#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa h LEU 30 N 0.00 0.47 -5.00 0.99 -0.00 -2.00 -3.30 115.31 106.47 2jxa h LEU 30 Ca 0.00 -0.36 -0.61 0.00 -0.00 0.00 0.00 57.88 56.92 2jxa h LEU 30 Cb 0.00 -0.13 0.02 0.00 -0.00 0.00 0.00 40.66 40.56 2jxa h LEU 30 CO 0.00 0.72 3.48 -0.81 -0.00 0.00 0.00 178.44 181.83 2jxa n PRO 31 N -4.57 3.41 0.00 1.13 -0.04 -1.26 -4.53 135.00 129.13 2jxa n PRO 31 Ca -0.04 -2.04 0.14 0.00 -0.04 0.00 0.00 63.50 61.53 2jxa n PRO 31 Cb 0.29 -2.71 0.85 0.00 -0.04 0.00 0.00 33.50 31.89 2jxa n PRO 31 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jxa n PHE 32 N 3.60 0.00 -2.21 0.54 7.35 -1.25 -4.86 117.46 120.64 2jxa n PHE 32 Ca 0.73 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 57.34 2jxa n PHE 32 Cb 0.25 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.08 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jxa n GLY 33 N 0.83 0.11 3.50 7.13 0.00 -1.26 -5.01 105.19 110.48 2jxa n GLY 33 Ca 0.21 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.68 2jxa n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jxa s LEU 34 N -2.20 -0.97 -0.01 0.99 1.98 -1.26 -5.09 118.68 112.13 2jxa s LEU 34 Ca 0.02 1.20 -0.01 0.00 -2.89 0.00 0.00 54.13 52.45 2jxa s LEU 34 Cb -0.01 2.05 0.00 0.00 0.66 0.00 0.00 46.19 48.90 2jxa s LEU 34 CO 0.03 -0.18 0.03 0.23 -1.89 0.00 0.00 176.35 174.56 2jxa n MET 35 N 5.30 -3.44 -3.09 1.98 2.81 -1.26 -4.96 117.12 114.46 2jxa n MET 35 Ca -0.10 2.52 -0.30 0.00 -1.81 0.00 0.00 57.70 58.02 2jxa n MET 35 Cb 0.51 -3.34 -0.03 0.00 -0.71 0.00 0.00 33.22 29.64 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jxa s ARG 36 N -0.40 3.73 -0.04 0.03 0.52 -0.03 -4.90 118.95 117.86 2jxa s ARG 36 Ca -0.03 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.43 2jxa s ARG 36 Cb 0.00 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.98 2jxa s ARG 36 CO 0.08 0.09 0.09 0.50 0.02 0.00 0.00 175.30 176.08 2jxa s ARG 37 N -3.65 0.08 0.02 3.54 3.52 -1.26 -1.84 118.95 119.36 2jxa s ARG 37 Ca 0.48 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 56.29 2jxa s ARG 37 Cb -0.10 -0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2jxa s ARG 37 CO 0.30 -0.06 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.42 2jxa s GLU 38 N 0.41 0.66 -0.01 5.12 8.01 -0.80 -5.01 118.70 127.09 2jxa s GLU 38 Ca -0.03 -0.49 0.00 0.00 0.01 0.00 0.00 54.97 54.46 2jxa s GLU 38 Cb -0.04 -0.60 0.01 0.00 -4.31 0.00 0.00 34.13 29.18 2jxa s GLU 38 CO -0.02 0.15 0.00 -1.17 0.01 0.00 0.00 175.26 174.24 2jxa s LEU 39 N -0.71 1.67 -0.01 1.80 0.20 -1.26 -1.56 118.68 118.80 2jxa s LEU 39 Ca -0.00 -0.00 -0.04 0.00 0.69 0.00 0.00 54.13 54.78 2jxa s LEU 39 Cb -0.06 -0.06 0.00 0.00 -0.43 0.00 0.00 46.19 45.64 2jxa s LEU 39 CO 0.00 -0.04 0.09 0.00 -0.29 0.00 0.00 176.35 176.11 2jxa s ALA 40 N 0.38 -0.20 0.17 5.97 0.00 -0.95 -4.97 121.76 122.16 2jxa s ALA 40 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 2jxa s ALA 40 Cb -0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 2jxa s ALA 40 CO -0.01 -0.12 1.26 0.00 0.00 0.00 0.00 175.76 176.90 2jxa n GLU 42 N 2.87 0.65 0.00 0.00 2.13 -1.05 -2.27 120.64 122.97 2jxa n GLU 42 Ca 0.06 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2jxa