#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwp s LYS 3 N 0.00 1.25 -0.24 1.64 -2.85 -1.25 -4.92 119.74 113.36 3jwp s LYS 3 Ca 0.00 -0.77 -0.23 0.00 -1.00 0.00 0.00 55.97 53.97 3jwp s LYS 3 Cb 0.00 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 3jwp s LYS 3 CO 0.00 -0.58 0.75 0.34 0.10 0.00 0.00 175.35 175.95 3jwp s ASP 4 N -3.24 6.74 -0.39 0.03 -1.08 -1.26 -4.22 116.67 113.24 3jwp s ASP 4 Ca 0.19 0.91 -0.13 0.00 -0.52 0.00 0.00 52.55 53.00 3jwp s ASP 4 Cb -0.02 -2.40 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 3jwp s ASP 4 CO 0.04 -0.44 0.25 -0.89 0.52 0.00 0.00 175.17 174.65 3jwp s THR 5 N 2.63 4.86 -0.14 1.71 2.01 -1.26 -4.79 115.64 120.66 3jwp s THR 5 Ca 0.32 -0.80 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 3jwp s THR 5 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3jwp s THR 5 CO 0.08 -0.28 0.57 -1.58 -0.69 0.00 0.00 174.62 172.72 3jwp s GLN 6 N 1.60 4.31 0.20 4.92 2.00 -1.06 -4.81 119.66 126.82 3jwp s GLN 6 Ca 0.03 0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 53.67 3jwp s GLN 6 Cb -0.19 -3.49 -0.09 0.00 0.80 0.00 0.00 33.01 30.04 3jwp s GLN 6 CO 0.08 -0.01 1.31 -1.12 -0.50 0.00 0.00 175.29 175.05 3jwp s SER 7 N 0.88 6.89 0.38 6.67 0.01 -1.26 -2.24 113.70 125.04 3jwp s SER 7 Ca 0.29 2.41 0.04 0.00 1.31 0.00 0.00 55.95 59.99 3jwp s SER 7 Cb -0.16 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 3jwp s SER 7 CO 0.12 -0.53 0.10 0.27 0.41 0.00 0.00 173.24 173.61 3jwp s ILE 8 N 0.09 0.82 0.33 1.44 -0.00 -0.58 -4.89 121.20 118.41 3jwp s ILE 8 Ca 0.57 -2.00 0.04 0.00 -0.00 0.00 0.00 60.65 59.25 3jwp s ILE 8 Cb -0.37 -2.48 -0.02 0.00 -0.00 0.00 0.00 42.46 39.59 3jwp s ILE 8 CO 0.38 0.00 0.48 0.42 -0.00 0.00 0.00 174.94 176.23 3jwp s THR 9 N -3.23 4.61 0.33 8.37 -4.23 -1.26 -4.43 115.64 115.79 3jwp s THR 9 Ca 0.27 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 3jwp s THR 9 Cb 0.05 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.56 3jwp s THR 9 CO 0.14 -0.31 1.79 -0.07 -0.54 0.00 0.00 174.62 175.63 3jwp h LEU 10 N 0.87 0.71 -0.24 4.79 3.38 -1.97 0.32 115.31 123.16 3jwp h LEU 10 Ca -0.48 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 3jwp h LEU 10 Cb 1.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3jwp h LEU 10 CO 0.58 0.25 -0.41 -0.33 0.09 0.00 0.00 178.44 178.61 3jwp h GLU 11 N 0.69 0.00 -0.08 1.13 3.07 -1.94 -1.68 114.58 115.76 3jwp h GLU 11 Ca 0.57 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.36 3jwp h GLU 11 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3jwp h GLU 11 CO -0.35 0.41 -0.21 1.49 -1.40 0.00 0.00 179.01 178.95 3jwp h GLU 12 N 0.00 0.29 -0.46 2.33 4.57 -1.46 -2.86 114.58 116.98 3jwp h GLU 12 Ca -0.00 -0.20 0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3jwp h GLU 12 Cb 1.22 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 3jwp h GLU 12 CO 0.05 0.81 0.04 1.25 -1.18 0.00 0.00 179.01 179.98 3jwp h LEU 13 N -0.18 -0.12 -0.79 1.64 5.85 -0.88 -1.26 115.31 119.57 3jwp h LEU 13 Ca -0.00 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.97 3jwp h LEU 13 Cb 0.81 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 3jwp h LEU 13 CO 0.05 -0.03 0.33 0.00 -0.34 0.00 0.00 178.44 178.44 3jwp h ALA 14 N 1.39 1.13 -0.12 1.25 0.00 -1.30 0.43 119.26 122.05 3jwp h ALA 14 Ca 0.23 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3jwp h ALA 14 Cb 0.33 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3jwp h ALA 14 CO -0.35 -0.22 -0.18 -0.22 0.00 0.00 0.00 179.25 178.29 3jwp h LYS 15 N 0.46 0.19 -0.06 0.00 3.11 -1.02 -0.47 116.57 118.78 3jwp h LYS 15 Ca 0.44 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 58.19 3jwp h LYS 15 Cb 0.69 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 3jwp h LYS 15 CO -0.42 0.37 -0.12 0.82 -2.81 0.00 0.00 179.45 177.29 3jwp h ILE 16 N 0.18 1.42 -0.65 2.00 2.04 -0.25 -3.30 117.51 118.95 3jwp h ILE 16 Ca 0.03 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 3jwp h ILE 16 Cb 0.42 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3jwp h ILE 16 CO 0.03 0.40 0.34 0.40 0.00 0.00 0.00 178.15 179.32 3jwp h ILE 17 N -0.31 1.21 -1.05 -0.67 2.04 -0.73 -2.63 117.51 115.36 3jwp h ILE 17 Ca 0.00 -0.56 0.28 0.00 1.00 0.00 0.00 64.86 65.58 3jwp h ILE 17 Cb 0.71 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 3jwp h ILE 17 CO 0.03 0.24 0.71 0.50 0.00 0.00 0.00 178.15 179.63 3jwp h LYS 18 N 0.89 0.23 0.00 2.37 1.63 -1.17 0.11 116.57 120.63 3jwp h LYS 18 Ca 0.23 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3jwp h LYS 18 Cb 0.07 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3jwp h LYS 18 CO -0.03 0.15 -0.29 0.87 -3.45 0.00 0.00 179.45 176.70 3jwp h LYS 19 N 0.23 0.00 -6.98 1.90 6.56 -1.56 -3.47 116.57 113.25 3jwp h LYS 19 Ca 0.56 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.66 3jwp h LYS 19 Cb 1.73 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 33.43 3jwp h LYS 19 CO -0.17 0.06 0.12 0.00 -2.06 0.00 0.00 179.45 177.40 3jwp n LYS 21 N -2.35 2.80 -2.93 0.00 4.01 -1.26 -4.94 118.16 113.50 3jwp n LYS 21 Ca 0.02 -0.12 -0.13 0.00 -0.51 0.00 0.00 58.31 57.56 3jwp n LYS 21 Cb 0.56 -0.53 -0.00 0.00 -0.51 0.00 0.00 35.03 34.55 3jwp n LYS 21 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 3jwp n HIS 22 N -0.44 -2.51 -3.13 2.13 -0.00 -1.26 -4.87 115.22 105.15 3jwp n HIS 22 Ca 0.00 -2.26 -0.39 0.00 -0.00 0.00 0.00 57.72 55.07 3jwp n HIS 22 Cb 0.03 0.96 -0.05 0.00 -0.00 0.00 0.00 29.99 30.93 3jwp n HIS 22 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3jwp s VAL 23 N 0.24 4.95 -0.06 3.57 1.01 -0.51 -1.80 120.40 127.81 3jwp s VAL 23 Ca 0.32 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.68 3jwp s VAL 23 Cb 0.14 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3jwp s VAL 23 CO -0.17 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.42 3jwp s VAL 24 N 0.23 2.78 -0.16 2.92 1.01 -0.29 -0.48 120.40 126.41 3jwp s VAL 24 Ca 0.34 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3jwp s VAL 24 Cb -0.18 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3jwp s VAL 24 CO 0.18 0.58 -0.02 0.00 0.00 0.00 0.00 175.10 175.83 3jwp s ALA 25 N -0.50 3.07 -0.25 5.51 0.00 -0.55 -1.25 121.76 127.79 3jwp s ALA 25 Ca 0.06 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3jwp s ALA 25 Cb -0.12 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 3jwp s ALA 25 CO 0.01 0.23 0.08 -1.17 0.00 0.00 0.00 175.76 174.92 3jwp s LEU 26 N 0.30 3.50 -0.01 0.00 0.20 0.19 -0.65 118.68 122.20 3jwp s LEU 26 Ca -0.02 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 54.64 3jwp s LEU 26 Cb -0.14 -1.94 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 3jwp s LEU 26 CO 0.03 -0.04 -0.15 0.42 -0.29 0.00 0.00 176.35 176.31 3jwp s THR 27 N 1.63 1.21 0.00 3.68 -4.23 -0.47 0.55 115.64 118.01 3jwp s THR 27 Ca 0.06 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3jwp s THR 27 Cb -0.15 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3jwp s THR 27 CO 0.04 0.34 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 3jwp n GLY 28 N 2.74 6.80 0.32 3.99 0.00 -1.15 -1.22 105.19 116.67 3jwp n GLY 28 Ca -0.15 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 44.22 3jwp n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jwp h SER 29 N 0.00 0.00 -0.55 1.61 4.64 -1.88 -1.63 113.55 115.73 3jwp h SER 29 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 3jwp h SER 29 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3jwp h SER 29 CO 0.00 0.00 0.38 1.23 -0.87 0.00 0.00 176.83 177.57 3jwp h GLY 30 N 0.00 0.30 2.00 -0.77 0.00 -0.85 -1.55 103.07 102.21 3jwp h GLY 30 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3jwp h GLY 30 CO -0.00 0.04 0.00 -0.91 0.00 0.00 0.00 176.54 175.67 3jwp h THR 31 N 0.20 0.00 0.00 4.70 1.35 -1.41 -3.29 112.91 114.46 3jwp h THR 31 Ca 0.26 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3jwp h THR 31 Cb 0.77 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3jwp h THR 31 CO -0.05 0.00 -0.71 -1.20 -0.25 0.00 0.00 175.52 173.31 3jwp n SER 32 N -2.48 0.71 -0.28 5.36 7.64 -0.64 -4.61 113.62 119.32 3jwp n SER 32 Ca 0.04 -0.80 0.07 0.00 1.01 0.00 0.00 58.87 59.19 3jwp n SER 32 Cb 0.39 1.03 0.29 0.00 -1.01 0.00 0.00 64.21 64.91 3jwp n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jwp h ALA 33 N 1.99 1.63 -0.03 -0.43 0.00 -1.46 0.15 119.26 121.11 3jwp h ALA 33 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jwp h ALA 33 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jwp h ALA 33 CO 0.00 0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3jwp