#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwg h MET -1 N 0.00 0.78 0.00 0.00 1.85 -2.03 -0.95 114.93 114.58 3lwg h MET -1 Ca 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3lwg h MET -1 Cb 0.00 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.85 3lwg h MET -1 CO 0.00 0.51 0.00 -1.91 -0.40 0.00 0.00 176.91 175.11 3lwg n GLU 0 N -4.46 0.97 -0.00 0.39 2.13 -1.26 -0.90 120.64 117.51 3lwg n GLU 0 Ca 0.08 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.96 3lwg n GLU 0 Cb 0.12 -1.18 -0.09 0.00 0.27 0.00 0.00 31.44 30.56 3lwg n GLU 0 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3lwg n MET 1 N -0.68 0.75 0.00 5.31 2.81 -0.37 -4.52 117.12 120.41 3lwg n MET 1 Ca 0.09 -0.09 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 3lwg n MET 1 Cb 0.04 -1.24 0.22 0.00 -0.71 0.00 0.00 33.22 31.53 3lwg n MET 1 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3lwg n ASN 2 N -1.82 1.68 -4.71 7.83 3.02 -0.08 -4.80 115.26 116.39 3lwg n ASN 2 Ca -0.02 -1.33 -0.42 0.00 -0.03 0.00 0.00 54.58 52.79 3lwg n ASN 2 Cb 0.29 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 3lwg n ASN 2 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3lwg s MET 3 N -2.37 4.44 0.31 3.52 -1.94 -0.80 -4.88 119.30 117.57 3lwg s MET 3 Ca 0.24 1.71 0.18 0.00 -1.71 0.00 0.00 55.69 56.11 3lwg s MET 3 Cb 0.19 -3.39 0.99 0.00 2.01 0.00 0.00 34.83 34.63 3lwg s MET 3 CO 0.49 -0.25 1.53 0.00 -0.01 0.00 0.00 175.02 176.78 3lwg n ALA 4 N 4.09 0.92 0.04 3.03 0.00 -1.26 -0.12 120.51 127.21 3lwg n ALA 4 Ca 0.09 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.81 3lwg n ALA 4 Cb 0.47 -1.15 0.27 0.00 0.00 0.00 0.00 19.45 19.04 3lwg n ALA 4 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3lwg n ASP 5 N -2.16 3.59 -4.73 0.00 5.75 -1.26 -5.00 116.55 112.73 3lwg n ASP 5 Ca -0.01 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 3lwg n ASP 5 Cb 0.11 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 3lwg n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lwg n ALA 6 N 1.50 1.72 -1.77 2.12 0.00 0.82 -4.89 120.51 120.01 3lwg n ALA 6 Ca 0.22 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.58 3lwg n ALA 6 Cb 0.59 -2.32 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 3lwg n ALA 6 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3lwg s PRO 7 N -2.08 3.96 0.24 0.00 0.02 -1.26 -4.90 135.00 130.98 3lwg s PRO 7 Ca 0.56 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.71 3lwg s PRO 7 Cb -0.51 -2.76 0.40 0.00 0.02 0.00 0.00 34.50 31.65 3lwg s PRO 7 CO 0.61 -0.50 1.79 1.25 -0.33 0.00 0.00 177.00 179.82 3lwg h LEU 8 N 2.67 0.56 -0.09 -5.54 5.85 -1.98 -2.47 115.31 114.31 3lwg h LEU 8 Ca -0.50 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3lwg h LEU 8 Cb 1.25 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3lwg h LEU 8 CO 0.63 0.30 0.00 -0.62 -0.34 0.00 0.00 178.44 178.41 3lwg n GLU 9 N -4.82 0.02 -0.29 1.25 4.71 -1.26 -4.14 120.64 116.11 3lwg n GLU 9 Ca 0.13 0.31 -0.08 0.00 -0.01 0.00 0.00 57.16 57.52 3lwg n GLU 9 Cb 0.31 -1.54 -0.07 0.00 -1.01 0.00 0.00 31.44 29.13 3lwg n GLU 9 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3lwg n GLU 10 N -1.58 -0.31 -0.27 3.49 4.07 -0.93 -1.41 120.64 123.71 3lwg n GLU 10 Ca 0.03 1.23 0.04 0.00 -0.06 0.00 0.00 57.16 58.40 3lwg n GLU 10 Cb 0.15 -1.81 0.16 0.00 -0.06 0.00 0.00 31.44 29.88 3lwg n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3lwg n GLY 11 N -1.17 1.21 3.71 8.31 0.00 -1.26 -4.89 105.19 111.09 3lwg n GLY 11 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3lwg n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lwg s LEU 12 N -1.10 4.35 0.00 0.99 2.96 -0.50 -4.90 118.68 120.48 3lwg s LEU 12 Ca 0.23 1.65 0.15 0.00 -0.22 0.00 0.00 54.13 55.94 3lwg s LEU 12 Cb 0.15 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 3lwg s LEU 12 CO 0.12 -0.30 0.83 0.18 -1.32 0.00 0.00 176.35 175.86 3lwg n LEU 13 N 4.12 1.59 -4.48 -0.68 4.77 -1.26 -4.99 117.00 116.07 3lwg n LEU 13 Ca 0.07 -0.77 -0.23 0.00 -0.03 0.00 0.00 56.01 55.05 3lwg n LEU 13 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 3lwg n LEU 13 CO 0.52 0.31 -0.30 0.68 -1.33 0.00 0.00 177.39 177.27 3lwg s VAL 14 N -1.82 1.47 -1.50 4.08 -7.23 -1.26 -4.52 120.40 109.61 3lwg s VAL 14 Ca 0.13 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.16 3lwg s VAL 14 Cb 0.12 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.38 3lwg s VAL 14 CO 0.38 -0.07 0.85 0.00 -0.31 0.00 0.00 175.10 175.95 3lwg h THR 16 N -1.95 0.75 -0.22 0.00 1.35 -1.94 -2.21 112.91 108.68 3lwg h THR 16 Ca -0.59 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3lwg h THR 16 Cb 1.37 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3lwg h THR 16 CO 0.66 0.09 0.00 0.54 -0.25 0.00 0.00 175.52 176.56 3lwg n ARG 17 N -3.96 1.88 -2.41 4.72 5.12 -1.26 -5.00 116.66 115.74 3lwg n ARG 17 Ca -0.02 -1.76 -0.43 0.00 -1.93 0.00 0.00 57.85 53.71 3lwg n ARG 17 Cb 0.19 -1.31 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 3lwg n ARG 17 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3lwg s LEU 18 N -1.09 4.15 -0.46 0.55 2.96 -0.83 -4.97 118.68 118.98 3lwg s LEU 18 Ca 0.23 1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 55.51 3lwg s LEU 18 Cb 0.13 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.31 3lwg s LEU 18 CO 0.19 -0.80 1.26 -0.62 -1.32 0.00 0.00 176.35 175.06 3lwg s ASP 19 N 2.10 6.49 0.57 3.68 -1.08 -1.26 -4.90 116.67 122.27 3lwg s ASP 19 Ca 0.55 0.58 0.26 0.00 -0.52 0.00 0.00 52.55 53.43 3lwg s ASP 19 Cb -0.21 -2.55 1.68 0.00 -1.46 0.00 0.00 42.92 40.38 3lwg s ASP 19 CO 0.16 -1.35 2.23 1.56 0.52 0.00 0.00 175.17 178.28 3lwg h GLN 20 N 9.88 0.00 0.00 4.34 4.20 -1.94 -1.47 115.11 130.12 3lwg h GLN 20 Ca -0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 3lwg h GLN 20 Cb 1.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 3lwg h GLN 20 CO 1.12 0.01 -0.06 -0.91 -0.67 0.00 0.00 178.83 178.31 3lwg h ASN 21 N 0.00 0.00 -0.29 1.46 2.35 -1.91 -1.21 115.58 115.98 3lwg h ASN 21 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3lwg h ASN 21 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3lwg h ASN 21 CO 0.00 0.06 0.00 0.18 -1.65 0.00 0.00 177.43 176.02 3lwg n LEU 22 N -3.49 2.83 0.00 1.61 4.77 -0.56 -4.85 117.00 117.32 3lwg n LEU 22 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 3lwg n LEU 22 Cb 0.19 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3lwg n LEU 22 CO 0.27 0.59 0.00 0.00 -1.33 0.00 0.00 177.39 176.92 3lwg s ALA 24 N -2.00 -1.78 -0.13 0.00 0.00 -0.79 -4.54 121.76 112.52 3lwg s ALA 24 Ca 0.00 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 3lwg s ALA 24 Cb 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 3lwg s ALA 24 CO 0.00 -0.75 0.61 -2.00 0.00 0.00 0.00 175.76 173.62 3lwg s GLU 25 N -3.20 4.33 0.03 0.00 2.56 -0.01 -4.63 118.70 117.78 3lwg s GLU 25 Ca 0.06 0.66 -0.30 0.00 0.00 0.00 0.00 54.97 55.39 3lwg s GLU 25 Cb -0.01 -3.49 -0.06 0.00 2.00 0.00 0.00 34.13 32.57 3lwg s GLU 25 CO -0.08 -0.02 1.29 -1.17 -0.56 0.00 0.00 175.26 174.73 3lwg s LEU 26 N 1.16 4.34 -0.22 2.70 2.96 -1.26 -0.53 118.68 127.82 3lwg s LEU 26 Ca 0.31 2.06 -0.07 0.00 -0.22 0.00 0.00 54.13 56.21 3lwg s LEU 26 Cb -0.16 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.85 3lwg s LEU 26 CO 0.13 -0.60 -0.26 -0.38 -1.32 0.00 0.00 176.35 173.93 3lwg n ILE 27 N 4.27 1.23 -3.52 6.68 2.08 0.01 -4.94 119.36 125.18 3lwg n ILE 27 Ca 0.11 -0.37 -0.14 0.00 0.56 0.00 0.00 62.75 62.91 3lwg n ILE 27 Cb 0.45 -1.62 -0.04 0.00 -0.75 0.00 0.00 39.64 37.67 3lwg n ILE 27 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3lwg s SER 28 N -6.71 -0.52 0.09 4.38 1.04 -0.96 -4.97 113.70 106.05 3lwg s SER 28 Ca -0.31 0.23 -0.23 0.00 0.48 0.00 0.00 55.95 56.12 3lwg s SER 28 Cb 0.11 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.82 3lwg s SER 28 CO 0.43 -0.78 0.56 0.72 0.98 0.00 0.00 173.24 175.16 3lwg s PHE 29 N -2.60 -0.48 0.00 5.02 -0.71 -1.26 -0.99 117.98 116.95 3lwg s PHE 29 Ca -0.04 0.44 0.00 0.00 -1.04 0.00 0.00 56.93 56.29 3lwg s PHE 29 Cb -0.01 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 3lwg s PHE 29 CO -0.03 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 173.53 3lwg n GLY 30 N 0.09 4.29 3.25 1.99 0.00 -0.55 -5.00 105.19 109.26 3lwg n GLY 30 Ca -0.18 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 3lwg n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3lwg n SER 31 N 0.00 -5.58 0.00 1.61 7.64 -1.26 -1.97 113.62 114.06 3lwg n SER 31 Ca 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.50 3lwg n SER 31 Cb 0.00 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 58.70 3lwg n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lwg n GLY 32 N -1.54 0.50 3.11 0.23 0.00 -1.25 -4.98 105.19 101.27 3lwg n GLY 32 Ca -0.06 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 3lwg n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lwg s LYS 33 N -1.03 0.68 -0.00 1.61 1.02 -0.83 -0.99 119.74 120.18 3lwg s LYS 33 Ca 0.00 -1.25 -0.25 0.00 0.02 0.00 0.00 55.97 54.49 3lwg s LYS 33 Cb 0.00 0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.45 3lwg s LYS 33 CO 0.00 -0.08 0.55 0.00 -0.92 0.00 0.00 175.35 174.90 3lwg s ALA 34 N -3.81 -1.41 -0.04 5.17 0.00 -0.51 -1.47 121.76 119.68 3lwg s ALA 34 Ca 0.08 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.94 3lwg s ALA 34 Cb 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 3lwg s ALA 34 CO -0.08 -0.40 -0.17 0.99 0.00 0.00 0.00 175.76 176.10 3lwg s THR 35 N -1.71 1.40 0.14 0.00 2.01 -0.16 -0.51 115.64 116.81 3lwg s THR 35 Ca -0.09 