAL 58 N 1.54 2.90 -0.21 5.16 1.01 -1.26 -2.40 120.40 127.15 2jxa s VAL 58 Ca 0.10 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2jxa s VAL 58 Cb -0.18 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 2jxa s VAL 58 CO -0.24 -0.01 -0.25 -0.62 0.00 0.00 0.00 175.10 173.99 2jxa n GLU 59 N 6.16 0.45 -3.80 2.72 -0.58 -0.53 -4.96 120.64 120.10 2jxa n GLU 59 Ca 0.17 0.18 -0.12 0.00 -0.42 0.00 0.00 57.16 56.97 2jxa n GLU 59 Cb 0.40 -1.28 -0.11 0.00 -0.57 0.00 0.00 31.44 29.88 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2jxa s ASN 60 N -6.66 -0.19 -0.06 1.62 0.01 -1.00 -5.03 114.94 103.63 2jxa s ASN 60 Ca -0.29 0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 51.89 2jxa s ASN 60 Cb 0.10 0.41 0.10 0.00 0.41 0.00 0.00 41.25 42.27 2jxa s ASN 60 CO 0.39 -0.16 0.86 0.00 -1.51 0.00 0.00 177.10 176.68 2jxa s ALA 61 N -0.25 -1.83 -0.02 0.60 0.00 -1.26 -0.14 121.76 118.87 2jxa s ALA 61 Ca -0.04 1.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 2jxa s ALA 61 Cb -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2jxa s ALA 61 CO 0.01 -0.48 0.40 1.21 0.00 0.00 0.00 175.76 176.90 2jxa s ASN 62 N -1.70 -0.31 -0.19 0.00 2.47 -0.84 -3.96 114.94 110.41 2jxa s ASN 62 Ca -0.01 0.23 -0.01 0.00 0.42 0.00 0.00 52.86 53.49 2jxa s ASN 62 Cb -0.01 0.37 0.01 0.00 -1.45 0.00 0.00 41.25 40.18 2jxa s ASN 62 CO -0.01 -0.50 -0.15 -0.47 -3.72 0.00 0.00 177.10 172.25 2jxa s TYR 63 N -1.37 2.84 0.00 0.43 6.14 -1.25 -2.37 117.35 121.77 2jxa s TYR 63 Ca -0.12 -1.40 0.00 0.00 0.64 0.00 0.00 57.07 56.18 2jxa s TYR 63 Cb -0.04 -1.98 0.00 0.00 0.42 0.00 0.00 41.96 40.36 2jxa s TYR 63 CO 0.05 -0.72 0.00 0.41 0.64 0.00 0.00 175.55 175.93 2jxa n GLY 64 N 4.68 -0.36 3.53 8.97 0.00 -0.64 -2.86 105.19 118.51 2jxa n GLY 64 Ca -0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 2jxa n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxa s ARG 65 N -1.68 0.53 -0.00 1.61 3.52 -0.93 0.06 118.95 122.05 2jxa s ARG 65 Ca 0.00 1.34 0.01 0.00 -0.13 0.00 0.00 55.73 56.94 2jxa s ARG 65 Cb 0.00 0.74 0.01 0.00 -1.56 0.00 0.00 34.95 34.14 2jxa s ARG 65 CO 0.00 -0.24 0.93 0.25 -0.81 0.00 0.00 175.30 175.42 2jxa n THR 66 N 5.44 0.87 -3.69 4.11 -2.24 -1.26 -0.33 114.28 117.17 2jxa n THR 66 Ca -0.10 -0.88 -0.02 0.00 -2.27 0.00 0.00 64.05 60.78 2jxa n THR 66 Cb 0.49 0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2jxa n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jxa n ASP 67 N -0.45 -0.12 0.00 3.42 2.03 -1.26 -4.77 116.55 115.40 2jxa n ASP 67 Ca 0.01 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.12 2jxa n ASP 67 Cb 0.31 0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2jxa n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jxa n ASP 68 N -2.24 0.00 -1.01 1.67 5.68 -1.26 -4.50 116.55 114.89 2jxa n ASP 68 Ca 0.00 -0.79 0.10 0.00 -0.50 0.00 0.00 54.79 53.60 2jxa n ASP 68 Cb 0.06 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.23 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jxa n LYS 69 N 0.00 2.32 -4.33 0.11 5.02 -1.26 -4.88 118.16 115.14 2jxa n LYS 69 Ca 0.00 -2.13 -0.35 0.00 -2.02 0.00 0.00 58.31 53.81 2jxa n LYS 69 Cb 0.20 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 2jxa n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jxa s ILE 70 N -1.35 4.32 -0.88 -0.18 -1.09 -1.26 -4.63 121.20 116.13 2jxa s ILE 70 Ca 0.34 -0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 2jxa s ILE 70 Cb 0.20 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 2jxa s ILE 70 CO 0.27 0.57 0.76 0.00 -1.23 0.00 0.00 174.94 175.32 2jxa n ASP 72 N -2.34 2.29 -0.57 0.00 5.75 -1.26 -4.92 116.55 115.49 2jxa n ASP 72 Ca -0.06 1.