n GLU 34 N -4.52 1.09 -0.36 0.00 1.02 -1.26 -1.74 120.64 114.86 3jwp n GLU 34 Ca 0.15 -0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3jwp n GLU 34 Cb 0.29 -1.19 0.23 0.00 -0.02 0.00 0.00 31.44 30.75 3jwp n GLU 34 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3jwp n SER 35 N -0.55 3.61 -1.24 1.62 7.64 0.51 -4.77 113.62 120.43 3jwp n SER 35 Ca 0.09 -2.56 -0.16 0.00 1.01 0.00 0.00 58.87 57.25 3jwp n SER 35 Cb 0.07 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.78 3jwp n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3jwp n ASN 36 N 0.06 -5.17 -4.65 6.43 3.02 -0.71 -4.08 115.26 110.16 3jwp n ASN 36 Ca 0.18 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.71 3jwp n ASN 36 Cb 0.71 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 3jwp n ASN 36 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jwp s ILE 37 N -2.53 4.77 0.66 2.41 -1.09 -1.17 -4.91 121.20 119.34 3jwp s ILE 37 Ca 0.00 1.78 -0.16 0.00 -2.23 0.00 0.00 60.65 60.05 3jwp s ILE 37 Cb 0.00 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 3jwp s ILE 37 CO 0.00 -0.12 1.14 -2.16 -1.23 0.00 0.00 174.94 172.58 3jwp s PRO 38 N 2.97 2.67 1.07 2.79 0.04 -1.26 -4.22 135.00 139.05 3jwp s PRO 38 Ca 0.39 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 3jwp s PRO 38 Cb -0.15 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.71 3jwp s PRO 38 CO 0.07 -1.38 1.26 -1.54 0.04 0.00 0.00 177.00 175.45 3jwp s SER 39 N -2.29 2.18 -0.08 6.66 1.04 -1.14 -4.72 113.70 115.34 3jwp s SER 39 Ca 0.70 0.33 0.13 0.00 0.48 0.00 0.00 55.95 57.59 3jwp s SER 39 Cb -0.24 -0.39 0.26 0.00 0.10 0.00 0.00 66.02 65.75 3jwp s SER 39 CO 0.41 -3.32 1.12 0.49 0.98 0.00 0.00 173.24 172.92 3jwp n PHE 40 N -4.17 0.00 0.00 5.02 3.72 -1.26 -1.09 117.46 119.67 3jwp n PHE 40 Ca 0.15 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 3jwp n PHE 40 Cb 0.59 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3jwp n PHE 40 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3jwp n ARG 41 N -0.53 2.34 -2.06 -1.08 1.74 -1.26 -4.99 116.66 110.82 3jwp n ARG 41 Ca 0.10 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 3jwp n ARG 41 Cb 0.78 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.24 3jwp n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwp n GLY 42 N 4.71 6.20 0.96 -0.13 0.00 -1.26 -4.68 105.19 110.98 3jwp n GLY 42 Ca 0.00 -2.65 0.04 0.00 0.00 0.00 0.00 46.02 43.41 3jwp n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3jwp n SER 43 N -0.66 2.66 0.00 1.61 2.88 -1.26 -4.91 113.62 113.94 3jwp n SER 43 Ca 0.45 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.70 3jwp n SER 43 Cb 0.82 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 3jwp n SER 43 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3jwp n SER 44 N 0.31 0.00 -1.27 -3.46 2.88 -1.26 -4.57 113.62 106.25 3jwp n SER 44 Ca 0.12 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 3jwp n SER 44 Cb 0.55 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.15 3jwp n SER 44 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3jwp n ASN 45 N 1.99 3.18 -4.83 -3.46 6.94 -1.26 -4.99 115.26 112.82 3jwp n ASN 45 Ca 0.00 -2.52 -0.33 0.00 -0.02 0.00 0.00 54.58 51.71 3jwp n ASN 45 Cb 0.00 -0.61 -0.07 0.00 -2.36 0.00 0.00 39.78 36.75 3jwp n ASN 45 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3jwp s SER 46 N -0.21 6.86 0.51 0.53 0.15 -1.26 -2.89 113.70 117.39 3jwp s SER 46 Ca 0.24 1.52 0.33 0.00 0.70 0.00 0.00 55.95 58.74 3jwp s SER 46 Cb 0.19 -2.47 1.48 0.00 -1.71 0.00 0.00 66.02 63.51 3jwp s SER 46 CO 0.06 -0.30 1.99 -0.29 1.20 0.00 0.00 173.24 175.90 3jwp h ILE 47 N 1.91 0.00 -0.02 6.45 2.10 -1.40 -3.11 117.51 123.44 3jwp h ILE 47 Ca -0.48 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.10 3jwp h ILE 47 Cb 1.18 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 3jwp h ILE 47 CO 0.63 0.00 0.00 0.79 -1.08 0.00 0.00 178.15 178.49 3jwp n TRP 48 N -2.91 0.02 -0.11 2.19 5.03 -1.26 -2.17 117.44 118.23 3jwp n TRP 48 Ca 0.00 -0.01 -0.09 0.00 3.03 0.00 0.00 57.50 60.43 3jwp n TRP 48 Cb 0.24 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.51 3jwp n TRP 48 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 177.69 178.43 3jwp h SER 49 N 0.40 0.45 0.41 -0.99 0.02 -1.92 -3.36 113.55 108.56 3jwp h SER 49 Ca 0.00 -0.08 -0.31 0.00 -0.84 0.00 0.00 61.79 60.56 3jwp h SER 49 Cb 0.09 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3jwp h SER 49 CO 0.00 0.40 -1.60 0.11 -1.14 0.00 0.00 176.83 174.59 3jwp h LYS 50 N 0.46 0.23 -6.16 3.45 1.57 -1.69 -3.47 116.57 110.96 3jwp h LYS 50 Ca 0.13 -0.40 -0.57 0.00 -1.87 0.00 0.00 60.65 57.95 3jwp h LYS 50 Cb 0.04 0.15 -0.23 0.00 0.08 0.00 0.00 32.23 32.28 3jwp h LYS 50 CO -0.02 1.07 -0.83 0.71 -0.57 0.00 0.00 179.45 179.81 3jwp s TYR 51 N -2.61 1.80 -0.26 -1.35 2.02 -1.13 -5.11 117.35 110.72 3jwp s TYR 51 Ca -0.10 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 3jwp s TYR 51 Cb 0.07 -1.01 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 3jwp s TYR 51 CO 0.84 0.18 1.05 0.34 -1.57 0.00 0.00 175.55 176.40 3jwp s ASP 52 N -1.74 7.04 0.45 2.29 3.68 -1.26 -4.49 116.67 122.64 3jwp s ASP 52 Ca 0.07 1.28 0.21 0.00 2.13 0.00 0.00 52.55 56.24 3jwp s ASP 52 Cb -0.10 -2.54 1.07 0.00 -1.45 0.00 0.00 42.92 39.90 3jwp s ASP 52 CO 0.04 -0.74 1.93 -0.65 0.13 0.00 0.00 175.17 175.88 3jwp h PRO 53 N 7.66 0.00 -0.46 4.34 0.11 -1.96 -0.26 132.00 141.44 3jwp h PRO 53 Ca -0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 3jwp h PRO 53 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3jwp h PRO 53 CO 1.00 0.24 0.18 -0.09 -0.21 0.00 0.00 178.00 179.11 3jwp h ARG 54 N 0.00 0.65 0.00 1.05 9.65 -1.95 -1.97 114.38 121.81 3jwp h ARG 54 Ca -0.00 -0.09 -0.33 0.00 -1.10 0.00 0.00 59.98 58.46 3jwp h ARG 54 Cb 0.54 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.94 3jwp h ARG 54 CO 0.03 0.54 -2.24 -0.89 2.80 0.00 0.00 179.97 180.22 3jwp n ILE 55 N -4.36 1.24 0.34 1.20 -0.00 -1.09 -4.53 119.36 112.17 3jwp n ILE 55 Ca 0.03 -0.59 0.11 0.00 -0.00 0.00 0.00 62.75 62.31 3jwp n ILE 55 Cb 0.15 -0.98 0.02 0.00 -0.00 0.00 0.00 39.64 38.83 3jwp n ILE 55 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3jwp n TYR 56 N -2.94 0.53 -0.18 1.39 4.01 -0.13 -4.49 117.16 115.35 3jwp n TYR 56 Ca -0.35 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3jwp n TYR 56 Cb 0.98 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3jwp n TYR 56 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jwp n GLY 57 N 1.28 1.11 3.55 2.72 0.00 -0.74 -4.20 105.19 108.92 3jwp n GLY 57 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3jwp n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jwp s THR 58 N -0.60 3.15 0.20 2.61 -4.23 -1.24 -0.91 115.64 114.62 3jwp s THR 58 Ca 0.00 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 3jwp s THR 58 Cb 0.00 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.45 3jwp s THR 58 CO 0.00 -0.03 1.74 0.40 -0.54 0.00 0.00 174.62 176.19 3jwp h ILE 59 N 2.99 1.26 -0.05 2.99 5.03 -1.74 0.17 117.51 128.18 3jwp h ILE 59 Ca -0.48 -0.93 -0.10 0.00 -0.12 0.00 0.00 64.86 63.23 3jwp h ILE 59 Cb 1.19 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 35.42 3jwp h ILE 59 CO 0.52 0.37 -0.44 4.11 -0.68 0.00 0.00 178.15 182.03 3jwp h TRP 60 N 1.12 0.13 -0.10 1.37 0.09 -1.95 0.17 115.95 116.78 3jwp h TRP 60 Ca 0.24 -0.04 -0.08 0.00 0.09 0.00 0.00 58.89 59.10 3jwp h TRP 60 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 29.16 29.52 3jwp h TRP 60 CO 0.03 0.54 -0.30 0.78 0.09 0.00 0.00 178.44 179.57 3jwp h GLY 61 N 1.31 0.21 0.97 11.11 0.00 -1.65 -2.95 103.07 112.06 3jwp h GLY 61 Ca 0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 47.33 46.97 3jwp h GLY 61 CO 0.06 0.15 -0.78 -2.75 0.00 0.00 0.00 176.54 173.23 3jwp h PHE 62 N 0.17 0.81 -0.86 5.60 3.57 0.01 -1.89 116.94 124.35 3jwp h PHE 62 Ca 0.02 -0.43 0.06 0.00 3.53 0.00 0.00 57.97 61.16 3jwp h PHE 62 Cb 0.63 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3jwp h PHE 62 CO 0.01 1.25 0.56 -1.49 -2.23 0.00 0.00 178.31 176.41 3jwp h TRP 63 N 0.13 0.97 0.09 0.41 -0.00 -0.64 -0.79 115.95 116.13 3jwp h TRP 63 Ca -0.09 0.02 -0.33 0.00 -0.00 0.00 0.00 58.89 58.49 3jwp h TRP 63 Cb 1.46 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 30.28 3jwp h TRP 63 CO 0.13 0.51 -1.82 0.87 -0.00 0.00 0.00 178.44 178.12 3jwp h LYS 64 N 0.96 0.20 -2.05 0.49 1.57 -1.60 -3.42 116.57 112.72 3jwp h LYS 64 Ca 0.37 -0.34 -0.55 0.00 -1.87 0.00 0.00 60.65 58.25 3jwp h LYS 64 Cb 0.21 