n GLU 42 Cb 0.44 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.72 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 1.65 1.41 3.52 8.31 0.00 -1.07 -4.93 105.19 114.08 2jxa n GLY 43 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.32 2.49 0.41 1.61 2.02 -0.96 -4.81 117.35 115.79 2jxa s TYR 44 Ca 0.00 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 2jxa s TYR 44 Cb 0.00 -1.19 -0.09 0.00 -0.40 0.00 0.00 41.96 40.28 2jxa s TYR 44 CO 0.00 0.55 1.04 -1.25 -1.57 0.00 0.00 175.55 174.32 2jxa s PRO 45 N -2.95 4.11 0.06 -1.71 0.04 -1.26 -1.11 135.00 132.18 2jxa s PRO 45 Ca 0.25 1.46 0.09 0.00 0.04 0.00 0.00 61.00 62.84 2jxa s PRO 45 Cb -0.08 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2jxa s PRO 45 CO 0.14 -0.18 -0.23 -1.50 0.04 0.00 0.00 177.00 175.27 2jxa s ILE 46 N -1.74 2.41 -0.09 0.56 2.07 0.11 -4.89 121.20 119.63 2jxa s ILE 46 Ca 0.59 -1.39 0.02 0.00 -1.41 0.00 0.00 60.65 58.46 2jxa s ILE 46 Cb -0.20 -1.99 0.01 0.00 0.13 0.00 0.00 42.46 40.41 2jxa s ILE 46 CO 0.25 0.30 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.74 2jxa s GLU 47 N -1.49 2.01 0.03 3.50 2.12 -1.26 -1.99 118.70 121.63 2jxa s GLU 47 Ca 0.13 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 55.01 2jxa s GLU 47 Cb -0.10 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.58 2jxa s GLU 47 CO 0.04 -0.00 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.14 2jxa s LEU 48 N 0.80 2.96 -0.16 2.70 1.43 -0.69 -4.98 118.68 120.75 2jxa s LEU 48 Ca -0.11 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2jxa s LEU 48 Cb -0.16 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2jxa s LEU 48 CO 0.02 0.26 0.39 -0.13 0.23 0.00 0.00 176.35 177.12 2jxa s ARG 49 N -1.50 0.38 -0.02 1.70 0.52 -1.26 -2.01 118.95 116.76 2jxa s ARG 49 Ca 0.17 0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 56.06 2jxa s ARG 49 Cb -0.11 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2jxa s ARG 49 CO 0.07 -0.14 0.18 0.00 0.02 0.00 0.00 175.30 175.43 2jxa s PRO 51 N -1.88 2.52 3.99 0.00 0.04 -1.26 -4.70 135.00 133.70 2jxa s PRO 51 Ca 0.27 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2jxa s PRO 51 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2jxa s PRO 51 CO 0.18 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2jxa n GLY 52 N -1.60 3.03 1.40 0.56 0.00 -1.26 -1.39 105.19 105.94 2jxa n GLY 52 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 2.79 3.84 -4.86 1.61 3.41 -1.26 -5.00 113.62 114.14 2jxa n SER 53 Ca 0.00 -3.32 -0.30 0.00 -0.26 0.00 0.00 58.87 55.00 2jxa n SER 53 Cb 0.00 -0.65 0.08 0.00 -0.26 0.00 0.00 64.21 63.37 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 -1.77 4.79 0.02 4.04 1.01 -0.49 -3.65 116.67 120.63 2jxa s ASP 54 Ca 0.48 1.06 0.06 0.00 0.71 0.00 0.00 52.55 54.86 2jxa s ASP 54 Cb 0.40 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.57 2jxa s ASP 54 CO 0.08 -1.75 -0.17 0.68 0.21 0.00 0.00 175.17 174.22 2jxa s VAL 55 N -3.36 1.34 0.29 -1.27 -7.23 0.17 -4.30 120.40 106.05 2jxa s VAL 55 Ca 0.60 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 2jxa s VAL 55 Cb -0.12 -1.16 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 2jxa s VAL 55 CO 0.52 