#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cw2 s SER 3 N 0.00 -0.16 0.00 -3.46 1.04 -1.26 -5.08 113.70 104.78 3cw2 s SER 3 Ca 0.00 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3cw2 s SER 3 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3cw2 s SER 3 CO 0.00 -0.41 0.00 1.21 0.98 0.00 0.00 173.24 175.02 3cw2 n GLU 4 N 1.41 0.00 0.22 4.02 4.07 -1.26 -4.70 120.64 124.40 3cw2 n GLU 4 Ca -0.21 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.00 3cw2 n GLU 4 Cb 0.56 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 32.20 3cw2 n GLU 4 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3cw2 h LYS 5 N 0.00 0.00 -0.18 5.31 3.64 -2.07 -3.11 116.57 120.17 3cw2 h LYS 5 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cw2 h LYS 5 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3cw2 h LYS 5 CO 0.00 0.08 0.00 -0.85 -2.27 0.00 0.00 179.45 176.41 3cw2 n GLU 6 N -3.13 0.80 0.00 1.90 0.28 -1.26 -3.66 120.64 115.57 3cw2 n GLU 6 Ca 0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.09 3cw2 n GLU 6 Cb 0.51 -1.09 0.36 0.00 1.43 0.00 0.00 31.44 32.65 3cw2 n GLU 6 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 3cw2 n TYR 7 N -0.37 0.00 -0.27 -1.84 0.18 -1.18 -3.53 117.16 110.16 3cw2 n TYR 7 Ca 0.00 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.76 3cw2 n TYR 7 Cb 0.04 0.00 0.15 0.00 -0.38 0.00 0.00 39.34 39.16 3cw2 n TYR 7 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3cw2 h VAL 8 N 0.00 1.24 0.00 -3.48 2.07 -1.87 -1.91 116.25 112.29 3cw2 h VAL 8 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3cw2 h VAL 8 Cb 0.00 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3cw2 h VAL 8 CO 0.00 0.26 0.00 -1.84 0.02 0.00 0.00 177.57 176.01 3cw2 n GLU 9 N -4.35 0.19 0.01 1.57 -0.00 -1.23 0.51 120.64 117.34 3cw2 n GLU 9 Ca 0.08 0.42 -0.09 0.00 -0.00 0.00 0.00 57.16 57.57 3cw2 n GLU 9 Cb 0.10 -1.86 -0.14 0.00 -0.00 0.00 0.00 31.44 29.55 3cw2 n GLU 9 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 3cw2 h MET 10 N 0.00 0.03 0.00 3.44 4.05 -1.63 -3.08 114.93 117.74 3cw2 h MET 10 Ca 0.00 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.24 3cw2 h MET 10 Cb 0.35 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3cw2 h MET 10 CO 0.00 0.69 -0.58 1.25 0.23 0.00 0.00 176.91 178.50 3cw2 h LEU 11 N 0.01 0.00 -1.00 3.39 5.85 -0.46 -2.52 115.31 120.58 3cw2 h LEU 11 Ca -0.23 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 3cw2 h LEU 11 Cb 1.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 3cw2 h LEU 11 CO 0.10 0.58 -0.44 0.44 -0.34 0.00 0.00 178.44 178.78 3cw2 h ASP 12 N 0.00 0.00 0.18 1.25 3.32 -0.02 -1.98 116.42 119.16 3cw2 h ASP 12 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3cw2 h ASP 12 Cb 1.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3cw2 h ASP 12 CO 0.08 0.44 -0.09 -0.09 -1.72 0.00 0.00 179.24 177.85 3cw2 h ARG 13 N 0.00 0.00 0.15 3.56 2.43 -1.36 0.88 114.38 120.04 3cw2 h ARG 13 Ca -0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3cw2 h ARG 13 Cb 0.88 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3cw2 h ARG 13 CO 0.06 0.09 -0.99 1.25 -1.51 0.00 0.00 179.97 178.86 3cw2 h LEU 14 N 0.00 0.49 -0.14 3.80 5.85 -1.31 -2.10 115.31 121.89 3cw2 h LEU 14 Ca -0.00 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.79 3cw2 h LEU 14 Cb 0.20 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3cw2 h LEU 14 CO 0.01 1.47 0.00 -1.22 -0.34 0.00 0.00 178.44 178.36 3cw2 n TYR 15 N -4.05 0.03 -0.04 1.25 4.02 -0.94 -0.35 117.16 117.08 3cw2 n TYR 15 Ca -0.16 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.90 57.70 3cw2 n TYR 15 Cb 0.86 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.09 3cw2 n TYR 15 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3cw2 n SER 16 N -0.65 2.08 -0.58 7.72 3.41 0.28 -4.17 113.62 121.70 3cw2 n SER 16 Ca 0.14 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 3cw2 n SER 16 Cb 0.10 1.08 0.39 0.00 -0.26 0.00 0.00 64.21 65.52 3cw2 n SER 16 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3cw2 n LYS 17 N -2.26 1.75 0.13 4.33 3.00 -0.79 -3.95 118.16 120.38 3cw2 n LYS 17 Ca -0.13 -1.17 -0.24 0.00 -0.00 0.00 0.00 58.31 56.77 3cw2 n LYS 17 Cb 0.69 -1.48 -0.15 0.00 0.00 0.00 0.00 35.03 