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.26 3lwg s THR 35 Cb -0.01 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3lwg s THR 35 CO 0.04 0.40 -0.12 0.68 -0.69 0.00 0.00 174.62 174.94 3lwg s VAL 36 N 0.05 1.25 -0.12 3.82 -7.23 -0.63 -0.81 120.40 116.72 3lwg s VAL 36 Ca -0.04 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3lwg s VAL 36 Cb -0.11 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.14 3lwg s VAL 36 CO 0.02 -0.61 -0.10 0.00 -0.31 0.00 0.00 175.10 174.10 3lwg s LEU 38 N 1.59 3.70 -0.38 0.00 2.96 -0.02 -0.83 118.68 125.70 3lwg s LEU 38 Ca 0.04 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3lwg s LEU 38 Cb -0.13 -1.97 0.09 0.00 0.50 0.00 0.00 46.19 44.68 3lwg s LEU 38 CO -0.08 0.05 0.16 -0.89 -1.32 0.00 0.00 176.35 174.27 3lwg s THR 39 N 1.09 3.27 0.44 3.68 2.01 -1.26 -0.97 115.64 123.90 3lwg s THR 39 Ca 0.05 -1.84 -0.25 0.00 0.31 0.00 0.00 61.69 59.95 3lwg s THR 39 Cb -0.14 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 3lwg s THR 39 CO 0.04 -0.53 1.40 -2.84 -0.69 0.00 0.00 174.62 172.00 3lwg s PRO 40 N 1.19 3.73 0.35 4.92 0.02 -1.25 -4.81 135.00 139.14 3lwg s PRO 40 Ca 0.05 2.37 0.07 0.00 0.02 0.00 0.00 61.00 63.51 3lwg s PRO 40 Cb -0.22 -2.67 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 3lwg s PRO 40 CO -0.03 -0.76 0.31 0.15 -0.33 0.00 0.00 177.00 176.34 3lwg s LYS 41 N -2.42 2.69 0.33 5.54 -0.14 -1.26 -2.56 119.74 121.92 3lwg s LYS 41 Ca 0.60 -1.34 0.07 0.00 -1.36 0.00 0.00 55.97 53.94 3lwg s LYS 41 Cb -0.43 -2.46 0.75 0.00 -1.68 0.00 0.00 37.83 34.02 3lwg s LYS 41 CO 0.55 0.03 1.83 0.93 -0.76 0.00 0.00 175.35 177.93 3lwg h GLU 42 N 1.19 0.74 0.00 1.68 5.08 -2.00 -0.14 114.58 121.13 3lwg h GLU 42 Ca -0.44 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3lwg h GLU 42 Cb 1.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3lwg h GLU 42 CO 0.58 0.49 0.00 1.97 -1.00 0.00 0.00 179.01 181.05 3lwg n PHE 43 N -4.63 0.00 1.23 4.33 1.16 -1.26 -2.06 117.46 116.23 3lwg n PHE 43 Ca 0.20 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.91 3lwg n PHE 43 Cb 0.49 -0.45 0.30 0.00 -1.61 0.00 0.00 39.48 38.21 3lwg n PHE 43 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3lwg n MET 44 N -1.45 1.58 -2.63 3.97 2.81 -0.07 -4.95 117.12 116.38 3lwg n MET 44 Ca 0.04 -1.11 -0.40 0.00 -1.81 0.00 0.00 57.70 54.41 3lwg n MET 44 Cb 0.15 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 3lwg n MET 44 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3lwg s LEU 45 N -2.19 4.58 -0.15 4.03 1.43 -0.88 -0.81 118.68 124.70 3lwg s LEU 45 Ca 0.29 2.04 -0.13 0.00 -1.03 0.00 0.00 54.13 55.31 3lwg s LEU 45 Cb 0.20 -3.61 -0.24 0.00 0.03 0.00 0.00 46.19 42.57 3lwg s LEU 45 CO 0.41 -0.01 0.34 0.00 0.23 0.00 0.00 176.35 177.31 3lwg h ALA 46 N 4.36 0.35 -1.64 4.21 0.00 -1.05 -3.43 119.26 122.07 3lwg h ALA 46 Ca -0.45 -1.31 -0.54 0.00 0.00 0.00 0.00 54.91 52.61 3lwg h ALA 46 Cb 1.21 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 19.56 3lwg h ALA 46 CO 0.69 1.07 -0.55 -1.21 0.00 0.00 0.00 179.25 179.25 3lwg s GLU 47 N -2.49 1.86 0.22 0.00 0.41 -0.93 -5.01 118.70 112.76 3lwg s GLU 47 Ca -0.24 -2.11 -0.08 0.00 -0.41 0.00 0.00 54.97 52.13 3lwg s GLU 47 Cb 0.06 -0.83 0.27 0.00 -1.78 0.00 0.00 34.13 31.86 3lwg s GLU 47 CO 0.71 -0.35 1.81 -0.44 -0.49 0.00 0.00 175.26 176.50 3lwg h ASP 48 N 1.86 0.60 -0.35 -0.19 3.45 -2.02 -2.80 116.42 116.97 3lwg h ASP 48 Ca -0.38 0.03 -0.12 0.00 0.43 0.00 0.00 57.03 56.99 3lwg h ASP 48 Cb 1.27 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.88 3lwg h ASP 48 CO 0.64 0.38 0.00 0.47 -1.57 0.00 0.00 179.24 179.17 3lwg n ASP 49 N -4.76 3.22 -3.63 6.45 8.00 -1.26 -4.83 116.55 119.74 3lwg n ASP 49 Ca 0.10 -3.41 -0.22 0.00 0.71 0.00 0.00 54.79 51.96 3lwg n ASP 49 Cb 0.19 -0.61 -0.17 0.00 -0.02 0.00 0.00 41.12 40.51 3lwg n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lwg s VAL 50 N -3.05 -0.12 0.25 2.53 1.01 -1.06 -4.48 120.40 115.47 3lwg s VAL 50 Ca 0.44 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3lwg s VAL 50 Cb 0.38 -0.38 -0.09 0.00 0.00 0.00 0.00 36.38 36.29 3lwg s VAL 50 CO 0.05 -0.05 1.17 -0.69 0.00 0.00 0.00 175.10 175.58 3lwg s VAL 51 N 2.17 3.40 0.33 2.92 1.01 0.13 -0.48 120.40 129.90 3lwg s VAL 51 Ca 0.04 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 3lwg s VAL 51 Cb -0.14 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3lwg s VAL 51 CO -0.06 0.27 1.34 -2.28 0.00 0.00 0.00 175.10 174.36 3lwg s HIS 52 N -0.66 2.99 0.59 5.22 2.46 0.01 -4.67 115.29 121.22 3lwg s HIS 52 Ca 0.49 1.36 0.29 0.00 0.47 0.00 0.00 55.06 57.67 3lwg s HIS 52 Cb -0.33 -3.73 1.75 0.00 -0.13 0.00 0.00 32.58 30.14 3lwg s HIS 52 CO 0.41 -2.05 2.20 0.00 -2.47 0.00 0.00 174.74 172.83 3lwg h ALA 53 N 3.43 1.64 -0.75 1.58 0.00 -1.93 -1.47 119.26 121.76 3lwg h ALA 53 Ca -0.49 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3lwg h ALA 53 Cb 1.