0.20 1.33 -0.63 -0.31 0.00 0.00 175.10 176.21 2jxa s ILE 56 N -0.66 2.79 -0.33 -0.62 1.01 0.41 -1.99 121.20 121.81 2jxa s ILE 56 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2jxa s ILE 56 Cb -0.08 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 39.03 2jxa s ILE 56 CO 0.01 0.15 0.11 0.00 0.00 0.00 0.00 174.94 175.22 2jxa s MET 57 N -1.23 0.88 0.08 2.79 0.23 -0.19 -1.58 119.30 120.27 2jxa s MET 57 Ca 0.52 -1.30 -0.31 0.00 -1.03 0.00 0.00 55.69 53.57 2jxa s MET 57 Cb -0.40 -2.16 -0.09 0.00 -1.53 0.00 0.00 34.83 30.65 2jxa s MET 57 CO 0.48 -1.01 1.79 0.08 -2.03 0.00 0.00 175.02 174.33 2jxa s VAL 58 N 1.35 2.86 -0.23 5.16 1.01 -1.26 -2.51 120.40 126.77 2jxa s VAL 58 Ca 0.11 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 2jxa s VAL 58 Cb -0.19 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 2jxa s VAL 58 CO -0.19 -0.01 -0.28 -0.62 0.00 0.00 0.00 175.10 174.00 2jxa n GLU 59 N 6.14 0.50 -3.79 2.72 1.02 -0.90 -4.96 120.64 121.37 2jxa n GLU 59 Ca 0.18 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.39 2jxa n GLU 59 Cb 0.40 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jxa s ASN 60 N -6.91 -0.18 -0.10 1.62 0.01 -1.03 -5.05 114.94 103.29 2jxa s ASN 60 Ca -0.32 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 2jxa s ASN 60 Cb 0.12 0.40 0.11 0.00 0.41 0.00 0.00 41.25 42.28 2jxa s ASN 60 CO 0.42 -0.28 0.88 0.00 -1.51 0.00 0.00 177.10 176.61 2jxa s ALA 61 N -0.70 -1.86 0.01 0.60 0.00 -1.26 -0.51 121.76 118.05 2jxa s ALA 61 Ca -0.08 1.43 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 2jxa s ALA 61 Cb -0.04 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2jxa s ALA 61 CO 0.02 -0.37 0.33 1.21 0.00 0.00 0.00 175.76 176.95 2jxa s ASN 62 N -1.29 -0.19 -0.12 0.00 2.47 -0.42 -3.72 114.94 111.66 2jxa s ASN 62 Ca -0.04 -0.01 0.02 0.00 0.42 0.00 0.00 52.86 53.25 2jxa s ASN 62 Cb -0.00 0.35 0.01 0.00 -1.45 0.00 0.00 41.25 40.16 2jxa s ASN 62 CO 0.03 -0.54 -0.19 -0.47 -3.72 0.00 0.00 177.10 172.22 2jxa s TYR 63 N -1.91 2.32 0.00 0.43 5.04 -1.26 -1.62 117.35 120.35 2jxa s TYR 63 Ca -0.09 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.40 2jxa s TYR 63 Cb -0.03 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.66 2jxa s TYR 63 CO 0.01 -0.54 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 2jxa n GLY 64 N 4.13 -0.29 3.40 8.97 0.00 -0.62 -3.01 105.19 117.77 2jxa n GLY 64 Ca -0.19 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.26 0.47 0.00 1.61 3.52 -0.94 -0.09 118.95 122.26 2jxa s ARG 65 Ca 0.00 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 2jxa s ARG 65 Cb 0.00 0.54 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 2jxa s ARG 65 CO 0.00 -0.30 0.77 0.25 -0.81 0.00 0.00 175.30 175.20 2jxa n THR 66 N 5.42 0.59 -3.89 4.11 -2.24 -1.26 -1.13 114.28 115.88 2jxa n THR 66 Ca -0.09 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 60.91 2jxa n THR 66 Cb 0.49 0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 69.39 2jxa n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jxa s ASP 67 N -0.59 0.08 0.00 3.42 2.15 -1.26 -4.84 116.67 115.64 2jxa s ASP 67 Ca 0.00 -0.36 0.12 0.00 0.43 0.00 0.00 52.55 52.74 2jxa s ASP 67 Cb 0.00 0.23 0.09 0.00 -0.30 0.00 0.00 42.92 42.94 2jxa s ASP 67 CO 0.00 -0.46 0.88 -0.90 -0.17 0.00 0.00 175.17 174.52 2jxa n ASP 68 N 1.05 1.98 -0.90 -0.34 5.75 -1.26 -4.43 116.55 118.39 2jxa n ASP 68 Ca -0.21 -1.49 0.08 0.00 -0.01 0.00 0.00 54.79 53.17 2jxa n ASP 68 Cb 0.57 0.04 0.21 0.00 -1.03 0.00 0.00 41.12 40.90 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jxa n LYS 69 N 0.63 2.62 -4.90 0.11 5.02 -1.26 -4.92 118.16 115.46 2jxa n LYS 69 Ca 0.07 -2.21 -0.33 0.00 -2.02 0.00 0.00 58.31 53.83 2jxa n LYS 69 Cb 0.30 -1.38 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.05 3.03 -0.92 -0.18 -1.09 -1.26 -4.70 121.20 115.03 2jxa s ILE 70 Ca 0.32 -0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2jxa s ILE 70 Cb 0.17 -2.19 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 2jxa s ILE 70 CO 0.23 0.59 0.79 0.00 -1.23 0.00 0.00 174.94 175.32 2jxa n ASP 72 N -2.52 2.17 -0.73 0.00 5.68 -1.26 -4.93 116.55 114.97 2jxa n ASP 72 Ca -0.06 1.09 0.00 0.00 -0.50 0.00 0.00 54.79 55.32 2jxa n ASP 72 Cb 0.57 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jxa n ALA 73 N 5.00 0.00 -1.77 2.12 0.00 -1.26 -5.12 120.51 119.48 2jxa n ALA 73 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 2jxa n ALA 73 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.42 6.11 0.38 0.00 -4.77 -1.26 -4.82 116.67 111.90 2jxa s ASP 74 Ca 0.00 2.81 0.12 0.00 -3.30 0.00 0.00 52.55 52.18 2jxa s ASP 74 Cb 0.00 -2.65 0.93 0.00 -1.09 0.00 0.00 42.92 40.11 2jxa s ASP 74 CO 0.00 -1.00 1.87 1.55 0.70 0.00 0.00 175.17 178.29 2jxa h PRO 75 N 2.54 0.55 -0.27 2.11 0.13 -2.00 -0.28 132.00 134.78 2jxa h PRO 75 Ca -0.50 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 2jxa h PRO 75 Cb 1.25 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2jxa h PRO 75 CO 0.62 0.36 -0.08 0.74 -0.23 0.00 0.00 178.00 179.42 2jxa h PHE 76 N 0.57 0.46 0.00 1.56 0.04 -1.96 0.23 116.94 117.84 2jxa h PHE 76 Ca 0.44 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2jxa h PHE 76 Cb 0.85 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.88 2jxa h PHE 76 CO -0.00 0.51 -0.26 1.04 -0.60 0.00 0.00 178.31 179.00 2jxa n GLN 77 N -4.25 0.15 0.00 1.51 6.02 -0.21 -3.24 117.38 117.35 2jxa n GLN 77 Ca 0.01 0.08 0.09 0.00 -0.01 0.00 0.00 57.00 57.17 2jxa n GLN 77 Cb 0.28 -1.63 0.04 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.87 1.61 0.17 -1.09 2.81 -0.54 -0.62 117.12 117.58 2jxa n MET 78 Ca 0.05 -1.29 -0.14 0.00 -1.81 0.00 0.00 57.70 54.51 2jxa n MET 78 Cb 0.39 -1.35 -0.07 0.00 -0.71 0.00 0.00 33.22 31.47 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 2.96 -0.40 -6.14 0.03 4.39 -0.56 -3.42 114.58 111.44 2jxa h GLU 79 Ca 0.00 0.03 -0.57 0.00 0.34 0.00 0.00 59.36 59.16 2jxa h GLU 79 Cb 0.72 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 2jxa h GLU 79 CO 0.00 -0.27 0.67 1.21 -1.16 0.00 0.00 179.01 179.46 2jxa s ASN 80 N -4.83 7.14 -0.30 1.42 2.47 -1.26 -4.93 114.94 114.65 2jxa s ASN 80 Ca -0.15 1.42 0.09 0.00 0.42 0.00 0.00 52.86 54.64 2jxa s ASN 80 Cb 0.06 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.87 2jxa s ASN 80 CO 0.65 -0.55 1.55 1.33 -3.72 0.00 0.00 177.10 176.35 2jxa n VAL 81 N 4.96 2.64 -3.42 -5.21 0.24 -1.26 -4.80 118.33 111.48 