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 32.25 3jwp h LYS 64 CO -0.13 1.01 -1.01 0.66 -0.57 0.00 0.00 179.45 179.41 3jwp n TYR 65 N -3.37 0.72 0.27 -1.35 4.02 -0.71 -4.98 117.16 111.76 3jwp n TYR 65 Ca -0.25 -3.74 0.18 0.00 -0.01 0.00 0.00 57.90 54.07 3jwp n TYR 65 Cb 1.05 -0.41 0.94 0.00 -0.02 0.00 0.00 39.34 40.90 3jwp n TYR 65 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3jwp h PRO 66 N 3.76 0.00 0.00 -0.72 0.11 -1.34 -2.28 132.00 131.54 3jwp h PRO 66 Ca 0.10 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 3jwp h PRO 66 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3jwp h PRO 66 CO 0.56 0.00 -0.41 0.93 -0.21 0.00 0.00 178.00 178.87 3jwp h GLU 67 N 0.00 0.00 -0.33 1.05 3.07 -1.86 -3.37 114.58 113.14 3jwp h GLU 67 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3jwp h GLU 67 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3jwp h GLU 67 CO 0.00 0.41 -0.01 0.87 -1.40 0.00 0.00 179.01 178.88 3jwp h LYS 68 N 0.00 0.59 0.00 2.33 6.56 -1.77 -1.26 116.57 123.02 3jwp h LYS 68 Ca -0.00 -0.19 -0.02 0.00 -1.06 0.00 0.00 60.65 59.37 3jwp h LYS 68 Cb 0.81 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.42 3jwp h LYS 68 CO 0.05 0.72 -0.11 0.97 -2.06 0.00 0.00 179.45 179.03 3jwp h ILE 69 N 0.40 0.44 0.02 1.86 2.10 -1.73 -1.50 117.51 119.10 3jwp h ILE 69 Ca 0.09 -0.56 -0.21 0.00 1.08 0.00 0.00 64.86 65.27 3jwp h ILE 69 Cb 0.46 1.39 -0.02 0.00 -1.09 0.00 0.00 36.82 37.56 3jwp h ILE 69 CO 0.02 0.11 -0.97 -0.50 -1.08 0.00 0.00 178.15 175.73 3jwp h TRP 70 N 0.00 0.18 -0.48 2.19 4.06 -1.48 -2.01 115.95 118.41 3jwp h TRP 70 Ca -0.00 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 3jwp h TRP 70 Cb 0.38 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.50 3jwp h TRP 70 CO 0.00 1.01 0.28 0.93 -3.56 0.00 0.00 178.44 177.10 3jwp h GLU 71 N 0.05 0.65 0.50 0.49 5.08 -0.34 0.88 114.58 121.90 3jwp h GLU 71 Ca -0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3jwp h GLU 71 Cb 1.66 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 3jwp h GLU 71 CO 0.14 0.49 -0.41 0.28 -1.00 0.00 0.00 179.01 178.51 3jwp h VAL 72 N 0.64 0.18 -0.67 3.13 2.07 -1.24 0.26 116.25 120.61 3jwp h VAL 72 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3jwp h VAL 72 Cb 0.01 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 3jwp h VAL 72 CO -0.03 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.40 3jwp h ILE 73 N -0.90 1.16 -0.47 4.57 2.04 -1.32 -1.82 117.51 120.78 3jwp h ILE 73 Ca -0.05 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3jwp h ILE 73 Cb 0.77 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3jwp h ILE 73 CO -0.01 0.16 0.27 -0.09 0.00 0.00 0.00 178.15 178.49 3jwp h ARG 74 N 0.90 0.65 -0.15 2.37 1.12 -0.69 -1.82 114.38 116.76 3jwp h ARG 74 Ca 0.25 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 59.03 3jwp h ARG 74 Cb -0.10 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.73 3jwp h ARG 74 CO -0.06 0.50 0.01 -0.44 -3.11 0.00 0.00 179.97 176.87 3jwp h ASP 75 N 0.63 0.25 0.17 -3.80 3.32 -0.57 -2.25 116.42 114.17 3jwp h ASP 75 Ca 0.17 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3jwp h ASP 75 Cb 0.02 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3jwp h ASP 75 CO -0.03 0.47 -0.08 0.40 -1.72 0.00 0.00 179.24 178.28 3jwp h ILE 76 N 0.02 0.83 -0.96 0.35 2.04 -1.30 0.14 117.51 118.65 3jwp h ILE 76 Ca 0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 3jwp h ILE 76 Cb 0.33 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 3jwp h ILE 76 CO 0.00 0.00 0.58 0.28 0.00 0.00 0.00 178.15 179.01 3jwp h SER 77 N -0.23 0.80 0.46 1.72 0.02 -1.35 -2.92 113.55 112.05 3jwp h SER 77 Ca -0.02 0.07 -0.30 0.00 -0.84 0.00 0.00 61.79 60.69 3jwp h SER 77 Cb 0.18 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3jwp h SER 77 CO 0.04 0.39 -1.58 0.28 -1.14 0.00 0.00 176.83 174.81 3jwp h SER 78 N 0.86 0.30 -0.02 3.07 0.02 -1.01 -3.40 113.55 113.37 3jwp h SER 78 Ca 0.50 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3jwp h SER 78 Cb 0.59 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3jwp h SER 78 CO -0.31 1.39 -0.19 0.47 -1.14 0.00 0.00 176.83 177.05 3jwp n ASP 79 N -3.38 2.34 -4.18 3.07 8.00 0.47 -4.93 116.55 117.94 3jwp n ASP 79 Ca -0.17 -1.67 -0.25 0.00 0.71 0.00 0.00 54.79 53.41 3jwp n ASP 79 Cb 1.04 0.22 -0.15 0.00 -0.02 0.00 0.00 41.12 42.21 3jwp n ASP 79 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3jwp s TYR 80 N -1.97 1.62 -1.15 1.24 1.51 -1.11 -5.05 117.35 112.44 3jwp s TYR 80 Ca 0.21 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 3jwp s TYR 80 Cb 0.17 -1.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.01 3jwp s TYR 80 CO 0.37 -0.02 1.68 -1.83 -1.11 0.00 0.00 175.55 174.65 3jwp s GLU 81 N -0.50 3.53 -0.42 -0.62 1.03 -1.26 -4.87 118.70 115.59 3jwp s GLU 81 Ca 0.07 -1.44 -0.23 0.00 0.03 0.00 0.00 54.97 53.40 3jwp s GLU 81 Cb -0.07 -5.40 0.02 0.00 -0.80 0.00 0.00 34.13 27.88 3jwp s GLU 81 CO -0.00 -2.56 0.75 0.42 -1.33 0.00 0.00 175.26 172.54 3jwp s ILE 82 N 5.88 4.71 0.06 1.83 1.01 -1.26 -4.61 121.20 128.82 3jwp s ILE 82 Ca 0.55 0.52 -0.04 0.00 0.00 0.00 0.00 60.65 61.67 3jwp s ILE 82 Cb 0.01 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 3jwp s ILE 82 CO 0.02 -0.60 0.06 -1.61 0.00 0.00 0.00 174.94 172.81 3jwp s GLU 83 N 3.14 0.68 0.40 2.79 0.41 -1.26 -5.11 118.70 119.76 3jwp s GLU 83 Ca 0.29 -1.06 -0.25 0.00 -0.41 0.00 0.00 54.97 53.54 3jwp s GLU 83 Cb -0.13 0.26 -0.11 0.00 -1.78 0.00 0.00 34.13 32.37 3jwp s GLU 83 CO 0.20 -0.17 1.14 -0.89 -0.49 0.00 0.00 175.26 175.05 3jwp n ILE 84 N 0.16 2.43 -4.04 -1.63 5.41 -1.26 -4.50 119.36 115.93 3jwp n ILE 84 Ca -0.15 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.84 3jwp n ILE 84 Cb 0.61 -1.35 -0.04 0.00 -0.71 0.00 0.00 39.64 38.16 3jwp n ILE 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3jwp s ASN 85 N -0.61 4.55 0.42 4.38 2.20 -1.26 -5.00 114.94 119.62 3jwp s ASN 85 Ca 0.61 -1.21 0.09 0.00 -0.94 0.00 0.00 52.86 51.42 3jwp s ASN 85 Cb -0.55 0.09 0.91 0.00 -2.00 0.00 0.00 41.25 39.70 3jwp s ASN 85 CO 0.58 -0.87 2.05 0.78 -2.94 0.00 0.00 177.10 176.69 3jwp h ASN 86 N 1.04 0.36 -0.70 3.54 2.35 -1.94 -1.63 115.58 118.60 3jwp h ASN 86 Ca -0.40 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.36 3jwp h ASN 86 Cb 1.29 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 3jwp h ASN 86 CO 0.63 0.30 0.44 1.23 -1.65 0.00 0.00 177.43 178.38 3jwp h GLY 87 N 0.49 1.01 1.21 2.83 0.00 -1.75 0.63 103.07 107.49 3jwp h GLY 87 Ca 0.11 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3jwp h GLY 87 CO -0.02 0.28 0.02 0.45 0.00 0.00 0.00 176.54 177.28 3jwp h HIS 88 N 0.86 1.02 -0.38 5.60 3.86 -1.65 -0.28 115.15 124.19 3jwp h HIS 88 Ca 0.28 -0.15 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 3jwp h HIS 88 Cb 0.01 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 3jwp h HIS 88 CO -0.04 0.91 -0.10 0.28 0.86 0.00 0.00 177.93 179.83 3jwp h VAL 89 N 0.89 1.28 -0.06 2.45 2.07 -1.04 -1.69 116.25 120.14 3jwp h VAL 89 Ca 0.17 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.54 3jwp h VAL 89 Cb 0.48 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3jwp h VAL 89 CO 0.02 0.39 -0.31 0.00 0.02 0.00 0.00 177.57 177.69 3jwp h ALA 90 N 0.83 -0.40 -0.24 1.67 0.00 0.55 -0.84 119.26 120.83 3jwp h ALA 90 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3jwp h ALA 90 Cb 0.62 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3jwp h ALA 90 CO 0.04 -0.80 0.09 -0.07 0.00 0.00 0.00 179.25 178.51 3jwp h LEU 91 N -0.42 0.11 -0.81 0.00 3.38 -1.03 -0.70 115.31 115.84 3jwp h LEU 91 Ca 0.08 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.18 3jwp h LEU 91 Cb 0.54 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 3jwp h LEU 91 CO -0.30 0.10 0.43 -1.28 0.09 0.00 0.00 178.44 177.48 3jwp h SER 92 N 0.21 0.57 0.50 -0.43 0.87 -1.01 -0.53 113.55 113.73 3jwp h SER 92 Ca 0.10 0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 3jwp h SER 92 Cb 0.06 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3jwp h SER 92 CO -0.10 0.30 -0.64 0.71 -0.53 0.00 0.00 176.83 176.57 3jwp h THR 93 N 0.69 1.43 -0.33 2.23 1.35 -0.72 -1.03 112.91 116.53 3jwp h THR 93 Ca 0.41 -2.13 -0.04 0.00 -0.55 0.00 0.00 66.41 64.10 3jwp h THR 93 Cb 0.47 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 3jwp h THR 93 CO -0.29 0.62 0.02 -0.07 -0.25 0.00 0.00 175.52 175.55 3jwp h LEU 94 N 0.10 0.46 -0.50 3.87 3.38 0.13 0.35 115.31 123.09 3jwp h LEU 94 Ca -0.01 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 3jwp h LEU 94 Cb 1.