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3lwg h ALA 53 CO 0.66 -0.11 0.34 0.78 0.00 0.00 0.00 179.25 180.92 3lwg h GLY 54 N 0.00 1.16 1.64 0.00 0.00 -1.95 -0.26 103.07 103.65 3lwg h GLY 54 Ca 0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 46.61 3lwg h GLY 54 CO -0.00 0.55 -0.73 0.74 0.00 0.00 0.00 176.54 177.10 3lwg h PHE 55 N 1.07 0.48 0.28 5.60 0.04 -1.61 0.22 116.94 123.02 3lwg h PHE 55 Ca 0.26 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3lwg h PHE 55 Cb 0.13 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3lwg h PHE 55 CO 0.01 0.96 -0.13 0.82 -0.60 0.00 0.00 178.31 179.38 3lwg h ILE 56 N 0.24 0.74 -0.56 -0.55 1.08 -1.36 -1.25 117.51 115.86 3lwg h ILE 56 Ca -0.03 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 3lwg h ILE 56 Cb 1.30 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 3lwg h ILE 56 CO 0.12 0.13 0.17 0.58 -0.69 0.00 0.00 178.15 178.46 3lwg h VAL 57 N -0.73 1.22 -0.57 1.67 2.07 -1.12 -2.40 116.25 116.39 3lwg h VAL 57 Ca -0.04 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3lwg h VAL 57 Cb 0.49 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3lwg h VAL 57 CO 0.06 0.29 0.34 1.23 0.02 0.00 0.00 177.57 179.50 3lwg h GLY 58 N 0.97 0.81 0.97 2.17 0.00 -0.50 0.21 103.07 107.69 3lwg h GLY 58 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3lwg h GLY 58 CO -0.01 0.20 0.22 0.00 0.00 0.00 0.00 176.54 176.95 3lwg h ALA 59 N 1.26 0.57 -0.69 3.60 0.00 -1.06 -1.25 119.26 121.68 3lwg h ALA 59 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3lwg h ALA 59 Cb 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3lwg h ALA 59 CO -0.11 0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.48 3lwg h ALA 60 N 1.07 1.09 -0.55 0.00 0.00 -1.08 -2.01 119.26 117.78 3lwg h ALA 60 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3lwg h ALA 60 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3lwg h ALA 60 CO -0.02 0.63 0.28 0.77 0.00 0.00 0.00 179.25 180.91 3lwg h SER 61 N 1.02 0.71 0.13 0.00 0.02 -0.22 -0.44 113.55 114.78 3lwg h SER 61 Ca 0.23 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3lwg h SER 61 Cb 0.28 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3lwg h SER 61 CO -0.01 0.62 -0.06 0.15 -1.14 0.00 0.00 176.83 176.39 3lwg h PHE 62 N 0.74 -0.17 -0.80 3.45 3.57 -0.96 -1.11 116.94 121.66 3lwg h PHE 62 Ca 0.19 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.80 3lwg h PHE 62 Cb 0.09 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 3lwg h PHE 62 CO -0.01 -0.09 0.43 0.00 -2.23 0.00 0.00 178.31 176.41 3lwg h ALA 63 N 0.68 1.16 -0.16 2.41 0.00 -1.09 -1.58 119.26 120.67 3lwg h ALA 63 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3lwg h ALA 63 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3lwg h ALA 63 CO 0.03 0.02 0.05 0.00 0.00 0.00 0.00 179.25 179.34 3lwg h ALA 64 N 1.48 0.21 -0.88 0.00 0.00 -0.68 -0.90 119.26 118.49 3lwg h ALA 64 Ca 0.40 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3lwg h ALA 64 Cb 0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3lwg h ALA 64 CO -0.28 -0.16 0.55 -0.07 0.00 0.00 0.00 179.25 179.28 3lwg h LEU 65 N 0.08 0.86 -0.97 0.00 3.38 -0.90 -2.58 115.31 115.19 3lwg h LEU 65 Ca 0.05 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3lwg h LEU 65 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3lwg h LEU 65 CO -0.00 0.55 -0.38 0.00 0.09 0.00 0.00 178.44 178.70 3lwg h ALA 67 N 1.39 0.89 0.24 0.00 0.00 -0.77 -3.05 119.26 117.95 3lwg h ALA 67 Ca 0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 3lwg h ALA 67 Cb 0.77 -0.28 0.04 0.00 0.00 0.00 0.00 17.79 18.32 3lwg h ALA 67 CO 0.06 0.45 -1.45 1.25 0.00 0.00 0.00 179.25 179.56 3lwg h LEU 68 N 0.96 0.83 -2.09 0.00 5.85 -1.45 -3.28 115.31 116.13 3lwg h LEU 68 Ca 0.24 -0.87 -0.54 0.00 0.84 0.00 0.00 57.88 57.55 3lwg h LEU 68 Cb 0.10 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 3lwg h LEU 68 CO -0.03 1.68 -0.92 -3.20 -0.34 0.00 0.00 178.44 175.63 3lwg n ASN 69 N -3.71 -0.21 -4.61 1.25 4.05 0.35 -4.97 115.26 107.41 3lwg n ASN 69 Ca -0.16 -1.10 -0.35 0.00 0.45 0.00 0.00 54.58 53.42 3lwg n ASN 69 Cb 1.09 -2.55 -0.10 0.00 1.23 0.00 0.00 39.78 39.45 3lwg n ASN 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3lwg s LYS 70 N -6.83 3.95 0.50 1.20 -0.14 -1.26 -4.70 119.74 112.47 3lwg s LYS 70 Ca 0.04 -0.35 -0.22 0.00 -1.36 0.00 0.00 55.97 54.07 3lwg s LYS 70 Cb -0.02 -3.27 -0.08 0.00 -1.68 0.00 0.00 37.83 32.79 3lwg s LYS 70 CO 0.93 0.19 1.07 1.63 -0.76 0.00 0.00 175.35 178.41 3lwg n LYS 71 N 3.79 1.31 -2.99 1.68 5.02 -1.26 -2.79 118.16 122.92 3lwg n LYS 71 Ca -0.16 0.48 -0.18 0.00 -2.02 0.00 0.00 58.31 56.43 3lwg n LYS 71 Cb 0.52 -2.20 