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.80 2jxa n ASP 72 Cb 0.56 -1.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jxa n ALA 73 N 5.03 0.00 -1.77 2.12 0.00 -1.26 -5.13 120.51 119.50 2jxa n ALA 73 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 2jxa n ALA 73 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 2jxa n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jxa s ASP 74 N -0.07 6.46 0.35 0.00 1.47 -1.26 -4.90 116.67 118.73 2jxa s ASP 74 Ca 0.00 2.85 0.06 0.00 1.18 0.00 0.00 52.55 56.64 2jxa s ASP 74 Cb 0.00 -2.66 0.74 0.00 -0.34 0.00 0.00 42.92 40.66 2jxa s ASP 74 CO 0.00 -0.77 1.92 1.55 0.68 0.00 0.00 175.17 178.55 2jxa h PRO 75 N 3.04 0.75 -0.17 2.11 0.13 -2.00 -1.43 132.00 134.43 2jxa h PRO 75 Ca -0.50 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.52 2jxa h PRO 75 Cb 1.24 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2jxa h PRO 75 CO 0.64 0.50 -0.20 0.74 -0.23 0.00 0.00 178.00 179.45 2jxa h PHE 76 N 0.77 0.32 -0.33 1.56 0.04 -1.96 0.25 116.94 117.60 2jxa h PHE 76 Ca 0.37 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2jxa h PHE 76 Cb 0.41 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2jxa h PHE 76 CO -0.00 0.49 0.00 1.04 -0.60 0.00 0.00 178.31 179.24 2jxa n GLN 77 N -4.19 1.81 0.00 1.51 6.02 -0.57 -3.57 117.38 118.38 2jxa n GLN 77 Ca -0.01 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 2jxa n GLN 77 Cb 0.34 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2jxa n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jxa n MET 78 N 0.46 -0.23 -0.04 -1.09 2.81 -0.16 0.22 117.12 119.09 2jxa n MET 78 Ca 0.11 -0.24 -0.11 0.00 -1.81 0.00 0.00 57.70 55.65 2jxa n MET 78 Cb 0.30 -0.68 -0.05 0.00 -0.71 0.00 0.00 33.22 32.08 2jxa n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jxa h GLU 79 N 0.00 0.24 -6.37 0.03 5.08 -0.64 -3.42 114.58 109.51 2jxa h GLU 79 Ca 0.00 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 2jxa h GLU 79 Cb 0.37 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2jxa h GLU 79 CO 0.00 0.32 0.97 1.21 -1.00 0.00 0.00 179.01 180.51 2jxa s ASN 80 N -5.55 6.67 -0.39 1.42 2.47 -1.26 -4.89 114.94 113.41 2jxa s ASN 80 Ca -0.14 1.15 0.06 0.00 0.42 0.00 0.00 52.86 54.35 2jxa s ASN 80 Cb 0.07 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.89 2jxa s ASN 80 CO 0.70 -1.09 1.68 1.33 -3.72 0.00 0.00 177.10 176.00 2jxa n VAL 81 N 6.26 2.91 -3.42 -5.21 0.24 -1.26 -4.73 118.33 113.12 2jxa n VAL 81 Ca 0.15 -2.54 -0.27 0.00 -2.04 0.00 0.00 64.34 59.64 2jxa n VAL 81 Cb 0.47 -0.50 -0.11 0.00 -1.47 0.00 0.00 33.84 32.23 2jxa n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jxa s GLN 82 N -3.35 0.65 -0.14 7.34 -1.52 -0.80 -4.03 119.66 117.82 2jxa s GLN 82 Ca 0.52 -1.45 -0.06 0.00 -1.95 0.00 0.00 55.36 52.42 2jxa s GLN 82 