#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwn h ASP 2 N 0.00 0.54 -4.31 0.00 3.45 -2.15 -3.45 116.42 110.50 3jwn h ASP 2 Ca 0.00 -0.60 -0.50 0.00 0.43 0.00 0.00 57.03 56.37 3jwn h ASP 2 Cb 0.00 -0.18 -0.22 0.00 -0.56 0.00 0.00 39.33 38.37 3jwn h ASP 2 CO 0.00 1.47 -0.81 -0.69 -1.57 0.00 0.00 179.24 177.64 3jwn s VAL 3 N -2.64 1.43 -0.24 -1.35 1.01 -1.26 -5.13 120.40 112.22 3jwn s VAL 3 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.57 3jwn s VAL 3 Cb 0.06 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 35.17 3jwn s VAL 3 CO 0.90 -0.08 -0.10 -0.89 0.00 0.00 0.00 175.10 174.93 3jwn s THR 4 N -1.12 2.47 -0.22 3.92 2.01 -1.26 -5.11 115.64 116.34 3jwn s THR 4 Ca 0.03 -1.25 -0.14 0.00 0.31 0.00 0.00 61.69 60.64 3jwn s THR 4 Cb -0.10 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3jwn s THR 4 CO 0.03 0.17 0.33 -0.63 -0.69 0.00 0.00 174.62 173.83 3jwn s ILE 5 N 1.24 5.24 -0.30 1.82 1.01 -1.26 -5.07 121.20 123.88 3jwn s ILE 5 Ca -0.02 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 3jwn s ILE 5 Cb -0.17 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3jwn s ILE 5 CO -0.06 0.27 0.10 -0.89 0.00 0.00 0.00 174.94 174.36 3jwn s THR 6 N 1.28 4.12 -0.23 2.92 2.01 -1.26 -5.09 115.64 119.39 3jwn s THR 6 Ca 0.16 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 3jwn s THR 6 Cb -0.14 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3jwn s THR 6 CO 0.07 0.05 0.14 -0.69 -0.69 0.00 0.00 174.62 173.50 3jwn s VAL 7 N 1.52 5.21 0.06 3.82 1.01 -1.26 -5.09 120.40 125.67 3jwn s VAL 7 Ca 0.03 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.21 3jwn s VAL 7 Cb -0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3jwn s VAL 7 CO 0.03 0.37 -0.19 0.20 0.00 0.00 0.00 175.10 175.51 3jwn s ASN 8 N 0.96 3.73 -0.07 3.32 0.01 -1.26 -5.13 114.94 116.50 3jwn s ASN 8 Ca 0.07 -0.48 -0.32 0.00 -0.71 0.00 0.00 52.86 51.42 3jwn s ASN 8 Cb -0.13 -0.55 0.13 0.00 0.41 0.00 0.00 41.25 41.10 3jwn s ASN 8 CO 0.03 0.24 1.27 -0.83 -1.51 0.00 0.00 177.10 176.30 3jwn s GLY 9 N -1.57 -0.38 0.01 0.66 0.00 -1.26 -5.18 107.32 99.60 3jwn s GLY 9 Ca 0.15 0.98 -0.00 0.00 0.00 0.00 0.00 44.72 45.84 3jwn s GLY 9 CO 0.06 0.25 -0.01 -1.59 0.00 0.00 0.00 173.10 171.81 3jwn s LYS 10 N -2.41 0.16 -0.25 2.90 -2.85 -1.26 -5.13 119.74 110.91 3jwn s LYS 10 Ca 0.13 -0.30 -0.18 0.00 -1.00 0.00 0.00 55.97 54.61 3jwn s LYS 10 Cb 0.03 0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 3jwn s LYS 10 CO -0.04 -0.03 0.52 0.08 0.10 0.00 0.00 175.35 175.98 3jwn s VAL 11 N -0.74 5.08 -0.05 1.79 1.01 -1.26 -5.07 120.40 121.15 3jwn s VAL 11 Ca -0.08 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3jwn s VAL 11 Cb -0.05 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3jwn s VAL 11 CO -0.00 0.10 -0.13 -0.69 0.00 0.00 0.00 175.10 174.37 3jwn s VAL 12 N 2.17 3.13 0.25 2.92 1.01 -1.26 -5.08 120.40 123.54 3jwn s VAL 12 Ca 0.22 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3jwn s VAL 12 Cb -0.16 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 3jwn s VAL 12 CO 0.09 0.59 1.04 0.00 0.00 0.00 0.00 175.10 176.82 3jwn s ALA 13 N -0.75 3.37 0.07 5.51 0.00 -1.26 -4.60 121.76 124.11 3jwn s ALA 13 Ca 0.12 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.89 3jwn s ALA 13 Cb -0.11 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3jwn s ALA 13 CO 0.01 -0.03 -0.11 0.15 0.00 0.00 0.00 175.76 175.78 3jwn s LYS 14 N -1.15 0.76 0.45 0.00 1.02 -1.26 -4.92 119.74 114.64 3jwn s LYS 14 Ca 0.44 -0.98 -0.25 0.00 0.02 0.00 0.00 55.97 55.20 3jwn s LYS 14 Cb -0.29 -0.60 -0.08 0.00 -0.52 0.00 0.00 37.83 36.34 3jwn s LYS 14 CO 0.37 0.12 1.38 -1.25 -0.92 0.00 0.00 175.35 175.04 3jwn s PRO 15 N -2.07 3.70 0.44 -1.68 0.04 -1.26 -4.49 135.00 129.68 3jwn s PRO 15 Ca -0.01 2.32 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 3jwn s PRO 15 Cb -0.07 -2.63 0.09 0.00 0.04 0.00 0.00 34.50 31.93 3jwn s PRO 15 CO 0.01 -0.77 0.61 0.00 0.04 0.00 0.00 177.00 176.89 3jwn s THR 17 N -1.91 4.96 -0.56 0.00 2.01 0.85 -4.96 115.64 116.03 3jwn s THR 17 Ca 0.38 0.88 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 3jwn s THR 17 Cb -0.02 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3jwn s THR 17 CO 0.26 -0.10 1.39 -0.69 -0.69 0.00 0.00 174.62 174.79 3jwn s VAL 18 N 2.56 3.81 -0.03 3.82 1.01 -1.26 -0.38 120.40 129.93 3jwn s VAL 18 Ca 0.25 0.70 -0.09 0.00 0.00 0.00 0.00 61.98 62.83 3jwn s VAL 18 Cb -0.15 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 3jwn s VAL 18 CO 0.11 -1.19 0.51 0.28 0.00 0.00 0.00 175.10 174.81 3jwn h SER 19 N 10.89 -0.28 -2.12 3.32 0.02 -1.48 -3.41 113.55 120.49 3jwn h SER 19 Ca -0.27 0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.11 3jwn h SER 19 Cb 1.09 0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 3jwn h SER 19 CO 1.18 0.01 1.06 0.42 -1.14 0.00 0.00 176.83 178.35 3jwn s THR 20 N -2.69 3.94 -0.06 -2.27 -4.23 -1.19 -4.85 115.64 104.28 3jwn s THR 20 Ca -0.05 -0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.10 3jwn s THR 20 Cb 0.00 -4.90 -0.18 0.00 1.34 0.00 0.00 72.50 68.76 3jwn s THR 20 CO 0.15 -1.79 0.93 0.74 -0.54 0.00 0.00 174.62 174.11 3jwn h THR 21 N 6.19 1.12 -3.33 3.99 2.02 -1.93 -3.43 112.91 117.54 3jwn h THR 21 Ca -0.14 -1.34 -0.62 0.00 0.77 0.00 0.00 66.41 65.08 3jwn h THR 21 Cb 1.04 1.91 -0.40 0.00 -1.74 0.00 0.00 68.15 68.96 3jwn h THR 21 CO 1.29 0.30 -0.72 0.20 0.37 0.00 0.00 175.52 176.96 3jwn s ASN 22 N -5.66 4.24 0.42 4.18 0.01 -1.26 -5.09 114.94 111.78 3jwn s ASN 22 Ca -0.14 -2.26 -0.23 0.00 -0.71 0.00 0.00 52.86 49.52 3jwn s ASN 22 Cb 0.00 -1.29 -0.09 0.00 0.41 0.00 0.00 41.25 40.29 3jwn s ASN 22 CO 0.55 -0.34 1.06 0.00 -1.51 0.00 0.00 177.10 176.86 3jwn s ALA 23 N 0.79 3.04 -0.11 0.60 0.00 -1.26 -5.05 121.76 119.76 3jwn s ALA 23 Ca 0.13 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.82 3jwn s ALA 23 Cb -0.21 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3jwn s ALA 23 CO -0.10 -0.29 -0.11 0.99 0.00 0.00 0.00 175.76 176.26 3jwn s THR 24 N -1.69 1.20 -0.16 0.00 2.01 -1.26 -5.11 115.64 110.64 3jwn s THR 24 Ca 0.60 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3jwn s THR 24 Cb -0.22 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3jwn s THR 24 CO 0.27 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.72 3jwn s VAL 25 N 1.30 2.31 -0.41 3.82 1.01 -1.26 -5.05 120.40 122.12 3jwn s VAL 25 Ca -0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3jwn s VAL 25 Cb -0.14 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.36 3jwn s VAL 25 CO -0.05 0.53 0.23 -0.62 0.00 0.00 0.00 175.10 175.20 3jwn s ASP 26 N 1.00 5.54 0.45 3.32 3.68 -1.26 -4.94 116.67 124.46 3jwn s ASP 26 Ca -0.02 -1.54 0.23 0.00 2.13 0.00 0.00 52.55 53.35 3jwn s ASP 26 Cb -0.15 -1.95 1.05 0.00 -1.45 0.00 0.00 42.92 40.42 3jwn s ASP 26 CO -0.05 -0.52 1.90 -0.07 0.13 0.00 0.00 175.17 176.56 3jwn h LEU 27 N 8.34 0.00 0.00 -1.34 3.38 -1.98 -3.49 115.31 120.21 3jwn h LEU 27 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3jwn h LEU 27 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3jwn h LEU 27 CO 0.73 0.23 0.00 0.61 0.09 0.00 0.00 178.44 180.10 3jwn n GLY 28 N -0.21 0.25 3.58 0.83 0.00 -1.26 -4.72 105.19 103.67 3jwn n GLY 28 Ca -0.01 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 3jwn n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jwn s ASP 29 N -4.00 6.15 0.19 1.61 1.01 -1.26 -5.06 116.67 115.32 3jwn s ASP 29 Ca 0.00 0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.34 3jwn s ASP 29 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 3jwn s ASP 29 CO 0.00 -0.18 0.25 -0.76 0.21 0.00 0.00 175.17 174.69 3jwn s LEU 30 N 1.94 4.11 -0.09 1.23 1.43 -1.26 -5.12 118.68 120.92 3jwn s LEU 30 Ca 0.11 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3jwn s LEU 30 Cb -0.16 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3jwn s LEU 30 CO 0.11 0.01 -0.22 -0.31 0.23 0.00 0.00 176.35 176.16 3jwn s TYR 31 N -1.87 2.41 0.30 0.29 1.51 -1.26 -5.03 117.35 113.69 3jwn s TYR 31 Ca 0.33 -0.98 0.03 0.00 -1.01 0.00 0.00 57.07 55.45 3jwn s TYR 31 Cb -0.10 -1.62 0.61 0.00 -0.11 0.00 0.00 41.96 40.74 3jwn s TYR 31 CO 0.27 -0.40 1.84 0.77 -1.11 0.00 0.00 175.55 176.92 3jwn h SER 32 N 6.73 0.88 0.69 2.29 0.02 -1.94 -1.60 113.55 120.63 3jwn h SER 32 Ca -0.21 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3jwn h SER 32 Cb 1.23 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3jwn h SER 32 CO 0.47 0.45 -0.12 0.49 -1.14 0.00 0.00 176.83 176.98 3jwn n PHE 33 N -4.62 0.00 1.17 3.45 3.72 -1.26 -1.60 117.46 118.31 3jwn n PHE 33 Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 3jwn n PHE 33 Cb 0.39 -0.35 0.24 0.00 -0.94 0.00 0.00 39.48 38.82 3jwn n PHE 33 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3jwn n SER 34 N -1.34 1.61 -2.32 4.37 7.64 -0.62 -4.46 113.62 118.50 3jwn n SER 34 Ca 0.10 -1.29 -0.18 0.00 1.01 0.00 0.00 58.87 58.51 3jwn n SER 34 Cb 0.31 0.22 0.02 0.00 -1.01 0.00 0.00 64.21 63.76 3jwn n SER 34 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3jwn n LEU 35 N -0.14 3.89 -0.05 -3.43 4.77 -0.63 -4.71 117.00 116.70 3jwn n LEU 35 Ca 0.12 -4.36 -0.22 0.00 -0.03 0.00 0.00 56.01 51.52 3jwn n LEU 35 Cb 0.41 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 3jwn n LEU 35 CO 0.25 1.85 -0.91 0.23 -1.33 0.00 0.00 177.39 177.48 3jwn n MET 36 N -0.60 0.69 -1.97 3.23 2.81 -1.19 -2.13 117.12 117.95 3jwn n MET 36 Ca 0.32 0.30 -0.38 0.00 -1.81 0.00 0.00 57.70 56.13 3jwn n MET 36 Cb 0.87 -1.66 0.01 0.00 -0.71 0.00 0.00 33.22 31.73 3jwn n MET 36 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3jwn s SER 37 N -6.95 5.81 -0.45 7.83 0.01 -1.26 -1.91 113.70 116.79 3jwn s SER 37 Ca -0.27 2.64 -0.28 0.00 1.31 0.00 0.00 55.95 59.34 3jwn s SER 37 Cb 0.08 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 