0.04 0.00 -0.02 0.00 0.00 35.03 33.37 3lwg n LYS 71 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3lwg n ASN 72 N -0.18 -5.25 -4.66 4.39 3.02 -1.26 -4.69 115.26 106.63 3lwg n ASN 72 Ca 0.11 -0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.09 3lwg n ASN 72 Cb 0.43 -4.04 -0.08 0.00 -0.61 0.00 0.00 39.78 35.48 3lwg n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3lwg s SER 73 N -2.90 4.84 0.10 6.41 1.04 -1.12 -1.02 113.70 121.06 3lwg s SER 73 Ca 0.30 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 3lwg s SER 73 Cb -0.13 -1.08 -0.00 0.00 0.10 0.00 0.00 66.02 64.90 3lwg s SER 73 CO 0.37 0.15 0.20 -1.48 0.98 0.00 0.00 173.24 173.46 3lwg s LEU 74 N -2.47 1.37 0.06 2.42 0.05 -0.21 -4.98 118.68 114.91 3lwg s LEU 74 Ca 0.25 -0.71 -0.31 0.00 0.05 0.00 0.00 54.13 53.41 3lwg s LEU 74 Cb -0.11 1.03 -0.06 0.00 -2.05 0.00 0.00 46.19 45.00 3lwg s LEU 74 CO 0.18 -0.76 1.28 -0.63 -0.55 0.00 0.00 176.35 175.86 3lwg s ILE 75 N -3.89 3.82 -0.09 1.48 -1.09 -1.26 -1.14 121.20 119.03 3lwg s ILE 75 Ca 0.08 1.28 0.13 0.00 -2.23 0.00 0.00 60.65 59.91 3lwg s ILE 75 Cb 0.05 -3.82 -0.18 0.00 -1.58 0.00 0.00 42.46 36.92 3lwg s ILE 75 CO -0.09 0.08 0.15 -1.54 -1.23 0.00 0.00 174.94 172.31 3lwg n SER 76 N 4.23 1.79 -3.46 3.58 3.41 0.63 -4.92 113.62 118.87 3lwg n SER 76 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.58 3lwg n SER 76 Cb 0.45 1.14 -0.03 0.00 -0.26 0.00 0.00 64.21 65.51 3lwg n SER 76 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3lwg s SER 77 N -4.22 -0.58 0.04 4.04 0.15 -1.17 -4.99 113.70 106.98 3lwg s SER 77 Ca -0.06 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.63 3lwg s SER 77 Cb 0.06 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 64.97 3lwg s SER 77 CO 0.55 -0.81 0.46 0.00 1.20 0.00 0.00 173.24 174.64 3lwg s MET 78 N -2.81 0.96 -0.11 5.44 0.00 -1.26 -0.84 119.30 120.67 3lwg s MET 78 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 55.69 55.38 3lwg s MET 78 Cb -0.01 0.43 0.03 0.00 0.00 0.00 0.00 34.83 35.29 3lwg s MET 78 CO -0.05 -0.33 -0.03 0.15 0.00 0.00 0.00 175.02 174.76 3lwg s LYS 79 N -2.34 1.02 0.03 3.16 1.02 -0.43 -5.00 119.74 117.20 3lwg s LYS 79 Ca -0.06 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.78 3lwg s LYS 79 Cb -0.01 -1.47 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 3lwg s LYS 79 CO -0.01 -0.36 -0.07 0.14 -0.92 0.00 0.00 175.35 174.13 3lwg s VAL 80 N 1.83 0.47 -0.16 3.17 -7.23 -1.26 -0.92 120.40 116.30 3lwg s VAL 80 Ca 0.04 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3lwg s VAL 80 Cb -0.13 -0.53 0.02 0.00 0.56 0.00 0.00 36.38 36.29 3lwg s VAL 80 CO -0.07 -0.31 -0.21 0.20 -0.31 0.00 0.00 175.10 174.40 3lwg s ASN 81 N -1.33 3.12 -0.73 4.85 0.02 0.11 -4.99 114.94 115.99 3lwg s ASN 81 Ca -0.09 -0.63 -0.16 0.00 -1.02 0.00 0.00 52.86 50.97 3lwg s ASN 81 Cb -0.09 -1.46 0.17 0.00 0.02 0.00 0.00 41.25 39.89 3lwg s ASN 81 CO 0.00 0.03 0.73 -0.76 0.02 0.00 0.00 177.10 177.12 3lwg s LEU 82 N 1.09 6.21 0.33 0.60 1.02 -1.26 -1.94 118.68 124.73 3lwg s LEU 82 Ca -0.00 -2.19 0.16 0.00 0.02 0.00 0.00 54.13 52.12 3lwg s LEU 82 Cb -0.14 -2.24 0.53 0.00 0.02 0.00 0.00 46.19 44.35 3lwg s LEU 82 CO -0.08 -0.79 1.67 -0.07 0.02 0.00 0.00 176.35 177.10 3lwg h LEU 83 N 8.70 0.00 -7.63 1.79 3.38 -1.56 -3.45 115.31 116.54 3lwg h LEU 83 Ca -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3lwg h LEU 83 Cb 1.06 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.61 3lwg h LEU 83 CO 0.92 0.47 -0.38 0.00 0.09 0.00 0.00 178.44 179.54 3lwg s ALA 84 N -3.55 -0.56 0.32 1.53 0.00 -1.20 -5.02 121.76 113.29 3lwg s ALA 84 Ca -0.00 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.77 3lwg s ALA 84 Cb 0.11 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 3lwg s ALA 84 CO 0.72 -0.23 1.26 -1.25 0.00 0.00 0.00 175.76 176.25 3lwg s PRO 85 N -1.35 4.40 -0.02 0.00 0.04 -1.26 -4.98 135.00 131.83 3lwg s PRO 85 Ca -0.14 2.11 0.03 0.00 0.04 0.00 0.00 61.00 63.04 3lwg s PRO 85 Cb -0.06 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 3lwg s PRO 85 CO 0.03 -0.11 -0.09 0.42 0.04 0.00 0.00 177.00 177.29 3lwg s ILE 86 N -1.16 3.48 0.31 0.56 -1.09 -1.26 -4.99 121.20 117.05 3lwg s ILE 86 Ca 0.48 -0.74 0.08 0.00 -2.23 0.00 0.00 60.65 58.24 3lwg s ILE 86 Cb -0.38 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 3lwg s ILE 86 CO 0.50 0.47 0.16 -1.61 -1.23 0.00 0.00 174.94 173.23 3lwg s GLU 87 N -1.17 2.54 0.62 2.79 2.02 -1.26 -0.69 118.70 123.54 3lwg s GLU 87 Ca 0.15 -1.38 -0.18 0.00 0.02 0.00 0.00 54.97 53.58 3lwg s GLU 87 Cb -0.11 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 3lwg s GLU 87 CO 0.05 0.20 0.90 0.44 0.02 0.00 0.00 175.26 176.87 3lwg n ILE 88 N -1.17 3.56 0.00 -1.63 -6.64 -1.26 -2.55 119.36 109.66 3lwg n ILE 88 Ca -0.04 -0.49 0.00 0.00 -1.77 0.00 