2jxa n VAL 81 Ca 0.10 -2.45 -0.23 0.00 -2.04 0.00 0.00 64.34 59.71 2jxa n VAL 81 Cb 0.47 -0.34 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 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 -3.19 0.57 -0.11 7.34 -0.21 -0.82 -4.01 119.66 119.22 2jxa s GLN 82 Ca 0.47 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.73 2jxa s GLN 82 Cb 0.41 -1.02 0.06 0.00 1.00 0.00 0.00 33.01 33.46 2jxa s GLN 82 CO 0.03 -1.19 0.23 0.00 -2.12 0.00 0.00 175.29 172.24 2jxa s TYR 84 N 2.28 1.44 -0.36 0.00 1.51 -1.26 -2.21 117.35 118.75 2jxa s TYR 84 Ca 0.01 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 2jxa s TYR 84 Cb -0.12 -0.77 0.15 0.00 -0.11 0.00 0.00 41.96 41.11 2jxa s TYR 84 CO -0.08 0.15 0.33 -1.17 -1.11 0.00 0.00 175.55 173.67 2jxa s LEU 85 N -2.24 0.16 0.24 -1.29 2.96 -1.16 -4.91 118.68 112.44 2jxa s LEU 85 Ca 0.07 -1.64 -0.06 0.00 -0.22 0.00 0.00 54.13 52.27 2jxa s LEU 85 Cb -0.07 0.33 0.43 0.00 0.50 0.00 0.00 46.19 47.38 2jxa s LEU 85 CO 0.03 -0.28 1.68 -0.65 -1.32 0.00 0.00 176.35 175.81 2jxa h PRO 86 N 7.17 0.23 -0.14 0.98 0.11 -1.92 -0.86 132.00 137.57 2jxa h PRO 86 Ca 0.03 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.17 2jxa h PRO 86 Cb 1.04 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2jxa h PRO 86 CO 0.23 0.15 0.34 -0.44 -0.21 0.00 0.00 178.00 178.07 2jxa h ASP 87 N 0.24 0.00 -0.74 -2.05 5.19 -1.96 -0.63 116.42 116.47 2jxa h ASP 87 Ca 0.40 0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.97 2jxa h ASP 87 Cb 0.67 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.13 2jxa h ASP 87 CO -0.52 0.00 0.50 0.00 -3.12 0.00 0.00 179.24 176.10 2jxa h ALA 88 N 1.45 2.21 -0.39 3.45 0.00 -1.45 -0.93 119.26 123.59 2jxa h ALA 88 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jxa h ALA 88 Cb 0.76 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2jxa h ALA 88 CO -0.00 -0.42 0.08 0.35 0.00 0.00 0.00 179.25 179.27 2jxa h PHE 89 N 0.34 0.67 -0.63 0.00 3.57 -1.19 -2.58 116.94 117.12 2jxa h PHE 89 Ca 0.36 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 2jxa h PHE 89 Cb 0.94 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2jxa h PHE 89 CO -0.00 0.65 0.04 1.57 -2.23 0.00 0.00 178.31 178.34 2jxa h LYS 90 N 0.49 1.09 0.14 1.11 2.10 -1.35 -1.35 116.57 118.81 2jxa h LYS 90 Ca 0.12 -0.33 -0.01 0.00 -2.00 0.00 0.00 60.65 58.43 2jxa h LYS 90 Cb 0.33 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2jxa h LYS 90 CO 0.00 1.04 -0.07 0.82 -2.00 0.00 0.00 179.45 179.25 2jxa h ILE 91 N 1.00 0.88 -0.34 0.07 2.04 -1.35 -2.23 117.51 117.58 2jxa h ILE 91 Ca 0.18 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.87 2jxa h ILE 91 Cb 0.52 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2jxa h ILE 91 CO 0.03 0.01 -0.27 0.24 0.00 0.00 0.00 178.15 178.16 2jxa h MET 92 N -0.21 0.71 -0.57 2.37 2.86 -1.44 -2.50 114.93 116.15 2jxa h MET 92 Ca -0.02 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2jxa h MET 92 Cb 0.16 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2jxa h MET 92 CO 0.03 0.90 0.37 0.77 1.06 0.00 0.00 176.91 180.04 2jxa h SER 93 N 0.61 0.66 -0.47 1.22 0.02 -1.14 0.41 113.55 114.87 2jxa h SER 93 Ca 0.08 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2jxa