3jwn s SER 37 CO 0.68 -1.19 1.64 0.00 0.41 0.00 0.00 173.24 174.78 3jwn s ALA 38 N -1.35 2.77 0.00 1.44 0.00 -1.26 -2.19 121.76 121.17 3jwn s ALA 38 Ca 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3jwn s ALA 38 Cb -0.37 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.68 3jwn s ALA 38 CO 0.46 -2.87 0.00 0.41 0.00 0.00 0.00 175.76 173.75 3jwn n GLY 39 N 5.36 0.99 3.78 0.00 0.00 0.11 -4.93 105.19 110.50 3jwn n GLY 39 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3jwn n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 40 N -2.00 2.88 0.13 4.61 0.00 -0.93 -4.85 121.76 121.60 3jwn s ALA 40 Ca 0.00 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 3jwn s ALA 40 Cb 0.00 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.82 3jwn s ALA 40 CO 0.00 -0.53 0.38 0.00 0.00 0.00 0.00 175.76 175.62 3jwn s ALA 41 N -1.75 -0.78 0.97 0.00 0.00 -1.26 -1.01 121.76 117.94 3jwn s ALA 41 Ca 0.66 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 3jwn s ALA 41 Cb -0.23 0.70 0.20 0.00 0.00 0.00 0.00 23.12 23.79 3jwn s ALA 41 CO 0.27 -0.65 1.28 -1.54 0.00 0.00 0.00 175.76 175.13 3jwn s SER 42 N -2.83 3.01 0.64 0.00 1.04 0.17 -4.97 113.70 110.75 3jwn s SER 42 Ca 0.05 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.69 3jwn s SER 42 Cb 0.02 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 65.65 3jwn s SER 42 CO -0.10 -2.81 1.11 0.00 0.98 0.00 0.00 173.24 172.42 3jwn s ALA 43 N -3.76 2.52 0.33 5.32 0.00 -1.26 -4.74 121.76 120.18 3jwn s ALA 43 Ca 0.72 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.98 3jwn s ALA 43 Cb -0.05 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 3jwn s ALA 43 CO 0.53 -1.18 1.08 -1.58 0.00 0.00 0.00 175.76 174.61 3jwn s TRP 44 N -2.29 3.43 -0.21 0.00 0.52 -1.26 -4.63 118.94 114.50 3jwn s TRP 44 Ca 0.67 1.67 0.01 0.00 0.02 0.00 0.00 56.10 58.48 3jwn s TRP 44 Cb -0.20 -3.23 0.04 0.00 -1.15 0.00 0.00 33.47 28.92 3jwn s TRP 44 CO 0.40 -0.63 -0.12 -1.01 0.02 0.00 0.00 176.95 175.60 3jwn s HIS 45 N -1.36 2.68 0.15 -1.98 3.76 0.50 -4.94 115.29 114.10 3jwn s HIS 45 Ca 0.50 -1.77 -0.31 0.00 -0.15 0.00 0.00 55.06 53.33 3jwn s HIS 45 Cb -0.28 -1.76 -0.10 0.00 1.11 0.00 0.00 32.58 31.55 3jwn s HIS 45 CO 0.36 -0.79 1.55 -0.51 -0.85 0.00 0.00 174.74 174.50 3jwn s ASP 46 N 1.31 6.62 -0.04 1.40 1.01 -1.26 -1.19 116.67 124.51 3jwn s ASP 46 Ca -0.02 2.57 0.01 0.00 0.71 0.00 0.00 52.55 55.83 3jwn s ASP 46 Cb -0.16 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.19 3jwn s ASP 46 CO -0.08 -0.80 -0.06 0.54 0.21 0.00 0.00 175.17 174.97 3jwn s VAL 47 N 1.22 0.63 -0.14 -1.27 0.11 -0.60 -4.94 120.40 115.41 3jwn s VAL 47 Ca 0.69 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 3jwn s VAL 47 Cb -0.43 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 3jwn s VAL 47 CO 0.31 0.23 -0.19 0.00 -3.33 0.00 0.00 175.10 172.12 3jwn s ALA 48 N 0.70 2.36 -0.18 1.54 0.00 -1.26 -1.41 121.76 123.50 3jwn s ALA 48 Ca -0.10 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 3jwn s ALA 48 Cb -0.13 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 3jwn s ALA 48 CO 0.01 0.02 0.26 -0.51 0.00 0.00 0.00 175.76 175.53 3jwn s LEU 49 N 0.74 4.23 -0.13 0.00 1.43 -0.89 -4.95 118.68 119.10 3jwn s LEU 49 Ca -0.08 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3jwn s LEU 49 Cb -0.16 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.77 3jwn s LEU 49 CO 0.00 0.11 -0.22 -1.61 0.23 0.00 0.00 176.35 174.86 3jwn s GLU 50 N 0.52 3.00 -0.10 1.70 0.41 -1.26 -1.37 118.70 121.59 3jwn s GLU 50 Ca 0.14 -0.85 0.02 0.00 -0.41 0.00 0.00 54.97 53.88 3jwn s GLU 50 Cb -0.13 -2.39 -0.01 0.00 -1.78 0.00 0.00 34.13 29.82 3jwn s GLU 50 CO 0.03 0.02 -0.19 -0.51 -0.49 0.00 0.00 175.26 174.12 3jwn s LEU 51 N 0.73 2.41 0.41 1.80 1.02 -0.86 -1.11 118.68 123.09 3jwn s LEU 51 Ca -0.09 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.67 3jwn s LEU 51 Cb -0.16 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 3jwn s LEU 51 CO 0.00 0.19 0.07 0.42 0.02 0.00 0.00 176.35 177.05 3jwn s THR 52 N 0.21 1.01 -1.29 5.49 -4.23 0.49 0.16 115.64 117.47 3jwn s THR 52 Ca -0.11 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 3jwn s THR 52 Cb -0.16 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.20 3jwn s THR 52 CO 0.06 0.00 0.62 0.59 -0.54 0.00 0.00 174.62 175.35 3jwn n ASN 53 N -1.11 -2.12 -4.66 3.99 3.02 -0.52 -0.11 115.26 113.75 3jwn n ASN 53 Ca -0.08 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 3jwn n ASN 53 Cb 0.66 -3.51 -0.02 0.00 -0.61 0.00 0.00 39.78 36.30 3jwn n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwn n PRO 55 N 6.00 2.26 -1.68 0.00 -0.02 -1.26 -4.85 135.00 135.45 3jwn n PRO 55 Ca 0.10 0.80 -0.45 0.00 -2.02 0.00 0.00 63.50 61.93 3jwn n PRO 55 Cb 0.47 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 3jwn n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3jwn n