0.00 62.75 60.45 3lwg n ILE 88 Cb 0.60 -1.08 0.00 0.00 -1.44 0.00 0.00 39.64 37.72 3lwg n ILE 88 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3lwg n LYS 89 N -1.01 0.00 -2.46 6.28 5.02 -1.06 -4.94 118.16 119.99 3lwg n LYS 89 Ca 0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3lwg n LYS 89 Cb 0.48 -0.83 -0.03 0.00 -0.02 0.00 0.00 35.03 34.63 3lwg n LYS 89 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3lwg s GLN 90 N -0.18 4.37 -0.21 1.97 -0.21 -1.06 -4.84 119.66 119.50 3lwg s GLN 90 Ca 0.00 1.68 -0.27 0.00 0.02 0.00 0.00 55.36 56.79 3lwg s GLN 90 Cb 0.00 -3.52 -0.00 0.00 1.00 0.00 0.00 33.01 30.49 3lwg s GLN 90 CO 0.00 -0.41 0.92 -1.21 -2.12 0.00 0.00 175.29 172.48 3lwg s GLU 91 N 2.00 4.26 -0.16 2.91 2.02 -1.26 -3.94 118.70 124.52 3lwg s GLU 91 Ca 0.56 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.71 3lwg s GLU 91 Cb -0.25 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.37 3lwg s GLU 91 CO 0.23 -0.49 -0.16 0.42 0.02 0.00 0.00 175.26 175.28 3lwg s ILE 92 N 2.71 2.50 -0.22 -1.63 -1.09 -0.15 -4.40 121.20 118.93 3lwg s ILE 92 Ca 0.40 -0.81 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 3lwg s ILE 92 Cb -0.16 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.62 3lwg s ILE 92 CO 0.09 0.52 0.26 -0.31 -1.23 0.00 0.00 174.94 174.27 3lwg s TYR 93 N 0.99 3.35 -0.25 3.97 2.02 -0.03 -0.84 117.35 126.56 3lwg s TYR 93 Ca -0.02 0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 57.02 3lwg s TYR 93 Cb -0.15 -2.37 -0.03 0.00 -0.40 0.00 0.00 41.96 39.01 3lwg s TYR 93 CO -0.03 0.06 0.07 -0.06 -1.57 0.00 0.00 175.55 174.02 3lwg s PHE 94 N 1.08 3.10 -0.25 2.71 0.08 0.45 -0.35 117.98 124.81 3lwg s PHE 94 Ca 0.13 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 3lwg s PHE 94 Cb -0.14 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 3lwg s PHE 94 CO 0.05 -0.32 -0.02 -0.80 -0.10 0.00 0.00 175.22 174.04 3lwg s ASN 95 N 1.53 4.52 -0.10 1.36 0.01 0.56 -1.60 114.94 121.22 3lwg s ASN 95 Ca 0.06 -0.63 -0.04 0.00 -0.71 0.00 0.00 52.86 51.55 3lwg s ASN 95 Cb -0.15 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 3lwg s ASN 95 CO 0.04 -0.10 0.04 0.00 -1.51 0.00 0.00 177.10 175.57 3lwg s ALA 96 N 1.44 3.42 -0.03 0.60 0.00 0.34 -1.27 121.76 126.25 3lwg s ALA 96 Ca 0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 3lwg s ALA 96 Cb -0.16 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.36 3lwg s ALA 96 CO -0.02 0.54 0.02 0.99 0.00 0.00 0.00 175.76 177.30 3lwg s THR 97 N -0.76 0.02 0.26 0.00 2.01 -0.18 -1.42 115.64 115.57 3lwg s THR 97 Ca 0.12 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 3lwg s THR 97 Cb -0.12 -0.15 -0.11 0.00 0.01 0.00 0.00 72.50 72.13 3lwg s THR 97 CO 0.02 0.12 1.52 -0.63 -0.69 0.00 0.00 174.62 174.96 3lwg s ILE 98 N 1.15 2.41 -0.02 1.82 1.01 -0.16 -0.56 121.20 126.84 3lwg s ILE 98 Ca -0.08 0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.96 3lwg s ILE 98 Cb -0.13 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 3lwg s ILE 98 CO -0.03 0.05 0.10 0.35 0.00 0.00 0.00 174.94 175.42 3lwg n THR 99 N 2.45 0.08 -3.76 2.92 -2.24 0.03 -4.87 114.28 108.90 3lwg n THR 99 Ca 0.08 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 3lwg n THR 99 Cb 0.39 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 3lwg n THR 99 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3lwg s HIS 100 N -2.34 -0.28 -0.07 4.78 3.76 -1.06 -4.97 115.29 115.11 3lwg s HIS 100 Ca -0.02 0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 55.29 3lwg s HIS 100 Cb 0.03 0.11 0.04 0.00 1.11 0.00 0.00 32.58 33.88 3lwg s HIS 100 CO 0.24 -0.29 0.45 -0.08 -0.85 0.00 0.00 174.74 174.21 3lwg s THR 101 N -0.58 0.03 0.35 1.30 -1.32 -1.26 -1.30 115.64 112.86 3lwg s THR 101 Ca -0.07 -0.23 -0.03 0.00 -1.21 0.00 0.00 61.69 60.16 3lwg s THR 101 Cb -0.04 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 3lwg s THR 101 CO 0.02 -0.13 0.50 -0.94 -2.21 0.00 0.00 174.62 171.87 3lwg s SER 102 N -0.89 0.95 0.51 8.08 1.04 -0.07 -4.98 113.70 118.34 3lwg s SER 102 Ca -0.09 -1.50 0.33 0.00 0.48 0.00 0.00 55.95 55.17 3lwg s SER 102 Cb -0.03 0.68 1.48 0.00 0.10 0.00 0.00 66.02 68.25 3lwg s SER 102 CO 0.05 -1.34 1.99 -1.28 0.98 0.00 0.00 173.24 173.64 3lwg h SER 103 N 2.08 0.00 0.00 7.02 0.87 -2.01 -3.25 113.55 118.26 3lwg h SER 103 Ca -0.28 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.94 3lwg h SER 103 Cb 1.24 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.14 3lwg h SER 103 CO 0.39 0.00 -2.23 0.29 -0.53 0.00 0.00 176.83 174.75 3lwg n LYS 104 N -2.89 0.51 -3.77 2.24 4.76 -1.26 -4.78 118.16 112.97 3lwg n LYS 104 Ca 0.00 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 3lwg n LYS 104 Cb 0.24 -1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 3lwg n LYS 104 