h SER 93 Cb 0.77 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2jxa h SER 93 CO 0.06 0.50 0.01 1.56 -1.14 0.00 0.00 176.83 177.82 2jxa h GLN 94 N 0.77 0.89 0.01 3.45 4.20 -1.32 0.58 115.11 123.68 2jxa h GLN 94 Ca 0.21 -0.25 -0.20 0.00 0.06 0.00 0.00 58.65 58.46 2jxa h GLN 94 Cb -0.06 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2jxa h GLN 94 CO -0.04 0.88 -0.90 0.00 -0.67 0.00 0.00 178.83 178.09 2jxa h ARG 95 N 0.82 0.23 0.00 1.46 3.08 -0.94 -3.37 114.38 115.66 2jxa h ARG 95 Ca 0.16 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2jxa h ARG 95 Cb 0.48 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2jxa h ARG 95 CO 0.02 0.99 -0.92 0.00 -1.07 0.00 0.00 179.97 178.99 2jxa s ASN 97 N -2.43 6.50 -0.25 0.00 0.01 0.20 -1.80 114.94 117.17 2jxa s ASN 97 Ca -0.00 2.82 0.00 0.00 -0.71 0.00 0.00 52.86 54.97 2jxa s ASN 97 Cb 0.06 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2jxa s ASN 97 CO 0.36 -0.82 0.00 0.59 -1.51 0.00 0.00 177.10 175.72 2jxa n ASN 98 N 2.21 -5.20 -4.55 -1.22 4.13 -0.62 -4.95 115.26 105.05 2jxa n ASN 98 Ca 0.07 0.06 -0.31 0.00 1.68 0.00 0.00 54.58 56.08 2jxa n ASN 98 Cb 0.39 -2.91 -0.11 0.00 -1.54 0.00 0.00 39.78 35.61 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 -1.77 2.35 0.24 3.52 0.52 -0.74 -4.81 118.95 118.25 2jxa s ARG 99 Ca 0.00 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.44 2jxa s ARG 99 Cb 0.00 -2.38 0.27 0.00 0.52 0.00 0.00 34.95 33.36 2jxa s ARG 99 CO 0.00 0.57 1.56 1.15 0.02 0.00 0.00 175.30 178.60 2jxa h THR 100 N 3.71 1.44 -3.23 0.02 2.02 -1.85 1.20 112.91 116.21 2jxa h THR 100 Ca -0.48 -2.15 -0.09 0.00 0.77 0.00 0.00 66.41 64.46 2jxa h THR 100 Cb 1.16 2.14 -0.16 0.00 -1.74 0.00 0.00 68.15 69.55 2jxa h THR 100 CO 0.52 0.62 -0.19 0.00 0.37 0.00 0.00 175.52 176.84 2jxa s GLN 101 N -3.60 0.86 -0.19 6.66 1.03 -1.26 0.10 119.66 123.27 2jxa s GLN 101 Ca -0.02 -0.48 -0.17 0.00 0.04 0.00 0.00 55.36 54.73 2jxa s GLN 101 Cb 0.12 0.38 0.05 0.00 0.03 0.00 0.00 33.01 33.59 2jxa s GLN 101 CO 0.78 -0.29 0.50 0.00 -2.54 0.00 0.00 175.29 173.74 2jxa s VAL 103 N 0.30 2.22 0.02 0.00 1.01 -1.26 -1.71 120.40 120.98 2jxa s VAL 103 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2jxa s VAL 103 Cb -0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2jxa s VAL 103 CO 0.00 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.01 2jxa s VAL 104 N 0.24 0.12 -0.24 2.92 1.01 -0.84 -4.95 120.40 118.66 2jxa s VAL 104 Ca -0.15 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 2jxa s VAL 104 Cb -0.17 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2jxa s VAL 104 CO 0.08 -0.54 0.66 -0.69 0.00 0.00 0.00 175.10 174.61 2jxa s VAL 105 N -1.93 4.97 0.00 2.92 1.01 -1.26 0.07 120.40 126.18 2jxa s VAL 105 Ca -0.11 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2jxa s VAL 105 Cb -0.06 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2jxa s VAL 105 CO -0.02 0.03 0.81 0.00 0.00 0.00 0.00 175.10 175.93 2jxa n ALA 106 N 5.60 2.50 0.00 5.51 0.00 -0.27 -4.67 120.51 129.19 2jxa n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jxa n ALA 106 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.65 -0.33 3.98 0.00 0.00 -1.26 -2.61 