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3jwp h LEU 94 CO 0.09 0.51 -0.58 -0.08 0.09 0.00 0.00 178.44 178.47 3jwp h GLU 95 N 0.48 0.52 -0.41 1.13 4.81 -0.83 -2.41 114.58 117.88 3jwp h GLU 95 Ca 0.11 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 3jwp h GLU 95 Cb 0.28 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3jwp h GLU 95 CO 0.01 0.96 -0.11 0.77 -0.73 0.00 0.00 179.01 179.91 3jwp h SER 96 N 0.39 0.70 0.56 1.04 0.02 -0.27 -2.53 113.55 113.46 3jwp h SER 96 Ca 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3jwp h SER 96 Cb 1.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3jwp h SER 96 CO 0.11 0.84 0.00 0.18 -1.14 0.00 0.00 176.83 176.81 3jwp n LEU 97 N -4.17 0.00 0.00 5.07 4.77 0.12 -4.90 117.00 117.88 3jwp n LEU 97 Ca 0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3jwp n LEU 97 Cb 0.35 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3jwp n LEU 97 CO 0.42 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3jwp n GLY 98 N 0.53 0.77 0.14 -0.72 0.00 -0.95 -4.98 105.19 99.97 3jwp n GLY 98 Ca 0.07 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3jwp n GLY 98 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3jwp n TYR 99 N -2.41 0.08 -2.89 1.61 -0.00 -0.93 -4.87 117.16 107.76 3jwp n TYR 99 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 57.90 57.52 3jwp n TYR 99 Cb 0.00 -1.00 -0.04 0.00 -0.00 0.00 0.00 39.34 38.29 3jwp n TYR 99 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 3jwp s LEU 100 N -7.54 4.07 -0.23 -3.48 2.96 -1.08 -1.42 118.68 111.96 3jwp s LEU 100 Ca -0.38 0.87 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 3jwp s LEU 100 Cb 0.14 -3.18 -0.19 0.00 0.50 0.00 0.00 46.19 43.47 3jwp s LEU 100 CO 0.50 -0.60 -0.12 0.29 -1.32 0.00 0.00 176.35 175.09 3jwp n LYS 101 N 6.20 0.69 -3.95 1.98 4.76 0.37 -4.31 118.16 123.89 3jwp n LYS 101 Ca 0.05 0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.50 3jwp n LYS 101 Cb 0.48 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 3jwp n LYS 101 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3jwp s SER 102 N -6.06 0.27 -0.16 4.39 0.15 -1.22 -4.55 113.70 106.52 3jwp s SER 102 Ca -0.25 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.62 3jwp s SER 102 Cb 0.08 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 3jwp s SER 102 CO 0.65 -0.65 -0.04 -0.69 1.20 0.00 0.00 173.24 173.70 3jwp s VAL 103 N -3.73 1.04 -0.29 4.45 1.01 -0.54 -1.48 120.40 120.85 3jwp s VAL 103 Ca 0.05 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 3jwp s VAL 103 Cb 0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3jwp s VAL 103 CO -0.10 0.12 0.46 -0.69 0.00 0.00 0.00 175.10 174.89 3jwp s VAL 104 N 1.66 5.09 0.19 2.92 1.01 0.17 -0.87 120.40 130.58 3jwp s VAL 104 Ca 0.01 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.68 3jwp s VAL 104 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3jwp s VAL 104 CO -0.08 0.01 -0.23 0.28 0.00 0.00 0.00 175.10 175.09 3jwp s THR 105 N 2.25 2.43 -1.56 3.92 -1.32 0.66 -1.37 115.64 120.65 3jwp s THR 105 Ca 0.18 -1.98 0.19 0.00 -1.21 0.00 0.00 61.69 58.86 3jwp s THR 105 Cb -0.16 -2.17 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 3jwp s THR 105 CO 0.11 -0.11 0.92 0.00 -2.21 0.00 0.00 174.62 173.33 3jwp n GLN 106 N 0.27 1.44 -2.69 7.08 6.02 -0.36 -0.61 117.38 128.53 3jwp n GLN 106 Ca -0.13 -0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 55.77 3jwp n GLN 106 Cb 0.56 -1.35 -0.06 0.00 1.02 0.00 0.00 30.24 30.41 3jwp n GLN 106 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3jwp s ASN 107 N -2.23 7.02 -0.04 1.08 0.01 -1.26 -4.38 114.94 115.14 3jwp s ASN 107 Ca 0.14 1.89 0.15 0.00 -0.71 0.00 0.00 52.86 54.33 3jwp s ASN 107 Cb 0.15 -2.57 0.45 0.00 0.41 0.00 0.00 41.25 39.68 3jwp s ASN 107 CO 0.52 -0.30 1.38 1.33 -1.51 0.00 0.00 177.10 178.51 3jwp n VAL 108 N 0.07 1.26 1.08 1.60 0.24 -1.26 -4.59 118.33 116.72 3jwp n VAL 108 Ca 0.04 -1.13 0.12 0.00 -2.04 0.00 0.00 64.34 61.32 3jwp n VAL 108 Cb 0.51 0.36 0.13 0.00 -1.47 0.00 0.00 33.84 33.37 3jwp n VAL 108 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3jwp n ASP 109 N 0.68 1.30 -2.07 -1.34 3.85 -1.26 -1.50 116.55 116.22 3jwp n ASP 109 Ca 0.17 -1.04 -0.20 0.00 -0.71 0.00 0.00 54.79 53.01 3jwp n ASP 109 Cb 0.58 0.43 -0.04 0.00 -1.35 0.00 0.00 41.12 40.74 3jwp n ASP 109 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jwp n GLY 110 N 1.42 0.47 0.20 6.12 0.00 -1.26 -4.90 105.19 107.24 3jwp n GLY 110 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3jwp n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3jwp h LEU 111 N 0.00 0.92 -0.34 0.99 3.38 -1.94 -2.66 115.31 115.66 3jwp h LEU 111 Ca -0.44 -0.72 0.07 0.00 0.09 0.00 0.00 57.88 56.88 3jwp h LEU 111 Cb 1.32 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 3jwp h LEU 111 CO 0.57 1.52 -0.19 0.45 0.09 0.00 0.00 178.44 180.88 3jwp h HIS 112 N 0.41 -0.48 -0.53 1.13 3.86 -1.97 0.42 115.15 118.01 3jwp h HIS 112 Ca -0.12 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.19 3jwp h HIS 112 Cb 1.67 0.26 -0.05 0.00 1.06 0.00 0.00 27.41 30.35 3jwp h HIS 112 CO 0.10 -0.27 0.24 0.93 0.86 0.00 0.00 177.93 179.79 3jwp h GLU 113 N -0.14 0.44 0.00 2.45 3.07 -1.79 -0.09 114.58 118.52 3jwp h GLU 113 Ca 0.17 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3jwp h GLU 113 Cb 0.40 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3jwp h GLU 113 CO -0.42 0.29 -0.06 0.00 -1.40 0.00 0.00 179.01 177.42 3jwp h ALA 114 N 1.31 1.86 0.00 3.43 0.00 -0.83 -0.64 119.26 124.39 3jwp h ALA 114 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3jwp h ALA 114 Cb 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3jwp h ALA 114 CO -0.20 0.07 -0.08 1.03 0.00 0.00 0.00 179.25 180.07 3jwp h SER 115 N 0.00 0.00 0.00 0.00 0.87 0.17 -3.47 113.55 111.13 3jwp h SER 115 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3jwp h SER 115 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3jwp h SER 115 CO 0.01 0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 3jwp n GLY 116 N -0.41 1.17 3.80 5.77 0.00 -0.25 -4.73 105.19 110.55 3jwp n GLY 116 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3jwp n GLY 116 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwp s ASN 117 N -2.00 6.60 -0.21 1.61 0.02 -1.11 -4.94 114.94 114.91 3jwp s ASN 117 Ca 0.00 1.91 0.01 0.00 -1.02 0.00 0.00 52.86 53.75 3jwp s ASN 117 Cb 0.00 -2.56 -0.20 0.00 0.02 0.00 0.00 41.25 38.51 3jwp s ASN 117 CO 0.00 -0.60 -0.04 0.41 0.02 0.00 0.00 177.10 176.89 3jwp n THR 118 N -0.62 1.57 -3.95 1.60 -1.04 -1.26 -4.52 114.28 106.05 3jwp n THR 118 Ca 0.07 -0.61 -0.30 0.00 -2.04 0.00 0.00 64.05 61.17 3jwp n THR 118 Cb 0.52 -1.44 -0.14 0.00 -1.82 0.00 0.00 70.33 67.44 3jwp n THR 118 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3jwp s LYS 119 N -2.53 1.67 -0.22 -2.82 3.01 -1.26 -5.06 119.74 112.52 3jwp s LYS 119 Ca -0.30 -2.21 -0.01 0.00 -1.01 0.00 0.00 55.97 52.44 3jwp s LYS 119 Cb 0.08 -3.15 0.02 0.00 -1.01 0.00 0.00 37.83 33.77 3jwp s LYS 119 CO 0.66 -1.04 -0.10 0.08 0.51 0.00 0.00 175.35 175.46 3jwp s VAL 120 N 0.32 2.68 -0.28 3.17 1.01 -1.26 -1.47 120.40 124.58 3jwp s VAL 120 Ca 0.14 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3jwp s VAL 120 Cb -0.23 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3jwp s VAL 120 CO -0.04 0.35 0.19 -0.63 0.00 0.00 0.00 175.10 174.97 3jwp s ILE 121 N 1.34 5.31 -0.73 2.22 1.01 -0.05 -5.00 121.20 125.30 3jwp s ILE 121 Ca 0.03 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 3jwp s ILE 121 Cb -0.15 -3.53 0.19 0.00 0.01 0.00 0.00 42.46 38.98 3jwp s ILE 121 CO -0.07 0.25 0.66 -0.44 0.00 0.00 0.00 174.94 175.34 3jwp s SER 122 N 1.72 6.43 0.25 3.58 0.01 -1.26 -0.24 113.70 124.19 3jwp s SER 122 Ca 0.07 -2.49 -0.04 0.00 1.31 0.00 0.00 55.95 54.80 3jwp s SER 122 Cb -0.16 -2.16 0.40 0.00 0.21 0.00 0.00 66.02 64.31 3jwp s SER 122 CO 0.11 -0.61 1.82 -0.07 0.41 0.00 0.00 173.24 174.89 3jwp h LEU 123 N 7.96 0.74 -3.62 2.44 3.38 -1.20 -2.59 115.31 122.41 3jwp h LEU 123 Ca -0.00 0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 3jwp h LEU 123 Cb 1.04 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 3jwp h LEU 123 CO 0.81 0.43 0.22 1.41 0.09 0.00 0.00 178.44 181.40 3jwp n HIS 124 N -4.70 2.01 -4.35 1.13 8.25 -1.26 -4.86 115.22 111.44 3jwp n HIS 124 Ca 0.14 -1.