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3lwg s LYS 105 N -2.42 0.52 0.03 1.97 2.20 -1.23 -1.65 119.74 119.16 3lwg s LYS 105 Ca -0.30 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 3lwg s LYS 105 Cb 0.09 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 3lwg s LYS 105 CO 0.46 -0.11 -0.04 -1.12 -0.36 0.00 0.00 175.35 174.17 3lwg s SER 106 N -0.63 0.44 -0.11 1.43 0.01 -0.38 -0.89 113.70 113.58 3lwg s SER 106 Ca -0.07 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.65 3lwg s SER 106 Cb -0.04 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 3lwg s SER 106 CO 0.02 -0.29 -0.13 -0.89 0.41 0.00 0.00 173.24 172.36 3lwg s THR 107 N -1.60 3.07 -0.10 1.44 2.01 -0.42 -0.90 115.64 119.13 3lwg s THR 107 Ca -0.13 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3lwg s THR 107 Cb -0.09 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.17 3lwg s THR 107 CO -0.01 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.68 3lwg s ILE 108 N 0.02 1.47 -0.04 1.82 1.09 0.28 -0.79 121.20 125.05 3lwg s ILE 108 Ca -0.04 -0.63 -0.15 0.00 -1.10 0.00 0.00 60.65 58.73 3lwg s ILE 108 Cb -0.14 -1.34 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 3lwg s ILE 108 CO 0.04 0.43 0.39 -0.60 -0.10 0.00 0.00 174.94 175.11 3lwg s ARG 109 N 0.95 3.99 -0.07 2.79 6.06 0.27 -0.87 118.95 132.09 3lwg s ARG 109 Ca -0.07 0.36 0.02 0.00 -2.50 0.00 0.00 55.73 53.54 3lwg s ARG 109 Cb -0.15 -3.27 0.01 0.00 0.06 0.00 0.00 34.95 31.60 3lwg s ARG 109 CO -0.01 0.57 -0.12 0.08 -2.50 0.00 0.00 175.30 173.32 3lwg s VAL 110 N -0.66 1.12 -0.07 7.11 1.01 0.49 -1.01 120.40 128.38 3lwg s VAL 110 Ca 0.23 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3lwg s VAL 110 Cb -0.16 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3lwg s VAL 110 CO 0.12 0.35 -0.15 -1.61 0.00 0.00 0.00 175.10 173.81 3lwg s GLU 111 N 0.70 2.77 -0.15 2.72 2.02 -0.40 -0.96 118.70 125.41 3lwg s GLU 111 Ca -0.14 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 3lwg s GLU 111 Cb -0.16 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 3lwg s GLU 111 CO 0.03 0.47 -0.07 0.20 0.02 0.00 0.00 175.26 175.91 3lwg s GLY 112 N -0.34 1.65 -0.04 -1.39 0.00 0.16 -0.32 107.32 107.03 3lwg s GLY 112 Ca 0.03 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.94 3lwg s GLY 112 CO 0.02 -0.08 -0.23 -0.54 0.00 0.00 0.00 173.10 172.28 3lwg s GLU 113 N 0.44 2.19 -0.29 2.90 2.02 0.53 -0.15 118.70 126.34 3lwg s GLU 113 Ca -0.06 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.06 3lwg s GLU 113 Cb -0.15 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.17 3lwg s GLU 113 CO 0.04 0.39 0.03 0.12 0.02 0.00 0.00 175.26 175.86 3lwg s PHE 114 N -0.24 3.15 -1.54 1.61 5.36 -0.04 -0.85 117.98 125.43 3lwg s PHE 114 Ca 0.00 -1.30 -0.12 0.00 -0.96 0.00 0.00 56.93 54.55 3lwg s PHE 114 Cb -0.12 -2.18 0.09 0.00 -0.34 0.00 0.00 43.02 40.47 3lwg s PHE 114 CO 0.02 -0.66 0.86 -1.33 -1.46 0.00 0.00 175.22 172.65 3lwg n MET 115 N 4.77 -4.76 -0.96 10.12 2.81 -1.26 -0.63 117.12 127.21 3lwg n MET 115 Ca -0.15 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 3lwg n MET 115 Cb 0.47 -5.29 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 3lwg n MET 115 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3lwg n GLU 116 N -4.55 -0.23 -3.84 0.03 1.02 -1.26 -5.01 120.64 106.80 3lwg n GLU 116 Ca -0.02 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 56.83 3lwg n GLU 116 Cb 0.55 -3.18 -0.10 0.00 -0.02 0.00 0.00 31.44 28.69 3lwg n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3lwg s ILE 117 N -2.47 4.98 0.00 -3.67 1.01 0.19 -5.04 121.20 116.19 3lwg s ILE 117 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 3lwg s ILE 117 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 3lwg s ILE 117 CO 0.00 0.41 1.56 -0.75 0.00 0.00 0.00 174.94 176.16 3lwg s LYS 118 N 0.73 4.22 0.00 2.79 2.20 -1.26 -0.86 119.74 127.56 3lwg s LYS 118 Ca 0.05 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 3lwg s LYS 118 Cb -0.13 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 3lwg s LYS 118 CO 0.02 -0.72 0.49 1.33 -0.36 0.00 0.00 175.35 176.11 3lwg n VAL 119 N 4.97 0.02 -3.67 4.02 0.24 0.78 -4.92 118.33 119.78 3lwg n VAL 119 Ca 0.15 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 3lwg n VAL 119 Cb 0.42 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.74 3lwg n VAL 119 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3lwg s PHE 120 N -0.02 -0.70 -0.05 6.34 5.36 -0.98 -1.28 117.98 126.66 3lwg s PHE 120 Ca 0.00 1.66 -0.08 0.00 -0.96 0.00 0.00 56.93 57.55 3lwg s PHE 120 Cb 0.00 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 3lwg s PHE 120 CO 0.00 -0.34 0.19 -1.83 -1.46 0.00 0.00 175.22 171.78 3lwg s GLU 121 N 0.45 0.35 -0.10 10.12 -1.05 -0.82 -0.67 118.70 126.98 3lwg s GLU 121 Ca -0.01 