Cb 0.45 -1.22 0.06 0.00 -0.22 0.00 0.00 33.01 32.08 2jxa s GLN 82 CO 0.04 -1.25 0.30 0.00 -0.25 0.00 0.00 175.29 174.12 2jxa s TYR 84 N 2.06 1.52 -0.40 0.00 2.02 -1.26 -2.19 117.35 119.09 2jxa s TYR 84 Ca -0.03 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2jxa s TYR 84 Cb -0.11 -0.82 0.16 0.00 -0.40 0.00 0.00 41.96 40.79 2jxa s TYR 84 CO -0.10 0.16 0.41 -1.17 -1.57 0.00 0.00 175.55 173.28 2jxa s LEU 85 N -2.11 0.22 0.29 -1.29 2.96 -1.13 -4.92 118.68 112.70 2jxa s LEU 85 Ca 0.06 -2.08 0.02 0.00 -0.22 0.00 0.00 54.13 51.90 2jxa s LEU 85 Cb -0.08 0.41 0.70 0.00 0.50 0.00 0.00 46.19 47.72 2jxa s LEU 85 CO 0.04 -0.20 1.65 -0.65 -1.32 0.00 0.00 176.35 175.86 2jxa h PRO 86 N 6.33 0.22 -0.19 0.98 0.11 -1.91 -1.21 132.00 136.33 2jxa h PRO 86 Ca 0.12 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.27 2jxa h PRO 86 Cb 1.02 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2jxa h PRO 86 CO 0.22 0.15 0.24 -0.44 -0.21 0.00 0.00 178.00 177.96 2jxa h ASP 87 N 0.23 0.00 -0.65 -2.05 3.32 -1.96 -1.38 116.42 113.92 2jxa h ASP 87 Ca 0.55 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.76 2jxa h ASP 87 Cb 1.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2jxa h ASP 87 CO -0.64 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 177.34 2jxa h ALA 88 N 1.70 2.42 -0.18 3.45 0.00 -1.53 -1.34 119.26 123.78 2jxa h ALA 88 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jxa h ALA 88 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jxa h ALA 88 CO -0.00 -0.60 0.03 0.35 0.00 0.00 0.00 179.25 179.03 2jxa h PHE 89 N 0.14 0.32 -0.54 0.00 3.57 -1.37 -2.56 116.94 116.49 2jxa h PHE 89 Ca 0.32 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 2jxa h PHE 89 Cb 1.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2jxa h PHE 89 CO -0.00 0.45 0.06 1.57 -2.23 0.00 0.00 178.31 178.16 2jxa h LYS 90 N 0.09 0.88 0.23 1.11 2.10 -1.41 0.29 116.57 119.85 2jxa h LYS 90 Ca 0.05 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 2jxa h LYS 90 Cb 0.31 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2jxa h LYS 90 CO 0.00 0.84 -0.11 0.82 -2.00 0.00 0.00 179.45 179.00 2jxa h ILE 91 N 0.83 0.81 -0.17 0.07 2.04 -1.36 -0.79 117.51 118.94 2jxa h ILE 91 Ca 0.17 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 2jxa h ILE 91 Cb 0.41 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2jxa h ILE 91 CO 0.01 0.04 -0.29 0.24 0.00 0.00 0.00 178.15 178.15 2jxa h MET 92 N -0.40 0.33 -0.20 2.37 2.86 -1.38 -1.43 114.93 117.08 2jxa h MET 92 Ca -0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2jxa h MET 92 Cb 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2jxa h MET 92 CO 0.05 0.59 0.08 0.77 1.06 0.00 0.00 176.91 179.46 2jxa h SER 93 N 0.29 0.27 -0.20 1.22 0.02 -0.72 0.44 113.55 114.87 2jxa h SER 93 Ca 0.04 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 2jxa h SER 93 Cb 0.66 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2jxa h SER 93 CO 0.05 0.36 -0.27 1.56 -1.14 0.00 0.00 176.83 177.39 2jxa h GLN 94 N 0.17 0.68 0.02 3.45 4.20 -1.01 0.18 115.11 122.81 2jxa h GLN 94 Ca 0.07 -0.29 -0.22 0.00 0.06 0.00 0.00 58.65 58.28 2jxa h GLN 94 Cb 0.17 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2jxa h GLN 94 