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 3jwp n HIS 124 Cb 0.27 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.74 3jwp n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jwp n GLY 125 N -0.65 -0.21 3.64 -1.41 0.00 -0.98 -1.89 105.19 103.69 3jwp n GLY 125 Ca 0.40 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3jwp n GLY 125 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jwp s ASN 126 N -4.00 -0.72 0.00 1.61 3.84 0.00 -4.46 114.94 111.20 3jwp s ASN 126 Ca 0.00 1.29 0.29 0.00 0.21 0.00 0.00 52.86 54.64 3jwp s ASN 126 Cb 0.00 1.30 1.51 0.00 -0.55 0.00 0.00 41.25 43.52 3jwp s ASN 126 CO 0.00 -0.21 2.01 0.55 -2.79 0.00 0.00 177.10 176.66 3jwp n VAL 127 N 3.20 0.06 -0.61 -5.21 3.14 -0.56 -3.37 118.33 114.98 3jwp n VAL 127 Ca -0.16 0.01 0.09 0.00 -2.96 0.00 0.00 64.34 61.33 3jwp n VAL 127 Cb 0.57 -0.55 0.34 0.00 -1.06 0.00 0.00 33.84 33.14 3jwp n VAL 127 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3jwp n PHE 128 N -1.22 1.39 -4.56 1.45 3.72 -1.26 -4.85 117.46 112.13 3jwp n PHE 128 Ca 0.16 -0.61 -0.22 0.00 -0.05 0.00 0.00 57.45 56.73 3jwp n PHE 128 Cb 0.20 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.37 3jwp n PHE 128 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3jwp s GLU 129 N -1.80 1.09 0.17 -1.08 2.02 -1.22 0.68 118.70 118.57 3jwp s GLU 129 Ca 0.49 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.95 3jwp s GLU 129 Cb 0.32 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 3jwp s GLU 129 CO 0.24 0.29 -0.13 0.00 0.02 0.00 0.00 175.26 175.68 3jwp s ALA 130 N -0.50 1.75 -0.03 5.21 0.00 -0.42 -0.71 121.76 127.07 3jwp s ALA 130 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.45 3jwp s ALA 130 Cb -0.06 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.05 3jwp s ALA 130 CO 0.00 0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.87 3jwp s VAL 131 N -3.00 0.08 0.17 0.00 1.01 -0.33 -1.19 120.40 117.14 3jwp s VAL 131 Ca 0.19 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 3jwp s VAL 131 Cb -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 36.38 36.09 3jwp s VAL 131 CO 0.04 0.13 1.48 0.00 0.00 0.00 0.00 175.10 176.75 3jwp n THR 134 N -0.85 0.00 0.58 0.00 -2.24 -1.26 -4.85 114.28 105.66 3jwp n THR 134 Ca 0.16 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.01 3jwp n THR 134 Cb 0.07 -0.55 -0.00 0.00 -2.10 0.00 0.00 70.33 67.75 3jwp n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jwp n ASN 136 N -0.21 -4.98 -4.71 0.00 3.02 -0.54 -4.97 115.26 102.88 3jwp n ASN 136 Ca 0.05 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.46 3jwp n ASN 136 Cb 0.27 -3.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 3jwp n ASN 136 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3jwp n LYS 137 N -1.92 2.53 -3.69 3.52 4.81 -1.26 -4.61 118.16 117.54 3jwp n LYS 137 Ca -0.12 0.91 -0.35 0.00 -0.87 0.00 0.00 58.31 57.88 3jwp n LYS 137 Cb 0.48 -2.71 -0.08 0.00 0.02 0.00 0.00 35.03 32.74 3jwp n LYS 137 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3jwp s ILE 138 N 0.79 5.39 -0.13 3.15 1.01 -1.26 -0.85 121.20 129.29 3jwp s ILE 138 Ca 0.74 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.67 3jwp s ILE 138 Cb -0.56 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3jwp s ILE 138 CO 0.38 0.42 -0.22 -0.69 0.00 0.00 0.00 174.94 174.83 3jwp s VAL 139 N 0.44 2.02 -0.10 2.92 1.01 -0.33 -5.00 120.40 121.37 3jwp s VAL 139 Ca 0.10 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 3jwp s VAL 139 Cb -0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3jwp s VAL 139 CO -0.00 0.54 0.74 -1.59 0.00 0.00 0.00 175.10 174.79 3jwp s LYS 140 N 0.76 4.39 0.52 2.72 0.00 -1.26 -1.30 119.74 125.58 3jwp s LYS 140 Ca -0.09 0.92 0.07 0.00 0.00 0.00 0.00 55.97 56.87 3jwp s LYS 140 Cb -0.16 -3.49 0.04 0.00 0.00 0.00 0.00 37.83 34.22 3jwp s LYS 140 CO -0.00 -0.06 0.48 -0.51 0.00 0.00 0.00 175.35 175.25 3jwp s LEU 141 N 1.22 2.92 0.21 2.77 1.43 0.22 -4.97 118.68 122.47 3jwp s LEU 141 Ca 0.38 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 3jwp s LEU 141 Cb -0.17 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3jwp s LEU 141 CO 0.17 -1.06 0.45 0.54 0.23 0.00 0.00 176.35 176.67 3jwp s ASN 142 N -4.33 -0.12 0.11 2.29 2.20 -1.26 -4.80 114.94 109.04 3jwp s ASN 142 Ca 0.43 -0.74 -0.11 0.00 -0.94 0.00 0.00 52.86 51.49 3jwp s ASN 142 Cb -0.03 0.55 0.08 0.00 -2.00 0.00 0.00 41.25 39.85 3jwp s ASN 142 CO 0.26 -1.05 0.83 0.29 -2.94 0.00 0.00 177.10 174.50 3jwp n LYS 143 N -0.32 -0.16 0.00 3.55 4.76 -1.26 -1.89 118.16 122.84 3jwp n LYS 143 Ca -0.06 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 3jwp n LYS 143 Cb 0.62 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 3jwp n LYS 143 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3jwp n ILE 144 N -4.76 0.05 0.00 -0.18 -0.00 -1.26 -2.40 119.36 110.81 3jwp n ILE 144 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 3jwp n ILE 144 Cb 0.20 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.49 3jwp n ILE 144 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3jwp n LEU 146 N 0.76 0.00 -4.78 1.39 4.77 -0.79 -4.62 117.00 113.73 3jwp n LEU 146 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3jwp n LEU 146 Cb 0.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3jwp n LEU 146 CO 0.00 0.00 0.79 -1.10 -1.33 0.00 0.00 177.39 175.75 3jwp s GLN 147 N 0.00 3.64 0.58 3.23 1.11 -1.01 -4.54 119.66 122.66 3jwp s GLN 147 Ca 0.00 1.64 0.32 0.00 0.01 0.00 0.00 55.36 57.33 3jwp s GLN 147 Cb 0.00 -2.22 1.76 0.00 -1.01 0.00 0.00 33.01 31.54 3jwp s GLN 147 CO 0.00 -0.62 2.19 1.57 0.01 0.00 0.00 175.29 178.44 3jwp h LYS 148 N 1.69 0.00 -0.07 2.91 -0.00 -1.90 -1.61 116.57 117.58 3jwp h LYS 148 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3jwp h LYS 148 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3jwp h LYS 148 CO 0.59 0.05 0.00 0.25 -0.00 0.00 0.00 179.45 180.34 3jwp n THR 149 N -3.56 0.07 -1.41 0.07 -2.24 -1.26 -4.75 114.28 101.20 3jwp n THR 149 Ca -0.02 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 3jwp n THR 149 Cb 0.16 0.80 0.08 0.00 -2.10 0.00 0.00 70.33 69.27 3jwp n THR 149 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3jwp s SER 150 N -1.89 4.71 0.14 3.42 1.04 -0.61 -4.94 113.70 115.57 3jwp s SER 150 Ca 0.34 1.63 -0.13 0.00 0.48 0.00 0.00 55.95 58.28 3jwp s SER 150 Cb 0.20 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.93 3jwp s SER 150 CO 0.31 -1.88 1.60 -0.74 0.98 0.00 0.00 173.24 173.52 3jwp h HIS 151 N -1.02 0.89 0.00 5.02 -0.00 -1.91 -2.83 115.15 115.30 3jwp h HIS 151 Ca -0.45 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 59.77 3jwp h HIS 151 Cb 1.23 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3jwp h HIS 151 CO 0.56 0.85 0.00 0.34 -0.00 0.00 0.00 177.93 179.68 3jwp n PHE 152 N -4.37 0.00 0.00 5.26 -0.00 -1.26 -4.35 117.46 112.74 3jwp n PHE 152 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3jwp n PHE 152 Cb 0.30 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 3jwp n PHE 152 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 3jwp n HIS 154 N 0.51 0.00 -4.33 -5.13 -0.00 -1.07 -4.59 115.22 100.60 3jwp n HIS 154 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 3jwp n HIS 154 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 3jwp n HIS 154 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3jwp s GLN 155 N 0.00 3.04 -0.10 1.57 1.11 -1.26 -5.13 119.66 118.89 3jwp s GLN 155 Ca 0.00 -0.82 0.00 0.00 0.01 0.00 0.00 55.36 54.55 3jwp s GLN 155 Cb 0.00 -2.55 -0.02 0.00 -1.01 0.00 0.00 33.01 29.43 3jwp s GLN 155 CO 0.00 -0.12 -0.10 -0.51 0.01 0.00 0.00 175.29 174.57 3jwp s LEU 156 N 1.10 2.96 0.50 2.90 1.43 -1.26 -2.79 118.68 123.52 3jwp s LEU 156 Ca 0.00 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 3jwp s LEU 156 Cb -0.14 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 3jwp s LEU 156 CO -0.08 0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.70 3jwp s PRO 157 N -0.21 3.64 0.40 1.29 0.04 -1.26 -4.78 135.00 134.12 3jwp s PRO 157 Ca 0.02 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.32 3jwp s PRO 157 Cb -0.13 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 3jwp s PRO 157 CO 0.03 -0.59 1.35 -2.30 0.04 0.00 0.00 177.00 175.53 3jwp n PRO 158 N -0.97 2.20 -4.46 0.56 -0.02 -1.12 -4.82 135.00 126.38 3jwp n PRO 158 Ca 0.10 0.78 -0.34 0.00 -2.02 0.00 0.00 63.50 62.01 3jwp n PRO 158 Cb 0.51 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 3jwp n PRO 158 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3jwp s GLU 159 N -2.15 3.13 0.54 -0.52 2.02 -1.26 -1.04 118.70 119.42 3jwp s GLU 159 Ca 0.58 -0.48 -0.19 0.00 0.02 0.00 0.00 54.97 54.89 3jwp s GLU 159 Cb -0.51 -2.77 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 3jwp s GLU 159 CO 