VAL 56 N 1.77 0.34 0.00 -1.45 0.31 -1.26 -1.27 118.33 116.77 3jwn n VAL 56 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3jwn n VAL 56 Cb 0.34 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3jwn n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jwn n GLY 57 N 4.06 2.00 3.63 2.92 0.00 -1.26 -4.96 105.19 111.57 3jwn n GLY 57 Ca 0.19 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3jwn n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwn s THR 58 N -0.41 5.00 -0.02 2.61 2.01 -0.39 -4.32 115.64 120.11 3jwn s THR 58 Ca 0.00 1.10 0.05 0.00 0.31 0.00 0.00 61.69 63.15 3jwn s THR 58 Cb 0.00 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 3jwn s THR 58 CO 0.00 0.05 0.12 -1.54 -0.69 0.00 0.00 174.62 172.55 3jwn n SER 59 N 5.61 3.57 -3.82 3.53 3.41 0.18 -4.82 113.62 121.28 3jwn n SER 59 Ca -0.01 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.40 3jwn n SER 59 Cb 0.49 1.21 -0.16 0.00 -0.26 0.00 0.00 64.21 65.50 3jwn n SER 59 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3jwn s ARG 60 N -2.28 0.15 -0.15 4.33 0.52 0.54 -0.02 118.95 122.03 3jwn s ARG 60 Ca -0.02 0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 3jwn s ARG 60 Cb 0.03 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.17 3jwn s ARG 60 CO 0.21 -0.10 -0.09 0.08 0.02 0.00 0.00 175.30 175.42 3jwn s VAL 61 N 0.76 3.38 -0.27 3.52 1.01 -0.61 -1.13 120.40 127.06 3jwn s VAL 61 Ca -0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3jwn s VAL 61 Cb -0.10 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3jwn s VAL 61 CO -0.02 0.50 0.01 -0.89 0.00 0.00 0.00 175.10 174.70 3jwn s THR 62 N 0.55 3.46 -0.06 3.92 2.01 0.43 -1.38 115.64 124.56 3jwn s THR 62 Ca -0.06 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 60.98 3jwn s THR 62 Cb -0.15 -2.76 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 3jwn s THR 62 CO 0.03 0.16 0.39 0.00 -0.69 0.00 0.00 174.62 174.50 3jwn s ALA 63 N 1.42 3.64 -0.17 7.40 0.00 0.46 -0.56 121.76 133.95 3jwn s ALA 63 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3jwn s ALA 63 Cb -0.17 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 3jwn s ALA 63 CO -0.01 0.31 -0.08 -1.12 0.00 0.00 0.00 175.76 174.87 3jwn s SER 64 N -0.42 4.29 -0.10 0.00 0.01 0.16 -1.32 113.70 116.33 3jwn s SER 64 Ca 0.22 -0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.07 3jwn s SER 64 Cb -0.15 -1.70 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 3jwn s SER 64 CO 0.10 0.09 0.23 -0.36 0.41 0.00 0.00 173.24 173.72 3jwn s PHE 65 N 0.79 3.61 -0.04 2.43 0.08 -0.12 -1.28 117.98 123.44 3jwn s PHE 65 Ca -0.03 0.66 -0.02 0.00 0.12 0.00 0.00 56.93 57.66 3jwn s PHE 65 Cb -0.15 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3jwn s PHE 65 CO 0.01 0.62 0.09 0.45 -0.10 0.00 0.00 175.22 176.29 3jwn s SER 66 N -0.75 -0.04 -0.23 1.36 0.15 0.98 0.18 113.70 115.35 3jwn s SER 66 Ca 0.17 0.18 -0.35 0.00 0.70 0.00 0.00 55.95 56.64 3jwn s SER 66 Cb -0.13 0.09 0.15 0.00 -1.71 0.00 0.00 66.02 64.42 3jwn s SER 66 CO 0.06 -0.11 1.27 -0.83 1.20 0.00 0.00 173.24 174.83 3jwn s GLY 67 N 0.86 -0.23 -0.22 9.45 0.00 -1.26 -0.08 107.32 115.84 3jwn s GLY 67 Ca -0.07 1.83 -0.29 0.00 0.00 0.00 0.00 44.72 46.19 3jwn s GLY 67 CO -0.03 0.63 1.41 0.00 0.00 0.00 0.00 173.10 175.11 3jwn s ALA 68 N -2.13 3.43 0.53 3.20 0.00 -1.26 -4.72 121.76 120.81 3jwn s ALA 68 Ca 0.10 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.52 3jwn s ALA 68 Cb -0.01 -3.76 0.06 0.00 0.00 0.00 0.00 23.12 19.42 3jwn s ALA 68 CO -0.04 -1.64 0.69 0.00 0.00 0.00 0.00 175.76 174.77 3jwn s ALA 69 N 4.37 4.62 0.00 0.00 0.00 -1.26 -0.33 121.76 129.16 3jwn s ALA 69 Ca 0.62 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3jwn s ALA 69 Cb -0.22 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3jwn s ALA 69 CO 0.23 -0.67 0.00 -0.40 0.00 0.00 0.00 175.76 174.92 3jwn n ASP 70 N -2.08 0.52 0.30 0.00 5.68 -1.05 -4.46 116.55 115.45 3jwn n ASP 70 Ca 0.12 -0.62 0.18 0.00 -0.50 0.00 0.00 54.79 53.96 3jwn n ASP 70 Cb 0.61 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.48 3jwn n ASP 70 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3jwn h SER 71 N 0.00 0.00 1.64 -1.12 4.64 -2.01 -2.21 113.55 114.49 3jwn h SER 71 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jwn h SER 71 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jwn h SER 71 CO 0.00 0.03 0.00 0.71 -0.87 0.00 0.00 176.83 176.70 3jwn h THR 72 N 0.00 0.00 0.00 2.95 1.35 -2.00 -3.47 112.91 111.74 3jwn h THR 72 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3jwn h THR 72 Cb 0.29 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3jwn h THR 72 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3jwn n GLY 73 N 0.77 2.87 3.83 5.82 0.00 -0.83 -5.06 105.19 112.58 3jwn n GLY 73 Ca 0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3jwn n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwn s TYR 74 N -2.49 1.78 0.08 1.61 2.02 -1.26 -4.65 117.35 114.43 3jwn s TYR 74 Ca 0.00 0.53 -0.31 0.00 -0.37 0.00 0.00 57.07 56.92 3jwn s TYR 74 Cb 0.00 -3.74 -0.06 0.00 -0.40 0.00 0.00 41.96 37.76 3jwn s TYR 74 CO 0.00 -2.70 1.21 0.71 -1.57 0.00 0.00 175.55 173.20 3jwn s TYR 75 N -3.54 3.42 0.30 2.71 2.02 -0.28 -2.53 117.35 119.45 3jwn s TYR 75 Ca 0.69 1.29 -0.29 0.00 -0.37 0.00 0.00 57.07 58.39 3jwn s TYR 75 Cb -0.08 -3.44 -0.10 0.00 -0.40 0.00 0.00 41.96 37.94 3jwn s TYR 75 CO 0.53 -1.35 1.25 0.21 -1.57 0.00 0.00 175.55 174.62 3jwn s LYS 76 N 0.95 4.44 -0.24 -0.62 2.20 0.56 -1.56 119.74 125.47 3jwn s LYS 76 Ca 0.59 2.08 -0.29 0.00 -0.36 0.00 0.00 55.97 57.98 3jwn s LYS 76 Cb -0.30 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3jwn s LYS 76 CO 0.30 -0.09 1.06 1.21 -0.36 0.00 0.00 175.35 177.47 3jwn s ASN 77 N -0.47 7.06 0.18 1.43 2.47 -1.26 -4.79 114.94 119.56 3jwn s ASN 77 Ca 0.49 1.33 0.26 0.00 0.42 0.00 0.00 52.86 55.35 3jwn s ASN 77 Cb -0.37 -2.54 0.70 0.00 -1.45 0.00 0.00 41.25 37.59 3jwn s ASN 77 CO 0.47 -0.72 1.66 0.00 -3.72 0.00 0.00 177.10 174.80 3jwn n GLN 78 N 6.44 0.26 -0.94 0.43 1.13 0.90 -4.88 117.38 120.72 3jwn n GLN 78 Ca 0.12 0.17 -0.20 0.00 -1.94 0.00 0.00 57.00 55.16 3jwn n GLN 78 Cb 0.46 -1.76 0.15 0.00 0.11 0.00 0.00 30.24 29.20 3jwn n GLN 78 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwn n GLY 79 N 1.32 -2.11 0.10 1.08 0.00 -1.18 -4.84 105.19 99.56 3jwn n GLY 79 Ca 0.05 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 3jwn n GLY 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3jwn h THR 80 N -1.98 1.11 -2.06 2.61 1.35 -1.67 -3.46 112.91 108.82 3jwn h THR 80 Ca -0.28 -2.81 -0.60 0.00 -0.55 0.00 0.00 66.41 62.17 3jwn h THR 80 Cb 0.82 2.68 0.02 0.00 -1.73 0.00 0.00 68.15 69.94 3jwn h THR 80 CO 0.19 0.78 1.15 0.00 -0.25 0.00 0.00 175.52 177.39 3jwn n ALA 81 N -2.64 1.05 -2.05 6.62 0.00 -0.87 -4.75 120.51 117.88 3jwn n ALA 81 Ca -0.16 0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 3jwn n ALA 81 Cb 1.03 -2.55 0.04 0.00 0.00 0.00 0.00 19.45 17.97 3jwn n ALA 81 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3jwn s GLN 82 N 4.33 2.61 -1.36 0.00 1.11 -1.25 -4.49 119.66 120.62 3jwn s GLN 82 Ca 0.93 -0.48 -0.05 0.00 0.01 0.00 0.00 55.36 55.76 3jwn s GLN 82 Cb -0.64 -2.39 0.03 0.00 -1.01 0.00 0.00 33.01 29.00 3jwn s GLN 82 CO 0.49 -0.75 0.90 0.09 0.01 0.00 0.00 175.29 176.03 3jwn n ASN 83 N -2.47 -3.13 -3.79 5.90 4.13 -1.26 -2.02 115.26 112.62 3jwn n ASN 83 Ca 0.06 -0.73 -0.13 0.00 1.68 0.00 0.00 54.58 55.46 3jwn n ASN 83 Cb 0.59 -4.34 -0.10 0.00 -1.54 0.00 0.00 39.78 34.39 3jwn n ASN 83 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3jwn s ILE 84 N -3.46 0.04 0.06 2.41 2.07 -1.26 -4.30 121.20 116.75 3jwn s ILE 84 Ca 0.28 -0.29 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3jwn s ILE 84 Cb -0.13 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 3jwn s ILE 84 CO 0.79 -0.16 -0.01 -1.10 -1.91 0.00 0.00 174.94 172.55 3jwn s GLN 85 N -0.66 0.65 -0.14 3.50 1.11 0.92 -4.20 119.66 120.85 3jwn s GLN 85 Ca -0.08 -1.21 -0.05 0.00 0.01 0.00 0.00 55.36 54.03 3jwn s GLN 85 Cb -0.04 0.22 -0.04 0.00 -1.01 0.00 0.00 33.01 32.14 3jwn s GLN 85 CO 0.02 -0.13 0.05 -0.51 0.01 0.00 0.00 175.29 174.73 3jwn s LEU 86 N -2.92 3.82 -0.14 2.90 2.01 -0.60 -0.70 118.68 123.04 3jwn s LEU 86 Ca 0.08 0.17 0.02 0.00 0.01 0.00 0.00 54.13 54.41 3jwn s LEU 86 Cb 0.08 -1.93 0.01 0.00 0.01 0.00 0.00 46.19 44.36 3jwn s LEU 86 CO -0.09 0.29 -0.21 -0.70 1.01 0.00 0.00 176.35 176.65 3jwn s GLU 87 N -0.32 2.93 -0.12 1.70 2.12 -0.36 -1.12 118.70 123.52 3jwn s GLU 87 Ca 0.08 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 3jwn s GLU 87 Cb -0.12 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 3jwn s GLU 87 CO 0.02 -0.06 0.05 -1.17 -0.54 0.00 0.00 175.26 173.56 3jwn s LEU 88 N 0.92 3.83 0.06 2.70 2.96 -1.26 -2.07 118.68 125.82 3jwn s LEU 88 Ca -0.05 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3jwn s LEU 88 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 3jwn s LEU 88 CO -0.04 0.32 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.21 3jwn s GLN 89 N -0.54 0.65 0.86 1.98 -0.21 -0.05 -0.70 119.66 121.66 3jwn s GLN 89 Ca 0.10 -1.22 -0.09 0.00 0.02 0.00 0.00 55.36 54.17 3jwn s GLN 89 Cb -0.12 0.22 0.17 0.00 1.00 0.00 0.00 33.01 34.28 3jwn s GLN 89 CO 0.02 -0.13 1.18 0.16 -2.12 0.00 0.00 175.29 174.40 3jwn s ASP 90 N -2.92 3.63 0.00 5.90 -4.77 -1.07 0.10 116.67 117.54 3jwn s ASP 90 Ca 0.08 -0.04 0.09 0.00 -3.30 0.00 0.00 52.55 49.39 3jwn s ASP 90 Cb 0.08 -0.14 0.41 0.00 -1.09 0.00 0.00 42.92 42.18 3jwn s ASP 90 CO -0.09 -2.37 1.29 0.47 0.70 0.00 0.00 175.17 175.17 3jwn n ASP 91 N -3.36 0.70 -0.75 2.11 9.92 -0.49 -3.09 116.55 121.59 3jwn n ASP 91 Ca 0.15 -1.84 0.09 0.00 -0.53 0.00 0.00 54.79 52.66 3jwn n ASP 91 Cb 0.60 -0.07 0.09 0.00 -0.64 0.00 0.00 41.12 41.10 3jwn