CO -0.01 0.87 -0.96 0.00 -0.67 0.00 0.00 178.83 178.07 2jxa h ARG 95 N 0.58 0.24 0.00 1.46 3.08 -1.06 -3.38 114.38 115.31 2jxa h ARG 95 Ca 0.08 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 2jxa h ARG 95 Cb 0.76 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2jxa h ARG 95 CO 0.06 1.03 -1.51 0.00 -1.07 0.00 0.00 179.97 178.48 2jxa n ASN 97 N -1.97 3.41 0.00 0.00 3.02 0.64 -1.35 115.26 119.01 2jxa n ASN 97 Ca -0.05 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2jxa n ASN 97 Cb 0.39 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jxa n ASN 98 N 2.45 -4.86 -4.58 6.41 4.13 -0.46 -4.95 115.26 113.40 2jxa n ASN 98 Ca 0.11 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.06 2jxa n ASN 98 Cb 0.34 -2.45 -0.10 0.00 -1.54 0.00 0.00 39.78 36.03 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jxa s ARG 99 N -1.30 2.37 0.29 3.52 0.52 -0.45 -4.81 118.95 119.09 2jxa s ARG 99 Ca 0.00 -0.85 0.13 0.00 -0.52 0.00 0.00 55.73 54.49 2jxa s ARG 99 Cb 0.00 -2.41 0.39 0.00 0.52 0.00 0.00 34.95 33.45 2jxa s ARG 99 CO 0.00 0.56 1.61 1.15 0.02 0.00 0.00 175.30 178.64 2jxa h THR 100 N 3.56 1.25 -2.97 0.02 2.02 -1.85 0.69 112.91 115.63 2jxa h THR 100 Ca -0.48 -2.06 -0.06 0.00 0.77 0.00 0.00 66.41 64.58 2jxa h THR 100 Cb 1.17 2.16 -0.15 0.00 -1.74 0.00 0.00 68.15 69.58 2jxa h THR 100 CO 0.53 0.56 -0.01 0.00 0.37 0.00 0.00 175.52 176.97 2jxa s GLN 101 N -3.48 1.02 -0.16 6.66 1.03 -1.26 0.72 119.66 124.20 2jxa s GLN 101 Ca -0.00 -0.37 -0.19 0.00 0.04 0.00 0.00 55.36 54.83 2jxa s GLN 101 Cb 0.12 0.46 0.05 0.00 0.03 0.00 0.00 33.01 33.67 2jxa s GLN 101 CO 0.74 -0.38 0.52 0.00 -2.54 0.00 0.00 175.29 173.63 2jxa s VAL 103 N -0.09 1.67 0.02 0.00 1.01 -1.26 -1.93 120.40 119.82 2jxa s VAL 103 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2jxa s VAL 103 Cb -0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2jxa s VAL 103 CO 0.02 0.48 -0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2jxa s VAL 104 N 1.09 0.27 -0.24 2.92 1.01 -0.81 -4.93 120.40 119.71 2jxa s VAL 104 Ca -0.03 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 2jxa s VAL 104 Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2jxa s VAL 104 CO -0.05 -0.23 1.16 -0.69 0.00 0.00 0.00 175.10 175.29 2jxa s VAL 105 N -0.84 4.43 0.00 2.92 1.01 -1.26 -0.36 120.40 126.29 2jxa s VAL 105 Ca -0.07 1.70 -0.00 0.00 0.00 0.00 0.00 61.98 63.60 2jxa s VAL 105 Cb -0.06 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2jxa s VAL 105 CO -0.00 -0.27 1.20 0.00 0.00 0.00 0.00 175.10 176.03 2jxa n ALA 106 N 6.74 2.94 0.00 5.51 0.00 0.04 -4.62 120.51 131.12 2jxa n ALA 106 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jxa n ALA 106 Cb 0.46 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 1.90 -0.34 3.87 0.00 0.00 -1.26 -1.12 105.19 108.24 2jxa n GLY 107 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2jxa n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxa n SER 108 N 0.00 0.00 0.02 1.61 2.88 -1.26 -0.60 113.62 116.27 2jxa n SER 108 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jxa n SER 108 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 2jxa n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jxa n ASP 109 N -2.21 0.07 