105.19 106.61 2jxa n GLY 107 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.64 113.62 116.22 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 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.27 0.07 0.04 -3.46 8.00 -1.26 -1.44 116.55 116.22 2jxa n ASP 109 Ca 0.00 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.15 2jxa n ASP 109 Cb 0.00 -0.54 0.49 0.00 -0.02 0.00 0.00 41.12 41.05 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 2.11 -3.54 2.24 0.00 -0.77 -4.70 120.51 114.33 2jxa n ALA 110 Ca 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2jxa n ALA 110 Cb 0.07 -1.42 -0.14 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 -3.07 -0.11 0.00 0.00 0.08 0.19 -4.91 117.98 110.17 2jxa s PHE 111 Ca 0.11 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.50 2jxa s PHE 111 Cb 0.14 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2jxa s PHE 111 CO 0.48 -0.12 0.00 -2.30 -0.10 0.00 0.00 175.22 173.18 2jxa n PRO 112 N 3.89 2.04 -3.46 0.24 -0.02 -1.26 -4.58 135.00 131.85 2jxa n PRO 112 Ca -0.23 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 60.97 2jxa n PRO 112 Cb 0.53 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.90 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 -2.50 2.50 0.16 2.55 2.15 -1.26 -4.93 116.67 115.35 2jxa s ASP 113 Ca 0.00 -2.54 0.09 0.00 0.43 0.00 0.00 52.55 50.53 2jxa s ASP 113 Cb 0.00 -0.47 -0.10 0.00 -0.30 0.00 0.00 42.92 42.05 2jxa s ASP 113 CO 0.00 -0.26 1.34 1.55 -0.17 0.00 0.00 175.17 177.64 2jxa h PRO 114 N 6.50 0.00 -1.31 4.34 0.13 -1.93 -3.42 132.00 136.31 2jxa h PRO 114 Ca 0.13 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.04 2jxa h PRO 114 Cb 0.94 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.86 2jxa h PRO 114 CO 0.32 0.87 -0.57 0.00 -0.23 0.00 0.00 178.00 178.39 2jxa s PRO 116 N 1.07 4.38 0.00 0.00 0.04 -1.26 -3.56 135.00 135.67 2jxa s PRO 116 Ca 0.25 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2jxa s PRO 116 Cb -0.03 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2jxa s PRO 116 CO -0.07 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2jxa n GLY 117 N 0.89 0.52 3.43 0.56 0.00 -1.26 -5.09 105.19 104.25 2jxa n GLY 117 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 2.58 -0.74 2.61 2.01 -1.23 -4.36 115.64 114.51 2jxa s THR 118 Ca 0.00 -1.40 -0.24 0.00 0.31 0.00 0.00 61.69 60.36 2jxa s THR 118 Cb 0.00 -2.11 0.06 0.00 0.01 0.00 0.00 72.50 70.46 2jxa s THR 118 CO 0.00 0.24 1.13 -0.47 -0.69 0.00 0.00 174.62 174.84 2jxa s TYR 119 N -0.98 2.56 0.00 4.92 5.04 0.21 -4.98 117.35 124.12 2jxa s TYR 119 Ca 0.15 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 2jxa s TYR 119 Cb -0.10 -4.45 0.00 0.00 0.35 0.00 0.00 41.96 37.76 2jxa s TYR 119 CO 0.06 -1.81 0.00 1.63 -1.34 0.00 0.00 175.55 174.08 2jxa n LYS 120 N 8.31 0.16 -3.71 4.97 5.02 -1.26 -4.86 118.16 126.78 2jxa n LYS 120 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 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 -0.68 -0.15 -0.10 2.13 -0.85 0.88 -2.53 117.35 116.05 2jxa s TYR 121 Ca 0.00 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.44 2jxa s TYR 121 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.98 2jxa