n ASP 91 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3jwn n SER 92 N -0.19 2.60 0.00 -2.24 7.64 -1.26 -5.00 113.62 115.17 3jwn n SER 92 Ca 0.08 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.19 3jwn n SER 92 Cb 0.13 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3jwn n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwn n GLY 93 N 1.01 0.83 3.53 0.23 0.00 -1.18 -5.07 105.19 104.55 3jwn n GLY 93 Ca 0.11 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3jwn n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwn s ASN 94 N -2.67 5.45 -0.19 1.61 0.01 -1.26 -4.96 114.94 112.93 3jwn s ASN 94 Ca 0.00 -0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.77 3jwn s ASN 94 Cb 0.00 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 3jwn s ASN 94 CO 0.00 0.02 1.39 -0.89 -1.51 0.00 0.00 177.10 176.11 3jwn s THR 95 N 1.29 4.04 -1.06 1.60 2.01 -1.26 -2.60 115.64 119.66 3jwn s THR 95 Ca 0.05 1.23 -0.03 0.00 0.31 0.00 0.00 61.69 63.25 3jwn s THR 95 Cb -0.15 -3.91 0.31 0.00 0.01 0.00 0.00 72.50 68.77 3jwn s THR 95 CO 0.04 -0.24 1.53 0.18 -0.69 0.00 0.00 174.62 175.44 3jwn n LEU 96 N 7.26 6.53 -4.68 4.42 4.77 0.12 -4.99 117.00 130.44 3jwn n LEU 96 Ca 0.15 -5.26 -0.29 0.00 -0.03 0.00 0.00 56.01 50.59 3jwn n LEU 96 Cb 0.45 -1.24 0.19 0.00 -2.33 0.00 0.00 43.42 40.50 3jwn n LEU 96 CO 0.60 1.77 0.66 0.20 -1.33 0.00 0.00 177.39 179.29 3jwn s ASN 97 N -1.76 2.19 0.24 -1.43 0.01 -1.26 -4.58 114.94 108.34 3jwn s ASN 97 Ca 0.33 0.91 -0.31 0.00 -0.71 0.00 0.00 52.86 53.08 3jwn s ASN 97 Cb 0.08 -1.40 -0.14 0.00 0.41 0.00 0.00 41.25 40.20 3jwn s ASN 97 CO 0.07 -3.37 1.28 1.07 -1.51 0.00 0.00 177.10 174.64 3jwn n THR 98 N -4.30 1.14 -0.07 1.60 5.66 -1.26 -1.66 114.28 115.39 3jwn n THR 98 Ca 0.08 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3jwn n THR 98 Cb 0.58 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 3jwn n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3jwn n GLY 99 N 1.89 1.62 3.85 1.09 0.00 0.13 -4.97 105.19 108.79 3jwn n GLY 99 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3jwn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 100 N -2.66 2.67 0.08 4.61 0.00 -0.67 -4.79 121.76 121.00 3jwn s ALA 100 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3jwn s ALA 100 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3jwn s ALA 100 CO 0.00 -1.29 -0.06 0.95 0.00 0.00 0.00 175.76 175.36 3jwn s THR 101 N -3.22 0.57 -0.09 0.00 -4.23 -1.26 -0.95 115.64 106.46 3jwn s THR 101 Ca 0.59 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 3jwn s THR 101 Cb -0.13 -1.42 0.03 0.00 1.34 0.00 0.00 72.50 72.32 3jwn s THR 101 CO 0.53 -0.80 0.22 -0.75 -0.54 0.00 0.00 174.62 173.28 3jwn s LYS 102 N -3.39 0.23 -0.10 3.99 2.20 -0.43 -5.00 119.74 117.25 3jwn s LYS 102 Ca 0.06 0.37 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3jwn s LYS 102 Cb 0.03 0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 3jwn s LYS 102 CO -0.05 -0.08 -0.21 0.99 -0.36 0.00 0.00 175.35 175.65 3jwn s THR 103 N 0.52 2.38 0.21 3.43 2.01 -1.26 -0.41 115.64 122.52 3jwn s THR 103 Ca -0.03 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.13 3jwn s THR 103 Cb -0.05 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 3jwn s THR 103 CO -0.03 0.55 -0.16 0.68 -0.69 0.00 0.00 174.62 174.98 3jwn s VAL 104 N 0.17 1.89 -0.07 3.82 -7.23 -0.48 -4.98 120.40 113.52 3jwn s VAL 104 Ca -0.12 -2.19 -0.25 0.00 -1.81 0.00 0.00 61.98 57.62 3jwn s VAL 104 Cb -0.16 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3jwn s VAL 104 CO 0.06 -0.50 0.76 -1.10 -0.31 0.00 0.00 175.10 174.02 3jwn s GLN 105 N -3.45 4.44 0.15 4.82 -1.52 -1.26 -1.57 119.66 121.28 3jwn s GLN 105 Ca 0.22 0.99 -0.31 0.00 -1.95 0.00 0.00 55.36 54.31 3jwn s GLN 105 Cb -0.03 -3.47 -0.09 0.00 -0.22 0.00 0.00 33.01 29.21 3jwn s GLN 105 CO 0.08 -0.01 1.49 0.08 -0.25 0.00 0.00 175.29 176.68 3jwn s VAL 106 N 1.02 2.89 -0.22 1.09 1.01 0.97 -4.69 120.40 122.47 3jwn s VAL 106 Ca 0.40 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3jwn s VAL 106 Cb -0.18 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3jwn s VAL 106 CO 0.19 0.05 1.11 -0.62 0.00 0.00 0.00 175.10 175.83 3jwn s ASP 107 N 1.06 7.05 0.19 3.32 -1.08 0.04 -4.90 116.67 122.34 3jwn s ASP 107 Ca 0.67 1.46 0.05 0.00 -0.52 0.00 0.00 52.55 54.21 3jwn s ASP 107 Cb -0.41 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.57 3jwn s ASP 107 CO 0.32 -0.71 1.43 -0.78 0.52 0.00 0.00 175.17 175.95 3jwn h ASP 108 N 7.71 0.15 0.26 -0.34 -0.00 -1.93 0.33 116.42 122.59 3jwn h ASP 108 Ca -0.21 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.03 56.66 3jwn h ASP 108 Cb 1.