0.08 -3.46 8.00 -1.26 -1.85 116.55 115.92 2jxa n ASP 109 Ca 0.00 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.15 2jxa n ASP 109 Cb 0.00 -0.53 0.46 0.00 -0.02 0.00 0.00 41.12 41.02 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa n ALA 110 N -1.53 2.12 -3.73 2.24 0.00 -0.61 -4.70 120.51 114.29 2jxa n ALA 110 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2jxa n ALA 110 Cb 0.09 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.96 2jxa n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jxa s PHE 111 N -3.12 -0.09 0.00 0.00 0.08 0.23 -4.90 117.98 110.19 2jxa s PHE 111 Ca 0.10 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.49 2jxa s PHE 111 Cb 0.13 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.44 2jxa s PHE 111 CO 0.52 -0.14 0.00 -2.30 -0.10 0.00 0.00 175.22 173.20 2jxa n PRO 112 N 4.17 2.45 -3.50 0.24 -0.02 -1.26 -4.59 135.00 132.50 2jxa n PRO 112 Ca -0.27 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.92 2jxa n PRO 112 Cb 0.51 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.87 2jxa n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxa s ASP 113 N -2.62 3.12 -0.06 2.55 -1.08 -1.26 -4.93 116.67 112.39 2jxa s ASP 113 Ca 0.00 -2.06 -0.24 0.00 -0.52 0.00 0.00 52.55 49.73 2jxa s ASP 113 Cb 0.00 -0.44 -0.27 0.00 -1.46 0.00 0.00 42.92 40.75 2jxa s ASP 113 CO 0.00 -0.33 0.92 1.55 0.52 0.00 0.00 175.17 177.84 2jxa h PRO 114 N 7.24 0.21 -2.42 4.34 0.13 -1.91 -3.43 132.00 136.16 2jxa h PRO 114 Ca 0.01 -0.31 -0.57 0.00 -0.87 0.00 0.00 66.00 64.27 2jxa h PRO 114 Cb 0.97 0.11 -0.38 0.00 0.13 0.00 0.00 31.00 31.83 2jxa h PRO 114 CO 0.31 1.09 -0.90 0.00 -0.23 0.00 0.00 178.00 178.27 2jxa n PRO 116 N 3.48 1.53 -0.61 0.00 -0.02 -1.26 -3.32 135.00 134.80 2jxa n PRO 116 Ca 0.20 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2jxa n PRO 116 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2jxa n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jxa n GLY 117 N 0.85 0.67 3.11 -1.23 0.00 -1.26 -5.06 105.19 102.27 2jxa n GLY 117 Ca 0.11 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2jxa n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxa s THR 118 N -2.00 0.99 -0.77 2.61 2.01 -1.21 -4.43 115.64 112.84 2jxa s THR 118 Ca 0.00 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 2jxa s THR 118 Cb 0.00 -0.89 0.08 0.00 0.01 0.00 0.00 72.50 71.70 2jxa s THR 118 CO 0.00 0.05 1.09 -0.47 -0.69 0.00 0.00 174.62 174.60 2jxa s TYR 119 N -0.71 2.71 0.00 4.92 5.04 0.60 -4.98 117.35 124.92 2jxa s TYR 119 Ca 0.01 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2jxa s TYR 119 Cb -0.07 -4.38 0.00 0.00 0.35 0.00 0.00 41.96 37.86 2jxa s TYR 119 CO 0.01 -1.70 0.00 1.63 -1.34 0.00 0.00 175.55 174.15 2jxa n LYS 120 N 7.78 -0.34 -3.73 4.97 5.02 -1.26 -4.83 118.16 125.78 2jxa n LYS 120 Ca 0.07 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2jxa n LYS 120 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.85 -0.14 -0.07 2.13 -0.85 0.11 -2.50 117.35 115.17 2jxa s TYR 121 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 2jxa s TYR 121 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.99 2jxa s TYR 121 CO 0.00 -0.78 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.01 