0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.54 3lwg s GLU 121 Cb -0.04 0.16 0.09 0.00 -0.44 0.00 0.00 34.13 33.89 3lwg s GLU 121 CO -0.01 -0.07 0.79 0.20 0.95 0.00 0.00 175.26 177.12 3lwg s GLY 122 N -0.47 -0.47 -0.15 -3.83 0.00 -0.13 0.08 107.32 102.35 3lwg s GLY 122 Ca -0.06 1.61 -0.04 0.00 0.00 0.00 0.00 44.72 46.23 3lwg s GLY 122 CO 0.01 1.04 -0.01 0.99 0.00 0.00 0.00 173.10 175.13 3lwg s ASP 123 N -1.06 5.04 -0.08 1.64 1.01 -0.09 -0.38 116.67 122.74 3lwg s ASP 123 Ca -0.07 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.16 3lwg s ASP 123 Cb -0.00 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.11 3lwg s ASP 123 CO 0.07 0.19 -0.15 -0.36 0.21 0.00 0.00 175.17 175.13 3lwg s PHE 124 N 0.23 2.72 -0.14 4.23 0.08 -0.04 -1.32 117.98 123.74 3lwg s PHE 124 Ca -0.01 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.58 3lwg s PHE 124 Cb -0.13 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.57 3lwg s PHE 124 CO 0.02 -0.00 0.09 -1.21 -0.10 0.00 0.00 175.22 174.02 3lwg s GLU 125 N -0.27 3.57 -0.04 0.44 2.02 -0.02 -0.56 118.70 123.85 3lwg s GLU 125 Ca 0.02 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.79 3lwg s GLU 125 Cb -0.13 -3.14 -0.00 0.00 0.10 0.00 0.00 34.13 30.95 3lwg s GLU 125 CO 0.03 0.58 -0.15 0.42 0.02 0.00 0.00 175.26 176.16 3lwg s ILE 126 N -0.48 1.24 0.07 -1.63 1.01 -0.08 -0.27 121.20 121.05 3lwg s ILE 126 Ca 0.11 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3lwg s ILE 126 Cb -0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3lwg s ILE 126 CO 0.02 0.36 -0.09 -0.76 0.00 0.00 0.00 174.94 174.47 3lwg s LEU 127 N 0.08 3.07 -0.13 2.97 1.43 -0.29 -1.25 118.68 124.55 3lwg s LEU 127 Ca -0.03 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3lwg s LEU 127 Cb -0.11 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3lwg s LEU 127 CO 0.02 0.22 -0.16 -0.69 0.23 0.00 0.00 176.35 175.96 3lwg s VAL 128 N -1.13 2.67 0.24 -1.59 1.01 -0.66 -1.05 120.40 119.89 3lwg s VAL 128 Ca 0.20 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.48 3lwg s VAL 128 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3lwg s VAL 128 CO 0.11 0.53 0.02 -0.36 0.00 0.00 0.00 175.10 175.40 3lwg s PHE 129 N 0.52 2.77 -0.06 5.22 0.40 -0.19 -4.86 117.98 121.78 3lwg s PHE 129 Ca -0.11 -0.19 0.14 0.00 -0.60 0.00 0.00 56.93 56.17 3lwg s PHE 129 Cb -0.16 -1.26 -0.18 0.00 0.51 0.00 0.00 43.02 41.93 3lwg s PHE 129 CO 0.04 0.58 0.80 1.05 0.70 0.00 0.00 175.22 178.39 3lwg h GLU 130 N 2.05 0.00 -6.52 0.44 4.11 -1.96 -3.45 114.58 109.25 3lwg h GLU 130 Ca -0.45 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.31 3lwg h GLU 130 Cb 1.24 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.32 3lwg h GLU 130 CO 0.60 0.46 -0.75 0.15 0.07 0.00 0.00 179.01 179.54 3lwg s LYS 131 N -2.73 2.18 0.09 1.06 1.02 -1.26 -5.13 119.74 114.97 3lwg s LYS 131 Ca -0.03 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.05 3lwg s LYS 131 Cb 0.08 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 3lwg s LYS 131 CO 0.82 0.53 -0.16 1.03 -0.92 0.00 0.00 175.35 176.65 3lwg s ARG 132 N -1.94 0.92 0.86 1.68 1.81 -1.26 -4.25 118.95 116.76 3lwg s ARG 132 Ca 0.19 -1.04 -0.10 0.00 -1.72 0.00 0.00 55.73 53.05 3lwg s ARG 132 Cb -0.11 -0.96 0.11 0.00 -0.45 0.00 0.00 34.95 33.54 3lwg s ARG 132 CO 0.11 0.21 1.11 -1.25 -0.68 0.00 0.00 175.30 174.80 3lwg s PRO 133 N -1.92 1.54 0.43 3.54 0.04 -1.26 -4.98 135.00 132.40 3lwg s PRO 133 Ca 0.02 1.29 0.15 0.00 0.04 0.00 0.00 61.00 62.49 3lwg s PRO 133 Cb -0.09 -1.81 1.05 0.00 0.04 0.00 0.00 34.50 33.69 3lwg s PRO 133 CO 0.03 -2.18 1.95 0.74 0.04 0.00 0.00 177.00 177.58 3lwg h PHE 134 N -1.53 0.45 0.00 0.56 0.04 -2.02 -1.50 116.94 112.94 3lwg h PHE 134 Ca -0.44 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.34 3lwg h PHE 134 Cb 1.25 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.26 3lwg h PHE 134 CO 0.52 0.19 -0.01 1.57 -0.60 0.00 0.00 178.31 179.99 3lwg h LYS 135 N 0.40 0.00 0.00 1.51 2.10 -1.95 -1.58 116.57 117.04 3lwg h LYS 135 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3lwg h LYS 135 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 3lwg h LYS 135 CO -0.09 0.01 0.00 0.74 -2.00 0.00 0.00 179.45 178.10 3lwg h PHE 136 N 0.00 0.00 -0.01 0.07 0.05 -1.60 -2.00 116.94 113.46 3lwg h PHE 136 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3lwg h PHE 136 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.98 3lwg h PHE 136 CO 0.00 0.00 -0.16 0.09 -0.18 0.00 0.00 178.31 178.06 3lwg n ASN 137 N -2.59 0.93 0.00 2.17 4.13 -0.59 -5.04 115.26 114.26 3lwg n ASN 137 Ca -0.00 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.34 3lwg n ASN 137 Cb 0.16 0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 3lwg n ASN 137 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03