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 40.35 3jwn h ASP 108 CO 0.98 0.90 -0.21 0.77 -0.00 0.00 0.00 179.24 181.68 3jwn h SER 109 N 0.07 0.00 0.00 2.28 4.64 -1.97 -3.23 113.55 115.34 3jwn h SER 109 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3jwn h SER 109 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3jwn h SER 109 CO 0.12 0.21 -0.71 -1.54 -0.87 0.00 0.00 176.83 174.03 3jwn n SER 110 N -4.12 1.37 -3.19 4.97 3.41 -1.15 -5.02 113.62 109.87 3jwn n SER 110 Ca -0.02 -0.44 -0.17 0.00 -0.26 0.00 0.00 58.87 57.97 3jwn n SER 110 Cb 0.27 1.13 0.08 0.00 -0.26 0.00 0.00 64.21 65.43 3jwn n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwn n GLN 111 N -1.39 -6.36 -3.71 4.33 1.13 0.11 -4.63 117.38 106.87 3jwn n GLN 111 Ca 0.00 0.75 -0.14 0.00 -1.94 0.00 0.00 57.00 55.67 3jwn n GLN 111 Cb 0.15 -5.50 -0.08 0.00 0.11 0.00 0.00 30.24 24.91 3jwn n GLN 111 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3jwn s SER 112 N -3.85 -0.34 0.13 1.08 1.04 -1.00 -0.01 113.70 110.75 3jwn s SER 112 Ca 0.20 0.38 0.07 0.00 0.48 0.00 0.00 55.95 57.08 3jwn s SER 112 Cb -0.09 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3jwn s SER 112 CO 0.65 -0.41 -0.05 0.00 0.98 0.00 0.00 173.24 174.41 3jwn s ALA 113 N -0.95 3.10 -0.06 5.32 0.00 0.12 -0.78 121.76 128.52 3jwn s ALA 113 Ca -0.10 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.59 3jwn s ALA 113 Cb -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3jwn s ALA 113 CO 0.04 0.60 -0.01 -1.58 0.00 0.00 0.00 175.76 174.81 3jwn s HIS 114 N -1.41 0.67 -0.42 0.00 2.46 -1.26 -2.03 115.29 113.29 3jwn s HIS 114 Ca 0.24 -0.17 -0.10 0.00 0.47 0.00 0.00 55.06 55.50 3jwn s HIS 114 Cb -0.11 -0.73 0.07 0.00 -0.13 0.00 0.00 32.58 31.69 3jwn s HIS 114 CO 0.16 -0.27 0.27 -0.06 -2.47 0.00 0.00 174.74 172.37 3jwn s PHE 115 N 1.57 3.31 -0.71 3.88 0.08 -0.47 -4.95 117.98 120.69 3jwn s PHE 115 Ca -0.01 -1.37 -0.22 0.00 0.12 0.00 0.00 56.93 55.45 3jwn s PHE 115 Cb -0.13 -2.91 0.08 0.00 -0.57 0.00 0.00 43.02 39.49 3jwn s PHE 115 CO -0.03 -0.81 1.01 -1.25 -0.10 0.00 0.00 175.22 174.03 3jwn s PRO 116 N 1.47 3.19 0.43 0.24 0.04 -1.26 -2.10 135.00 137.01 3jwn s PRO 116 Ca 0.03 -0.96 0.07 0.00 0.04 0.00 0.00 61.00 60.18 3jwn s PRO 116 Cb -0.23 -4.36 -0.03 0.00 0.04 0.00 0.00 34.50 29.93 3jwn s PRO 116 CO 0.03 -1.83 0.29 -0.51 0.04 0.00 0.00 177.00 175.02 3jwn s LEU 117 N 3.94 3.20 -0.15 -3.56 1.43 -0.50 -1.40 118.68 121.63 3jwn s LEU 117 Ca 0.25 -0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 3jwn s LEU 117 Cb -0.14 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3jwn s LEU 117 CO 0.07 -0.65 0.40 0.00 0.23 0.00 0.00 176.35 176.40 3jwn s GLN 118 N -4.04 0.45 0.14 1.70 -2.07 0.12 -1.56 119.66 114.40 3jwn s GLN 118 Ca 0.43 0.61 0.11 0.00 -1.82 0.00 0.00 55.36 54.69 3jwn s GLN 118 Cb 0.00 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 3jwn s GLN 118 CO 0.25 -0.08 -0.26 0.08 -1.32 0.00 0.00 175.29 173.96 3jwn s VAL 119 N 0.45 2.23 0.14 3.63 1.01 -0.34 -0.87 120.40 126.65 3jwn s VAL 119 Ca -0.02 -1.79 -0.18 0.00 0.00 0.00 0.00 61.98 59.99 3jwn s VAL 119 Cb -0.04 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.40 3jwn s VAL 119 CO -0.02 0.04 0.46 0.00 0.00 0.00 0.00 175.10 175.57 3jwn s ARG 120 N -2.16 1.13 0.02 2.72 1.70 -0.88 -0.37 118.95 121.11 3jwn s ARG 120 Ca 0.15 -0.65 -0.10 0.00 -0.47 0.00 0.00 55.73 54.65 3jwn s ARG 120 Cb -0.10 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3jwn s ARG 120 CO 0.07 -0.46 0.34 0.00 -1.08 0.00 0.00 175.30 174.17 3jwn s ALA 121 N -3.79 3.76 0.11 7.88 0.00 -1.26 -1.22 121.76 127.24 3jwn s ALA 121 Ca 0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 3jwn s ALA 121 Cb 0.01 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 3jwn s ALA 121 CO -0.12 0.57 0.18 -0.48 0.00 0.00 0.00 175.76 175.91 3jwn s LEU 122 N -1.55 1.42 -0.31 0.00 2.34 0.12 0.43 118.68 121.13 3jwn s LEU 122 Ca 0.27 -0.81 0.02 0.00 0.06 0.00 0.00 54.13 53.67 3jwn s LEU 122 Cb -0.14 0.93 0.09 0.00 -0.56 0.00 0.00 46.19 46.50 3jwn s LEU 122 CO 0.15 -0.77 0.03 0.28 -1.06 0.00 0.00 176.35 174.98 3jwn s THR 123 N -3.92 1.85 0.11 5.48 -1.32 -0.18 -0.05 115.64 117.61 3jwn s THR 123 Ca 0.11 -1.89 -0.18 0.00 -1.21 0.00 0.00 61.69 58.52 3jwn s THR 123 Cb 0.05 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 3jwn s THR 123 CO -0.06 -0.47 1.67 0.58 -2.21 0.00 0.00 174.62 174.12 3jwn h VAL 124 N 6.61 1.17 0.00 5.08 2.07 -1.84 0.35 116.25 129.69 3jwn h VAL 124 Ca -0.10 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 3jwn h VAL 124 Cb 1.