0.60 0.55 1.09 0.00 0.02 0.00 0.00 175.26 177.52 3jwp h PRO 161 N 1.14 0.31 0.00 0.00 0.11 -1.99 -0.12 132.00 131.45 3jwp h PRO 161 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jwp h PRO 161 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jwp h PRO 161 CO 0.57 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 3jwp n GLY 163 N -0.71 0.62 3.52 0.00 0.00 -0.06 -5.10 105.19 103.46 3jwp n GLY 163 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3jwp n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwp n GLY 164 N -1.19 -2.21 3.39 -0.02 0.00 -1.25 -4.74 105.19 99.18 3jwp n GLY 164 Ca 0.00 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 3jwp n GLY 164 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jwp s ILE 165 N -3.30 3.16 -0.09 -0.61 1.01 -1.26 -0.29 121.20 119.83 3jwp s ILE 165 Ca 0.70 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 3jwp s ILE 165 Cb -0.05 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3jwp s ILE 165 CO 0.52 0.52 0.85 -0.36 0.00 0.00 0.00 174.94 176.47 3jwp s PHE 166 N 0.31 3.54 -0.18 3.97 0.08 -0.20 -0.87 117.98 124.64 3jwp s PHE 166 Ca -0.09 1.41 -0.07 0.00 0.12 0.00 0.00 56.93 58.29 3jwp s PHE 166 Cb -0.16 -3.00 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 3jwp s PHE 166 CO 0.05 -0.08 0.05 0.21 -0.10 0.00 0.00 175.22 175.35 3jwp s LYS 167 N 1.42 3.93 0.42 0.44 2.20 -0.31 -4.67 119.74 123.17 3jwp s LYS 167 Ca 0.43 -0.37 -0.26 0.00 -0.36 0.00 0.00 55.97 55.41 3jwp s LYS 167 Cb -0.18 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 3jwp s LYS 167 CO 0.19 0.27 1.44 -2.14 -0.36 0.00 0.00 175.35 174.75 3jwp s PRO 168 N 0.36 3.85 -1.19 4.03 0.02 -1.26 -1.18 135.00 139.62 3jwp s PRO 168 Ca 0.02 2.46 -0.07 0.00 0.02 0.00 0.00 61.00 63.43 3jwp s PRO 168 Cb -0.13 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.61 3jwp s PRO 168 CO 0.00 -0.70 2.80 -1.71 -0.33 0.00 0.00 177.00 177.06 3jwp n ASN 169 N 0.05 7.83 -4.16 2.53 5.15 0.11 -4.86 115.26 121.91 3jwp n ASN 169 Ca 0.04 -2.85 -0.17 0.00 -0.60 0.00 0.00 54.58 50.99 3jwp n ASN 169 Cb 0.41 -1.43 -0.12 0.00 -0.53 0.00 0.00 39.78 38.11 3jwp n ASN 169 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3jwp s ILE 170 N 0.26 1.03 -0.06 -1.44 -4.36 -1.26 -0.82 121.20 114.55 3jwp s ILE 170 Ca 0.62 -1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 59.40 3jwp s ILE 170 Cb 0.22 -1.05 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 3jwp s ILE 170 CO -0.08 -0.28 1.19 -0.63 0.24 0.00 0.00 174.94 175.38 3jwp s ILE 171 N -1.41 4.28 0.45 8.37 1.09 -0.79 -4.95 121.20 128.22 3jwp s ILE 171 Ca -0.02 1.60 0.08 0.00 -1.10 0.00 0.00 60.65 61.21 3jwp s ILE 171 Cb -0.09 -4.03 0.02 0.00 -1.06 0.00 0.00 42.46 37.30 3jwp s ILE 171 CO 0.02 -0.01 0.56 -0.76 -0.10 0.00 0.00 174.94 174.65 3jwp s LEU 172 N 2.26 3.50 0.07 2.97 1.43 -1.26 -5.02 118.68 122.62 3jwp s LEU 172 Ca 0.55 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 3jwp s LEU 172 Cb -0.24 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.54 3jwp s LEU 172 CO 0.21 -0.84 1.83 -0.36 0.23 0.00 0.00 176.35 177.42 3jwp s PHE 173 N -2.43 1.88 0.00 0.29 0.40 -0.09 -2.05 117.98 115.98 3jwp s PHE 173 Ca 0.54 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 3jwp s PHE 173 Cb -0.08 -4.14 0.00 0.00 0.51 0.00 0.00 43.02 39.31 3jwp s PHE 173 CO 0.33 -4.83 0.00 0.41 0.70 0.00 0.00 175.22 171.82 3jwp n GLY 174 N 4.29 0.52 3.83 4.36 0.00 -1.26 -2.08 105.19 114.84 3jwp n GLY 174 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3jwp n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jwp s GLU 175 N -0.69 3.27 0.07 1.61 2.02 -0.87 -4.97 118.70 119.14 3jwp s GLU 175 Ca 0.00 -0.29 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 3jwp s GLU 175 Cb 0.00 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 3jwp s GLU 175 CO 0.00 0.72 0.30 0.14 0.02 0.00 0.00 175.26 176.44 3jwp s VAL 176 N -1.09 5.27 0.26 2.63 -7.23 -1.26 -4.78 120.40 114.20 3jwp s VAL 176 Ca 0.18 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 3jwp s VAL 176 Cb -0.12 -3.60 -0.10 0.00 0.56 0.00 0.00 36.38 33.11 3jwp s VAL 176 CO 0.08 0.21 1.50 -0.69 -0.31 0.00 0.00 175.10 175.89 3jwp s VAL 177 N -1.47 2.47 0.57 1.32 1.01 -1.26 -4.97 120.40 118.07 3jwp s VAL 177 Ca 0.34 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 3jwp s VAL 177 Cb -0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3jwp s VAL 177 CO 0.21 0.06 1.24 -0.94 0.00 0.00 0.00 175.10 175.67 3jwp s SER 178 N 0.47 5.30 0.17 3.32 1.04 -1.26 -4.91 113.70 117.82 3jwp s SER 178 Ca 0.61 2.48 -0.15 0.00 0.48 0.00 0.00 55.95 59.37 3jwp s SER 178 Cb -0.44 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.13 3jwp s SER 178 CO 0.44 -1.53 1.83 0.77 0.98 0.00 0.00 173.24 175.73 3jwp h SER 179 N 1.14 0.58 0.15 7.02 4.64 -1.99 -2.47 113.55 122.62 3jwp h SER 179 Ca -0.50 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.75 3jwp h SER 179 Cb 1.29 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3jwp h SER 179 CO 0.56 0.42 -0.19 -2.24 -0.87 0.00 0.00 176.83 174.51 3jwp h ASP 180 N 0.68 0.09 0.00 4.97 2.03 -1.99 0.62 116.42 122.82 3jwp h ASP 180 Ca 0.18 -0.02 -0.26 0.00 -0.73 0.00 0.00 57.03 56.21 3jwp h ASP 180 Cb -0.08 -0.02 0.02 0.00 -0.83 0.00 0.00 39.33 38.42 3jwp h ASP 180 CO -0.04 0.29 -1.00 0.25 -1.03 0.00 0.00 179.24 177.71 3jwp h LEU 181 N 0.09 0.90 -0.74 0.15 5.85 -1.91 -2.29 115.31 117.36 3jwp h LEU 181 Ca 0.02 -0.70 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 3jwp h LEU 181 Cb 0.40 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3jwp h LEU 181 CO 0.03 1.50 0.39 0.25 -0.34 0.00 0.00 178.44 180.27 3jwp h LEU 182 N 0.41 0.93 -0.42 2.25 6.46 -0.94 -2.82 115.31 121.18 3jwp h LEU 182 Ca -0.12 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 3jwp h LEU 182 Cb 1.65 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 41.33 3jwp h LEU 182 CO 0.20 0.77 0.06 0.11 -0.62 0.00 0.00 178.44 178.96 3jwp h LYS 183 N 1.02 0.70 -0.94 1.25 1.79 -0.86 -0.56 116.57 118.97 3jwp h LYS 183 Ca 0.26 -0.19 0.17 0.00 -2.18 0.00 0.00 60.65 58.70 3jwp h LYS 183 Cb 0.06 -0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 30.55 3jwp h LYS 183 CO -0.04 0.74 0.60 0.93 -1.08 0.00 0.00 179.45 180.60 3jwp h GLU 184 N 0.55 0.67 -0.11 3.15 5.08 -1.30 0.47 114.58 123.09 3jwp h GLU 184 Ca 0.13 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3jwp h GLU 184 Cb 0.39 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3jwp h GLU 184 CO 0.01 0.44 -0.26 0.00 -1.00 0.00 0.00 179.01 178.20 3jwp h ALA 185 N 1.61 0.18 0.07 3.43 0.00 -1.22 -2.64 119.26 120.68 3jwp h ALA 185 Ca 0.50 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3jwp h ALA 185 Cb 0.85 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3jwp h ALA 185 CO -0.25 0.18 -0.23 0.93 0.00 0.00 0.00 179.25 179.87 3jwp h GLU 186 N -0.06 -0.38 -0.92 0.00 5.08 -0.33 -2.00 114.58 115.96 3jwp h GLU 186 Ca -0.00 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3jwp h GLU 186 Cb 0.87 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 3jwp h GLU 186 CO 0.06 -0.26 0.59 0.93 -1.00 0.00 0.00 179.01 179.33 3jwp h GLU 187 N -0.40 0.76 -0.28 2.33 5.08 -0.12 0.16 114.58 122.12 3jwp h GLU 187 Ca 0.04 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3jwp h GLU 187 Cb 0.44 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3jwp h GLU 187 CO -0.16 0.50 -0.43 0.93 -1.00 0.00 0.00 179.01 178.85 3jwp h GLU 188 N 0.78 0.78 -0.55 2.33 4.39 -1.26 -3.18 114.58 117.87 3jwp h GLU 188 Ca 0.46 -0.47 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3jwp h GLU 188 Cb 0.65 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3jwp h GLU 188 CO -0.22 1.10 -0.06 0.82 -1.16 0.00 0.00 179.01 179.48 3jwp h ILE 189 N 0.53 1.27 -0.96 3.13 2.04 -0.47 -3.10 117.51 119.95 3jwp h ILE 189 Ca 0.02 -1.21 0.20 0.00 1.00 0.00 0.00 64.86 64.88 3jwp h ILE 189 Cb 1.03 0.94 -0.11 0.00 -0.74 0.00 0.00 36.82 37.93 3jwp h ILE 189 CO 0.10 0.43 0.54 0.00 0.00 0.00 0.00 178.15 179.22 3jwp h ALA 190 N 0.94 1.59 -0.71 1.87 0.00 -0.72 -0.74 119.26 121.50 3jwp h ALA 190 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3jwp h ALA 190 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3jwp h ALA 190 CO 0.04 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.49 3jwp n LYS 191 N -4.86 3.06 -3.00 0.00 2.85 -1.20 -4.95 118.16 110.05 3jwp n LYS 191 Ca 0.23 -2.71 -0.28 0.00 -1.05 0.00 0.00 58.31 54.50 3jwp n LYS 191 Cb 0.61 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 33.29 3jwp n LYS 191 