2jxa s LEU 122 N -2.91 1.28 -0.10 -3.49 2.96 -0.77 -1.62 118.68 114.04 2jxa s LEU 122 Ca 0.12 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2jxa s LEU 122 Cb -0.01 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 2jxa s LEU 122 CO 0.01 -0.07 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.06 2jxa s GLU 123 N 1.21 3.02 -0.06 1.98 2.56 -1.00 -2.07 118.70 124.34 2jxa s GLU 123 Ca -0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 54.97 54.08 2jxa s GLU 123 Cb -0.14 -2.35 0.03 0.00 2.00 0.00 0.00 34.13 33.66 2jxa s GLU 123 CO -0.02 0.24 -0.01 0.08 -0.56 0.00 0.00 175.26 174.99 2jxa s VAL 124 N 0.22 0.40 -0.19 3.70 1.01 -0.63 -1.99 120.40 122.92 2jxa s VAL 124 Ca -0.13 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2jxa s VAL 124 Cb -0.17 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2jxa s VAL 124 CO 0.07 0.24 0.01 -1.10 0.00 0.00 0.00 175.10 174.32 2jxa s GLN 125 N 1.64 3.71 0.23 2.72 -0.21 0.81 -2.32 119.66 126.25 2jxa s GLN 125 Ca -0.00 -0.48 -0.15 0.00 0.02 0.00 0.00 55.36 54.75 2jxa s GLN 125 Cb -0.13 -3.09 0.01 0.00 1.00 0.00 0.00 33.01 30.80 2jxa s GLN 125 CO -0.04 0.11 0.51 1.52 -2.12 0.00 0.00 175.29 175.28 2jxa s TYR 126 N 0.75 0.16 0.27 0.91 -0.85 -0.77 -1.45 117.35 116.37 2jxa s TYR 126 Ca 0.01 -0.53 0.12 0.00 -0.52 0.00 0.00 57.07 56.15 2jxa s TYR 126 Cb -0.14 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 2jxa s TYR 126 CO 0.02 -1.00 -0.20 -0.51 -1.52 0.00 0.00 175.55 172.35 2jxa s ASP 127 N -2.96 3.59 -0.31 -0.18 1.01 -1.01 -1.86 116.67 114.96 2jxa s ASP 127 Ca 0.17 -1.01 -0.05 0.00 0.71 0.00 0.00 52.55 52.37 2jxa s ASP 127 Cb -0.01 -0.31 0.04 0.00 1.01 0.00 0.00 42.92 43.65 2jxa s ASP 127 CO 0.05 0.04 0.05 0.00 0.21 0.00 0.00 175.17 175.53 2jxa s VAL 129 N 1.37 3.02 0.57 0.00 -7.23 -0.80 -4.76 120.40 112.57 2jxa s VAL 129 Ca -0.02 -1.88 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 2jxa s VAL 129 Cb -0.19 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 2jxa s VAL 129 CO 0.01 -0.21 1.00 -2.65 -0.31 0.00 0.00 175.10 172.94 2jxa n PRO 130 N -0.23 1.04 0.00 4.82 -0.02 -1.26 0.21 135.00 139.55 2jxa n PRO 130 Ca -0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2jxa n PRO 130 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2jxa n PRO 130 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2jxa n TYR 131 N -1.48 0.00 -3.32 6.00 9.36 -0.53 -4.58 117.16 122.61 2jxa n TYR 131 Ca 0.13 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.97 2jxa n TYR 131 Cb 0.46 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.11 2jxa n TYR 131 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2jxa s LYS 132 N 0.00 4.31 0.07 2.98 2.47 -1.26 -5.03 119.74 123.28 2jxa s LYS 132 Ca 0.00 0.47 -0.21 0.00 -1.56 0.00 0.00 55.97 54.67 2jxa s LYS 132 Cb 0.00 -3.41 -0.07 0.00 -1.46 0.00 0.00 37.83 32.89 2jxa s LYS 132 CO 0.00 0.21 0.61 0.54 0.16 0.00 0.00 175.35 176.87 2jxa s VAL 133 N 0.44 4.71 0.00 4.02 0.11 -1.26 -5.17 120.40 123.24 2jxa s VAL 133 Ca 0.26 1.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.62 2jxa s VAL 133 Cb -0.15 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 2jxa s VAL 133 CO 0.11 0.52 0.00 1.21 -3.33 0.00 0.00 175.10 173.61