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3jwn h VAL 124 CO 0.49 0.18 -1.31 0.78 0.02 0.00 0.00 177.57 177.72 3jwn h ASN 125 N 0.34 0.00 -5.00 0.57 2.35 -1.90 -3.16 115.58 108.78 3jwn h ASN 125 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3jwn h ASN 125 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3jwn h ASN 125 CO -0.01 0.45 0.00 0.61 -1.65 0.00 0.00 177.43 176.83 3jwn n GLY 126 N 1.35 2.17 1.98 2.83 0.00 -1.23 -4.34 105.19 107.95 3jwn n GLY 126 Ca -0.07 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 3jwn n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwn n GLY 127 N 1.66 -0.17 3.61 -0.02 0.00 -0.80 -4.89 105.19 104.58 3jwn n GLY 127 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3jwn n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 128 N -3.05 3.11 0.60 4.61 0.00 -0.91 -4.65 121.76 121.47 3jwn s ALA 128 Ca 0.06 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 3jwn s ALA 128 Cb -0.01 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 3jwn s ALA 128 CO 0.22 -2.24 1.03 0.95 0.00 0.00 0.00 175.76 175.71 3jwn s THR 129 N 5.53 4.42 0.54 0.00 -4.23 -0.86 -4.63 115.64 116.40 3jwn s THR 129 Ca 0.67 0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 61.91 3jwn s THR 129 Cb -0.19 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 3jwn s THR 129 CO 0.31 -0.87 1.34 -1.58 -0.54 0.00 0.00 174.62 173.27 3jwn s GLN 130 N -4.67 3.21 0.00 3.99 0.74 -1.26 -3.79 119.66 117.89 3jwn s GLN 130 Ca 0.58 2.19 0.00 0.00 0.05 0.00 0.00 55.36 58.18 3jwn s GLN 130 Cb -0.12 -2.28 0.00 0.00 1.10 0.00 0.00 33.01 31.71 3jwn s GLN 130 CO 0.45 -1.12 0.00 0.41 -0.55 0.00 0.00 175.29 174.48 3jwn n GLY 131 N 0.69 0.19 3.89 2.59 0.00 -1.26 -3.97 105.19 107.32 3jwn n GLY 131 Ca 0.10 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3jwn n GLY 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jwn s THR 132 N -2.85 5.17 -0.25 2.61 -4.23 -1.26 -4.47 115.64 110.36 3jwn s THR 132 Ca 0.00 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 3jwn s THR 132 Cb 0.00 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 3jwn s THR 132 CO 0.00 0.10 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.54 3jwn s ILE 133 N -1.60 3.52 -0.10 2.99 1.01 -1.26 -1.71 121.20 124.06 3jwn s ILE 133 Ca 0.39 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3jwn s ILE 133 Cb -0.12 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.71 3jwn s ILE 133 CO 0.23 0.30 0.14 -1.58 0.00 0.00 0.00 174.94 174.03 3jwn s GLN 134 N 1.47 0.04 -0.07 2.79 -0.44 -1.26 -4.84 119.66 117.35 3jwn s GLN 134 Ca 0.04 0.42 -0.13 0.00 -2.50 0.00 0.00 55.36 53.19 3jwn s GLN 134 Cb -0.15 -0.61 0.03 0.00 -1.64 0.00 0.00 33.01 30.64 3jwn s GLN 134 CO -0.01 -0.40 0.32 0.00 0.50 0.00 0.00 175.29 175.69 3jwn s ALA 135 N 2.26 -0.79 -0.10 1.58 0.00 -1.26 -0.07 121.76 123.39 3jwn s ALA 135 Ca 0.04 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 3jwn s ALA 135 Cb -0.13 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.77 3jwn s ALA 135 CO -0.06 -0.20 -0.04 0.54 0.00 0.00 0.00 175.76 175.99 3jwn s VAL 136 N -0.55 0.71 -0.24 0.00 0.11 -1.26 -5.08 120.40 114.09 3jwn s VAL 136 Ca -0.07 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 58.77 3jwn s VAL 136 Cb -0.04 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 3jwn s VAL 136 CO 0.02 0.29 0.15 -0.63 -3.33 0.00 0.00 175.10 171.61 3jwn s ILE 137 N 1.83 5.25 0.09 7.04 1.01 -1.26 -4.69 121.20 130.48 3jwn s ILE 137 Ca 0.05 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 3jwn s ILE 137 Cb -0.13 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 3jwn s ILE 137 CO -0.07 0.34 0.50 -0.44 0.00 0.00 0.00 174.94 175.27 3jwn s SER 138 N 1.15 6.84 0.01 3.58 0.01 0.88 -4.93 113.70 121.24 3jwn s SER 138 Ca 0.07 1.05 0.02 0.00 1.31 0.00 0.00 55.95 58.40 3jwn s SER 138 Cb -0.14 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 3jwn s SER 138 CO 0.05 0.20 -0.07 0.27 0.41 0.00 0.00 173.24 174.10 3jwn s ILE 139 N -1.30 0.49 0.01 1.44 -4.36 -1.26 -0.02 121.20 116.21 3jwn s ILE 139 Ca 0.32 -0.56 0.08 0.00 -0.26 0.00 0.00 60.65 60.23 3jwn s ILE 139 Cb -0.16 -0.47 -0.02 0.00 1.25 0.00 0.00 42.46 43.05 3jwn s ILE 139 CO 0.18 -0.06 -0.25 -0.89 0.24 0.00 0.00 174.94 174.15 3jwn s THR 140 N -0.60 2.03 -0.12 8.37 2.01 -0.41 -4.93 115.64 121.99 3jwn s THR 140 Ca -0.02 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 60.75 3jwn s THR 140 Cb -0.05 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3jwn s THR 140 CO 0.00 0.48 0.02 -0.31 -0.69 0.00 0.00 174.62 174.12 3jwn s TYR 141 N -0.67 3.19 0.12 4.92 2.02 -1.26 0.38 117.35 126.04 3jwn s TYR 141 Ca 0.10 0.12 0.10 0.00 -0.37 0.00 0.00 57.07 57.02 3jwn s TYR 141 Cb -0.10 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3jwn s TYR 141 CO 0.00 0.35 -0.23 0.95 -1.57 0.00 0.00 175.55 175.05 3jwn s THR 142 N -0.46 2.53 0.09 -0.71 -4.23 0.28 -4.99 115.64 108.15 3jwn s THR 142 Ca 0.09 -1.61 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 3jwn s THR 142 Cb -0.12 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 3jwn s THR 142 CO 0.02 0.12 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.66 3jwn s TYR 143 N -1.08 2.36 0.00 3.99 1.51 -1.26 -0.43 117.35 122.44 3jwn s TYR 143 Ca 0.16 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3jwn s TYR 143 Cb -0.10 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 3jwn s TYR 143 CO 0.08 0.25 0.00 -1.13 -1.11 0.00 0.00 175.55 173.64