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3jwp n ASP 193 N -1.61 1.14 -3.71 0.00 3.85 -0.75 -4.98 116.55 110.49 3jwp n ASP 193 Ca -0.01 -1.07 -0.13 0.00 -0.71 0.00 0.00 54.79 52.88 3jwp n ASP 193 Cb 0.55 0.59 -0.09 0.00 -1.35 0.00 0.00 41.12 40.81 3jwp n ASP 193 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3jwp s LEU 194 N -1.90 0.13 -0.19 -2.12 2.96 -1.25 -4.34 118.68 111.98 3jwp s LEU 194 Ca 0.08 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3jwp s LEU 194 Cb 0.09 1.62 0.03 0.00 0.50 0.00 0.00 46.19 48.44 3jwp s LEU 194 CO 0.33 -0.17 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.82 3jwp s LEU 195 N 0.40 2.22 -0.42 -0.68 2.96 -0.68 -1.14 118.68 121.34 3jwp s LEU 195 Ca -0.01 -0.76 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 3jwp s LEU 195 Cb -0.04 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.32 3jwp s LEU 195 CO -0.01 -0.07 0.54 -0.76 -1.32 0.00 0.00 176.35 174.73 3jwp s LEU 196 N 1.34 4.62 -0.77 -0.68 1.43 -0.38 0.01 118.68 124.25 3jwp s LEU 196 Ca 0.02 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 3jwp s LEU 196 Cb -0.15 -2.58 0.11 0.00 0.03 0.00 0.00 46.19 43.61 3jwp s LEU 196 CO -0.10 -0.66 0.97 -0.69 0.23 0.00 0.00 176.35 176.10 3jwp s VAL 197 N 2.49 4.67 -0.33 -1.59 1.01 0.14 0.53 120.40 127.31 3jwp s VAL 197 Ca 0.18 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 3jwp s VAL 197 Cb -0.15 -4.68 -0.02 0.00 0.00 0.00 0.00 36.38 31.53 3jwp s VAL 197 CO 0.16 -1.39 0.22 -0.63 0.00 0.00 0.00 175.10 173.46 3jwp s ILE 198 N 2.98 5.14 -1.04 2.22 1.01 0.19 -1.83 121.20 129.88 3jwp s ILE 198 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 3jwp s ILE 198 Cb -0.13 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3jwp s ILE 198 CO -0.00 0.00 0.87 0.61 0.00 0.00 0.00 174.94 176.43 3jwp n GLY 199 N 5.08 -0.42 0.00 6.18 0.00 -0.48 -2.92 105.19 112.64 3jwp n GLY 199 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3jwp n GLY 199 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3jwp n THR 200 N -3.62 0.00 -1.63 2.61 5.66 -1.26 -0.15 114.28 115.88 3jwp n THR 200 Ca -0.21 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.62 3jwp n THR 200 Cb 0.64 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.36 3jwp n THR 200 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3jwp n SER 201 N -0.10 -5.03 -0.23 1.09 3.41 -1.26 -4.88 113.62 106.61 3jwp n SER 201 Ca 0.00 0.35 0.03 0.00 -0.26 0.00 0.00 58.87 58.98 3jwp n SER 201 Cb 0.00 -4.03 0.15 0.00 -0.26 0.00 0.00 64.21 60.06 3jwp n SER 201 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3jwp h SER 202 N 0.00 0.16 -5.20 4.04 0.02 -1.95 -2.65 113.55 107.98 3jwp h SER 202 Ca -0.36 0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 3jwp h SER 202 Cb 1.13 0.11 -0.14 0.00 0.14 0.00 0.00 62.40 63.64 3jwp h SER 202 CO 0.50 0.07 -0.47 0.42 -1.14 0.00 0.00 176.83 176.21 3jwp s THR 203 N -6.06 0.16 0.12 -2.27 -4.23 -1.26 -4.10 115.64 98.00 3jwp s THR 203 Ca -0.13 -1.41 -0.35 0.00 -1.18 0.00 0.00 61.69 58.62 3jwp s THR 203 Cb 0.19 -1.44 -0.16 0.00 1.34 0.00 0.00 72.50 72.43 3jwp s THR 203 CO 0.75 -0.73 1.31 0.52 -0.54 0.00 0.00 174.62 175.93 3jwp n VAL 204 N -0.02 0.29 -3.88 2.29 0.31 -1.26 -4.70 118.33 111.37 3jwp n VAL 204 Ca -0.14 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 3jwp n VAL 204 Cb 0.62 -0.92 0.02 0.00 -0.91 0.00 0.00 33.84 32.65 3jwp n VAL 204 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3jwp n SER 205 N 2.44 -1.42 -0.10 4.52 3.41 -1.26 -4.98 113.62 116.24 3jwp n SER 205 Ca 0.17 -1.67 0.09 0.00 -0.26 0.00 0.00 58.87 57.20 3jwp n SER 205 Cb 0.22 2.29 0.44 0.00 -0.26 0.00 0.00 64.21 66.90 3jwp n SER 205 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3jwp h THR 206 N 1.87 0.97 -0.26 6.66 2.02 -2.00 -2.66 112.91 119.51 3jwp h THR 206 Ca -0.23 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 3jwp h THR 206 Cb 1.05 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3jwp h THR 206 CO 0.31 0.10 -0.24 0.00 0.37 0.00 0.00 175.52 176.06 3jwp h ALA 207 N 1.68 0.38 -0.51 6.16 0.00 -1.95 -2.16 119.26 122.86 3jwp h ALA 207 Ca 0.27 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3jwp h ALA 207 Cb 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3jwp h ALA 207 CO -0.08 0.35 0.20 1.15 0.00 0.00 0.00 179.25 180.87 3jwp h THR 208 N 0.34 0.84 -0.32 0.00 2.02 -1.77 -1.17 112.91 112.85 3jwp h THR 208 Ca 0.04 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 3jwp h THR 208 Cb 0.80 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3jwp h THR 208 CO 0.06 0.07 -0.00 0.78 0.37 0.00 0.00 175.52 176.80 3jwp h ASN 209 N 0.38 0.46 0.53 4.18 2.35 -1.30 -0.65 115.58 121.54 3jwp h ASN 209 Ca 0.25 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 3jwp h ASN 209 Cb 0.25 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3jwp h ASN 209 CO -0.24 0.53 -0.54 -0.07 -1.65 0.00 0.00 177.43 175.46 3jwp h LEU 210 N 0.48 0.00 -0.46 1.61 3.38 -0.76 -0.63 115.31 118.94 3jwp h LEU 210 Ca 0.10 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3jwp h LEU 210 Cb 0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3jwp h LEU 210 CO 0.01 0.54 -0.33 0.00 0.09 0.00 0.00 178.44 178.75 3jwp h HIS 212 N 0.76 0.05 -0.85 0.00 -0.00 -0.84 -1.67 115.15 112.60 3jwp h HIS 212 Ca 0.07 -0.00 0.20 0.00 -0.00 0.00 0.00 60.37 60.65 3jwp h HIS 212 Cb 0.91 -0.02 -0.12 0.00 -0.00 0.00 0.00 27.41 28.19 3jwp h HIS 212 CO 0.06 0.13 0.31 0.35 -0.00 0.00 0.00 177.93 178.77 3jwp h PHE 213 N -0.05 0.50 -0.52 5.26 3.04 -1.10 -0.70 116.94 123.36 3jwp h PHE 213 Ca 0.01 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3jwp h PHE 213 Cb 0.10 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 3jwp h PHE 213 CO -0.04 -0.08 0.28 0.00 -2.02 0.00 0.00 178.31 176.45 3jwp h ALA 214 N 1.69 0.67 0.23 2.41 0.00 -0.65 -1.45 119.26 122.16 3jwp h ALA 214 Ca 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3jwp h ALA 214 Cb 0.96 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3jwp h ALA 214 CO -0.54 0.20 -0.14 0.00 0.00 0.00 0.00 179.25 178.77 3jwp h LYS 216 N -0.35 0.45 -0.69 0.00 5.09 -0.91 0.68 116.57 120.84 3jwp h LYS 216 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.69 3jwp h LYS 216 Cb 0.29 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 32.52 3jwp h LYS 216 CO 0.03 0.30 0.00 1.63 -2.09 0.00 0.00 179.45 179.32 3jwp n LYS 217 N -4.66 2.88 -3.31 0.07 5.02 -0.57 -4.94 118.16 112.65 3jwp n LYS 217 Ca 0.25 -1.68 -0.24 0.00 -2.02 0.00 0.00 58.31 54.62 3jwp n LYS 217 Cb 0.80 -1.79 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 3jwp n LYS 217 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3jwp n LYS 218 N 0.43 -4.29 -3.35 1.97 -0.00 0.24 -4.96 118.16 108.20 3jwp n LYS 218 Ca 0.15 0.65 -0.38 0.00 -0.00 0.00 0.00 58.31 58.73 3jwp n LYS 218 Cb 0.68 -5.44 -0.06 0.00 -0.00 0.00 0.00 35.03 30.20 3jwp n LYS 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3jwp s LYS 219 N -5.98 4.13 -0.01 -1.58 -0.14 -0.40 -5.01 119.74 110.74 3jwp s LYS 219 Ca 0.40 0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 55.30 3jwp s LYS 219 Cb -0.20 -3.26 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 3jwp s LYS 219 CO 0.49 0.58 1.57 0.21 -0.76 0.00 0.00 175.35 177.45 3jwp s LYS 220 N -0.84 4.22 -0.12 1.68 2.20 -1.26 -4.62 119.74 121.00 3jwp s LYS 220 Ca 0.27 2.15 -0.01 0.00 -0.36 0.00 0.00 55.97 58.02 3jwp s LYS 220 Cb -0.18 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.37 3jwp s LYS 220 CO 0.16 -0.73 -0.08 0.42 -0.36 0.00 0.00 175.35 174.76 3jwp s ILE 221 N 3.14 3.55 -0.11 5.43 1.01 -1.26 -1.69 121.20 131.26 3jwp s ILE 221 Ca 0.70 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.87 3jwp s ILE 221 Cb -0.34 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.64 3jwp s ILE 221 CO 0.29 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.89 3jwp s VAL 222 N -0.02 1.71 -0.20 2.92 1.01 0.10 -1.84 120.40 124.09 3jwp s VAL 222 Ca -0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3jwp s VAL 222 Cb -0.14 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3jwp s VAL 222 CO 0.03 0.48 0.12 -0.70 0.00 0.00 0.00 175.10 175.04 3jwp s GLU 223 N 0.85 4.16 -0.20 2.72 2.12 -0.27 -0.69 118.70 127.39 3jwp s GLU 223 Ca -0.08 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.02 3jwp s GLU 223 Cb -0.15 -3.39 0.04 0.00 0.26 0.00 0.00 34.13 30.89 3jwp s GLU 223 CO -0.00 0.30 -0.10 0.42 -0.54 0.00 0.00 175.26 175.34 3jwp s ILE 224 N 0.36 1.67 -0.14 -3.70 1.09 -0.76 0.13 121.20 119.84 3jwp s ILE 224 Ca 0.07 -1.06 -0.30 0.00 -1.10 0.00 0.00 