s TYR 121 CO 0.00 -0.75 -0.13 -1.17 -1.52 0.00 0.00 175.55 171.98 2jxa s LEU 122 N -2.88 1.58 -0.13 -3.49 2.96 -0.59 -1.58 118.68 114.55 2jxa s LEU 122 Ca 0.11 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2jxa s LEU 122 Cb -0.01 -0.98 -0.00 0.00 0.50 0.00 0.00 46.19 45.70 2jxa s LEU 122 CO 0.00 -0.02 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.14 2jxa s GLU 123 N 1.11 3.19 -0.05 1.98 2.56 -0.64 -2.24 118.70 124.61 2jxa s GLU 123 Ca -0.05 -0.78 -0.00 0.00 0.00 0.00 0.00 54.97 54.13 2jxa s GLU 123 Cb -0.14 -2.50 0.03 0.00 2.00 0.00 0.00 34.13 33.51 2jxa s GLU 123 CO -0.02 0.13 -0.01 0.08 -0.56 0.00 0.00 175.26 174.87 2jxa s VAL 124 N 0.52 0.37 -0.13 3.70 1.01 -0.60 -1.30 120.40 123.97 2jxa s VAL 124 Ca -0.12 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2jxa s VAL 124 Cb -0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2jxa s VAL 124 CO 0.04 0.22 -0.11 -1.10 0.00 0.00 0.00 175.10 174.16 2jxa s GLN 125 N 1.45 3.40 0.30 2.72 -0.21 0.34 -1.90 119.66 125.74 2jxa s GLN 125 Ca -0.03 -0.64 -0.13 0.00 0.02 0.00 0.00 55.36 54.58 2jxa s GLN 125 Cb -0.13 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.21 2jxa s GLN 125 CO -0.03 0.25 0.57 1.52 -2.12 0.00 0.00 175.29 175.49 2jxa s TYR 126 N 0.27 0.37 0.21 0.91 -0.85 -0.76 -2.11 117.35 115.38 2jxa s TYR 126 Ca -0.08 -0.78 0.09 0.00 -0.52 0.00 0.00 57.07 55.78 2jxa s TYR 126 Cb -0.15 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.48 2jxa s TYR 126 CO 0.05 -1.16 -0.17 -0.51 -1.52 0.00 0.00 175.55 172.24 2jxa s ASP 127 N -3.06 2.82 -0.26 -0.18 1.01 -1.05 -0.85 116.67 115.11 2jxa s ASP 127 Ca 0.21 -0.98 -0.08 0.00 0.71 0.00 0.00 52.55 52.41 2jxa s ASP 127 Cb -0.02 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 2jxa s ASP 127 CO 0.11 -0.09 0.08 0.00 0.21 0.00 0.00 175.17 175.48 2jxa s VAL 129 N 1.61 1.71 0.50 0.00 -7.23 -0.84 -4.82 120.40 111.33 2jxa s VAL 129 Ca 0.06 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 2jxa s VAL 129 Cb -0.15 -1.93 -0.07 0.00 0.56 0.00 0.00 36.38 34.78 2jxa s VAL 129 CO 0.04 -0.50 1.23 -2.65 -0.31 0.00 0.00 175.10 172.91 2jxa n PRO 130 N -0.10 1.63 0.07 4.82 -0.02 -1.26 0.46 135.00 140.60 2jxa n PRO 130 Ca -0.10 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2jxa n PRO 130 Cb 0.59 -2.40 0.44 0.00 -0.02 0.00 0.00 33.50 32.11 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 -0.79 0.51 -3.67 6.00 9.36 -1.24 -4.63 117.16 122.69 2jxa n TYR 131 Ca 0.09 0.18 -0.37 0.00 3.32 0.00 0.00 57.90 61.13 2jxa n TYR 131 Cb 0.43 -0.80 -0.07 0.00 -0.63 0.00 0.00 39.34 38.27 2jxa n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jxa s LYS 132 N -3.16 3.91 -0.09 2.98 1.02 -1.26 -5.08 119.74 118.06 2jxa s LYS 132 Ca 0.07 0.05 -0.03 0.00 0.02 0.00 0.00 55.97 56.08 2jxa s LYS 132 Cb 0.11 -3.30 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 2jxa s LYS 132 CO 0.40 0.52 0.12 0.08 -0.92 0.00 0.00 175.35 175.55 2jxa s VAL 133 N -0.37 -0.19 0.00 3.17 1.01 -1.26 -5.17 120.40 117.60 2jxa s VAL 133 Ca 0.16 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jxa s VAL 133 Cb -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2jxa s VAL 133 CO 0.05 0.05 0.00 1.21 0.00 0.00 0.00 175.10 176.42