60.65 58.27 3jwp s ILE 224 Cb -0.11 -1.76 0.11 0.00 -1.06 0.00 0.00 42.46 39.64 3jwp s ILE 224 CO -0.02 0.14 0.89 0.21 -0.10 0.00 0.00 174.94 176.07 3jwp s ASN 225 N 1.38 -0.48 0.44 3.58 3.84 -0.81 -1.38 114.94 121.52 3jwp s ASN 225 Ca -0.02 0.58 0.30 0.00 0.21 0.00 0.00 52.86 53.93 3jwp s ASN 225 Cb -0.17 0.47 1.29 0.00 -0.55 0.00 0.00 41.25 42.29 3jwp s ASN 225 CO -0.08 -0.40 1.90 0.16 -2.79 0.00 0.00 177.10 175.89 3jwp h ILE 226 N 2.84 0.00 -4.38 -5.21 3.07 -1.84 -3.00 117.51 108.98 3jwp h ILE 226 Ca -0.22 -0.36 -0.35 0.00 1.55 0.00 0.00 64.86 65.47 3jwp h ILE 226 Cb 1.16 1.25 -0.14 0.00 -0.27 0.00 0.00 36.82 38.82 3jwp h ILE 226 CO 0.31 0.00 -0.57 -0.94 -1.05 0.00 0.00 178.15 175.89 3jwp s SER 227 N -5.08 0.98 0.85 2.16 1.04 -1.26 -4.84 113.70 107.55 3jwp s SER 227 Ca 0.02 -1.52 -0.12 0.00 0.48 0.00 0.00 55.95 54.82 3jwp s SER 227 Cb 0.09 0.40 0.10 0.00 0.10 0.00 0.00 66.02 66.71 3jwp s SER 227 CO 0.47 -0.89 1.10 -0.54 0.98 0.00 0.00 173.24 174.36 3jwp s LYS 228 N -3.90 1.67 0.00 4.02 1.02 -1.26 -5.03 119.74 116.27 3jwp s LYS 228 Ca 0.38 0.69 0.00 0.00 0.02 0.00 0.00 55.97 57.06 3jwp s LYS 228 Cb 0.06 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 3jwp s LYS 228 CO 0.17 -1.92 0.00 0.25 -0.92 0.00 0.00 175.35 172.93 3jwp n THR 229 N -3.64 0.00 0.02 2.17 -2.24 -1.26 -5.01 114.28 104.31 3jwp n THR 229 Ca 0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3jwp n THR 229 Cb 0.56 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 69.09 3jwp n THR 229 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3jwp h TYR 230 N 0.85 0.50 0.00 4.78 5.03 -1.62 -2.95 116.97 123.56 3jwp h TYR 230 Ca 0.00 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.25 3jwp h TYR 230 Cb 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.14 3jwp h TYR 230 CO 0.00 0.53 -0.35 0.44 -1.32 0.00 0.00 178.16 177.45 3jwp n ILE 231 N -4.26 0.38 -1.98 1.81 -5.35 -1.26 -4.71 119.36 103.99 3jwp n ILE 231 Ca 0.01 -0.23 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 3jwp n ILE 231 Cb 0.26 -0.28 -0.02 0.00 -1.74 0.00 0.00 39.64 37.86 3jwp n ILE 231 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3jwp s THR 232 N -3.12 2.61 -1.65 7.28 2.01 -1.12 -1.68 115.64 119.97 3jwp s THR 232 Ca 0.09 0.49 -0.17 0.00 0.31 0.00 0.00 61.69 62.41 3jwp s THR 232 Cb 0.14 -3.31 0.13 0.00 0.01 0.00 0.00 72.50 69.47 3jwp s THR 232 CO 0.66 0.07 0.84 0.59 -0.69 0.00 0.00 174.62 176.09 3jwp n ASN 233 N 2.70 -3.71 0.00 3.53 3.02 -1.26 -4.91 115.26 114.63 3jwp n ASN 233 Ca 0.08 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3jwp n ASN 233 Cb 0.40 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 3jwp n ASN 233 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3jwp n LYS 234 N -4.48 0.00 -0.03 3.52 3.00 -0.68 -3.90 118.16 115.60 3jwp n LYS 234 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 3jwp n LYS 234 Cb 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 35.03 35.16 3jwp n LYS 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3jwp n SER 236 N -0.74 0.00 -0.02 3.14 3.41 -0.76 -3.93 113.62 114.72 3jwp n SER 236 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 3jwp n SER 236 Cb 0.00 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 63.77 3jwp n SER 236 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3jwp n ASP 237 N -0.04 1.64 -4.17 4.04 8.00 -0.76 -4.35 116.55 120.91 3jwp n ASP 237 Ca 0.00 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.59 3jwp n ASP 237 Cb 0.00 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 3jwp n ASP 237 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3jwp s TYR 238 N -2.56 0.93 -0.06 1.24 2.02 -0.93 -2.57 117.35 115.42 3jwp s TYR 238 Ca -0.18 -0.81 0.01 0.00 -0.37 0.00 0.00 57.07 55.71 3jwp s TYR 238 Cb 0.07 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 41.13 3jwp s TYR 238 CO 0.77 -0.09 -0.05 -1.58 -1.57 0.00 0.00 175.55 173.02 3jwp s HIS 239 N -3.17 0.91 -0.31 2.71 5.65 -0.95 -1.11 115.29 119.02 3jwp s HIS 239 Ca 0.09 -0.30 -0.07 0.00 0.25 0.00 0.00 55.06 55.03 3jwp s HIS 239 Cb 0.02 -0.80 0.02 0.00 -1.18 0.00 0.00 32.58 30.64 3jwp s HIS 239 CO -0.03 -0.26 0.10 0.08 -0.65 0.00 0.00 174.74 173.98 3jwp s VAL 240 N 1.13 3.94 -0.86 0.89 1.01 0.35 -1.52 120.40 125.34 3jwp s VAL 240 Ca -0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3jwp s VAL 240 Cb -0.14 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.21 3jwp s VAL 240 CO -0.01 -0.02 1.22 0.00 0.00 0.00 0.00 175.10 176.28 3jwp s ALA 242 N 4.28 -1.30 0.50 0.00 0.00 -1.13 -4.96 121.76 119.16 3jwp s ALA 242 Ca 0.35 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 3jwp s ALA 242 Cb -0.07 0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.26 3jwp s ALA 242 CO -0.01 -0.45 1.02 -1.59 0.00 0.00 0.00 175.76 174.73 3jwp s LYS 243 N -2.14 3.80 0.22 0.00 0.00 -1.26 -3.32 119.74 117.04 3jwp s LYS 243 Ca -0.07 1.23 -0.11 0.00 0.00 0.00 0.00 55.97 57.02 3jwp s LYS 243 Cb -0.01 -2.10 0.31 0.00 0.00 0.00 0.00 37.83 36.03 3jwp s LYS 243 CO 0.01 -0.42 1.64 0.35 0.00 0.00 0.00 175.35 176.93 3jwp h PHE 244 N 1.30 -0.17 0.00 1.78 3.57 -1.92 -1.15 116.94 120.34 3jwp h PHE 244 Ca -0.48 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3jwp h PHE 244 Cb 1.21 0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.13 3jwp h PHE 244 CO 0.59 -0.23 0.00 0.66 -2.23 0.00 0.00 178.31 177.10 3jwp h SER 245 N 0.06 0.00 0.00 0.41 4.64 -1.93 -1.65 113.55 115.09 3jwp h SER 245 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3jwp h SER 245 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3jwp h SER 245 CO -0.62 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.72 3jwp n GLU 246 N -2.53 0.85 0.27 4.77 1.02 -0.44 -3.42 120.64 121.17 3jwp n GLU 246 Ca -0.01 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.28 3jwp n GLU 246 Cb 0.09 -1.34 0.69 0.00 -0.02 0.00 0.00 31.44 30.86 3jwp n GLU 246 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3jwp h LEU 247 N 0.00 0.00 -1.70 -4.62 3.38 -1.46 -2.65 115.31 108.26 3jwp h LEU 247 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3jwp h LEU 247 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3jwp h LEU 247 CO 0.00 0.07 0.26 0.71 0.09 0.00 0.00 178.44 179.57 3jwp h THR 248 N 0.00 1.02 -0.97 0.22 1.35 -1.80 0.17 112.91 112.89 3jwp h THR 248 Ca -0.00 -0.13 0.16 0.00 -0.55 0.00 0.00 66.41 65.88 3jwp h THR 248 Cb 0.50 0.60 -0.10 0.00 -1.73 0.00 0.00 68.15 67.42 3jwp h THR 248 CO 0.01 0.07 0.59 0.11 -0.25 0.00 0.00 175.52 176.05 3jwp h LYS 249 N 0.39 0.80 0.05 4.72 6.56 -1.75 -0.35 116.57 126.98 3jwp h LYS 249 Ca 0.16 -0.05 -0.17 0.00 -1.06 0.00 0.00 60.65 59.53 3jwp h LYS 249 Cb 0.15 -0.18 0.02 0.00 -0.57 0.00 0.00 32.23 31.64 3jwp h LYS 249 CO -0.04 0.53 -0.70 0.28 -2.06 0.00 0.00 179.45 177.47 3jwp h VAL 250 N 0.83 1.44 -0.80 0.50 2.07 -0.91 -3.25 116.25 116.14 3jwp h VAL 250 Ca 0.53 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 3jwp h VAL 250 Cb 0.70 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.21 3jwp h VAL 250 CO -0.33 0.64 0.46 0.00 0.02 0.00 0.00 177.57 178.36 3jwp h ALA 251 N 0.25 1.02 -0.90 1.67 0.00 -0.72 -2.83 119.26 117.75 3jwp h ALA 251 Ca -0.10 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3jwp h ALA 251 Cb 1.44 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3jwp h ALA 251 CO 0.13 0.51 0.59 -0.91 0.00 0.00 0.00 179.25 179.57 3jwp h ASN 252 N 1.10 1.00 -0.20 0.00 2.35 -1.17 -1.19 115.58 117.46 3jwp h ASN 252 Ca 0.28 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 3jwp h ASN 252 Cb -0.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3jwp h ASN 252 CO -0.05 0.70 -0.01 0.40 -1.65 0.00 0.00 177.43 176.82 3jwp h ILE 253 N 1.17 1.26 0.00 2.81 2.04 -1.54 -2.97 117.51 120.29 3jwp h ILE 253 Ca 0.35 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3jwp h ILE 253 Cb -0.06 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3jwp h ILE 253 CO -0.10 0.27 0.00 -0.07 0.00 0.00 0.00 178.15 178.26 3jwp h LEU 254 N 0.10 0.00 -0.16 1.44 3.38 -1.37 -3.00 115.31 115.70 3jwp h LEU 254 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3jwp h LEU 254 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3jwp h LEU 254 CO 0.01 0.00 -0.06 0.11 0.09 0.00 0.00 178.44 178.59 3jwp h LYS 255 N 0.00 0.32 0.00 1.13 1.57 -1.06 -3.51 116.57 115.02 3jwp h LYS 255 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3jwp h LYS 255 Cb 0.60 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3jwp h LYS 255 CO 0.00 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.91