34.09 3cw2 n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3cw2 h LEU 18 N 2.86 0.85 0.00 3.14 5.85 -0.85 -2.87 115.31 124.30 3cw2 h LEU 18 Ca 0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 3cw2 h LEU 18 Cb 0.63 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3cw2 h LEU 18 CO 0.00 1.68 0.00 -2.65 -0.34 0.00 0.00 178.44 177.13 3cw2 n PRO 19 N -3.74 0.41 0.00 5.25 -0.02 -1.25 -0.57 135.00 135.09 3cw2 n PRO 19 Ca -0.16 0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3cw2 n PRO 19 Cb 1.07 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 33.64 3cw2 n PRO 19 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3cw2 n GLU 20 N -1.16 1.38 -2.72 -0.52 4.07 -1.09 -4.03 120.64 116.58 3cw2 n GLU 20 Ca 0.11 -0.69 -0.03 0.00 -0.06 0.00 0.00 57.16 56.49 3cw2 n GLU 20 Cb 0.11 -1.49 0.09 0.00 -0.06 0.00 0.00 31.44 30.10 3cw2 n GLU 20 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3cw2 n LYS 21 N -0.20 1.41 0.00 5.31 2.85 0.27 -5.05 118.16 122.74 3cw2 n LYS 21 Ca 0.19 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.20 3cw2 n LYS 21 Cb 0.31 -0.46 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 3cw2 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3cw2 n GLY 22 N -0.91 -1.03 3.13 2.58 0.00 -0.53 -4.61 105.19 103.82 3cw2 n GLY 22 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3cw2 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cw2 s ARG 23 N -0.40 3.09 0.00 1.61 0.52 -1.26 -4.85 118.95 117.65 3cw2 s ARG 23 Ca 0.00 -2.94 0.00 0.00 -0.52 0.00 0.00 55.73 52.27 3cw2 s ARG 23 Cb 0.00 -3.94 0.00 0.00 0.52 0.00 0.00 34.95 31.53 3cw2 s ARG 23 CO 0.00 -1.23 0.00 1.63 0.02 0.00 0.00 175.30 175.72 3cw2 n LYS 24 N 2.90 0.00 -1.93 3.54 4.76 -1.26 -4.98 118.16 121.18 3cw2 n LYS 24 Ca 0.16 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.20 3cw2 n LYS 24 Cb 0.38 -0.02 -0.03 0.00 -1.84 0.00 0.00 35.03 33.53 3cw2 n LYS 24 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3cw2 s GLU 25 N -0.37 2.88 0.00 1.97 2.02 -1.26 -4.76 118.70 119.18 3cw2 s GLU 25 Ca 0.00 1.14 0.00 0.00 0.02 0.00 0.00 54.97 56.13 3cw2 s GLU 25 Cb 0.00 -4.33 0.00 0.00 0.10 0.00 0.00 34.13 29.90 3cw2 s GLU 25 CO 0.00 -2.41 0.00 0.41 0.02 0.00 0.00 175.26 173.28 3cw2 n GLY 26 N 5.63 -0.50 3.38 -1.39 0.00 -1.26 -5.09 105.19 105.97 3cw2 n GLY 26 Ca 0.24 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3cw2 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cw2 s THR 27 N -3.00 2.93 0.00 2.61 2.01 -1.26 -5.11 115.64 113.82 3cw2 s THR 27 Ca 0.00 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3cw2 s THR 27 Cb 0.00 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.32 3cw2 s THR 27 CO 0.00 0.55 0.00 0.00 -0.69 0.00 0.00 174.62 174.48 3cw2 n GLN 28 N 3.14 2.04 -1.17 4.92 6.02 -1.26 -4.92 117.38 126.15 3cw2 n GLN 28 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.75 3cw2 n GLN 28 Cb 0.53 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.74 3cw2 n GLN 28 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3cw2 n SER 29 N 0.00 -0.75 -0.40 1.08 7.64 -1.26 -4.23 113.62 115.71 3cw2 n SER 29 Ca 0.00 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.14 3cw2 n SER 29 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3cw2 n SER 29 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3cw2 n LEU 30 N 9.70 -1.15 0.00 -3.43 7.94 -1.26 -5.08 117.00 123.72 3cw2 n LEU 30 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 3cw2 n LEU 30 Cb 0.47 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.85 3cw2 n LEU 30 CO 0.54 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 174.17 3cw2 n PRO 31 N 1.28 0.00 -2.46 1.96 -0.02 -1.26 -4.94 135.00 129.55 3cw2 n PRO 31 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.06 3cw2 n PRO 31 Cb 0.00 -0.10 -0.02 0.00 -0.02 0.00 0.00 33.50 33.36 3cw2 n PRO 31 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3cw2 s ASN 32 N -1.23 6.99 -0.13 2.55 0.02 -1.26 -4.89 114.94 116.99 3cw2 s ASN 32 Ca 0.00 1.67 0.16 0.00 -1.02 0.00 0.00 52.86 53.67 3cw2 s ASN 32 Cb 0.00 -2.54 0.60 0.00 0.02 0.00 0.00 41.25 39.33 3cw2 s ASN 32 CO 0.00 -0.71 1.52 0.23 0.02 0.00 0.00 177.10 178.16 3cw2 n MET 33 N 6.30 3.50 -2.82 -0.60 2.81 -1.26 -4.97 117.12 120.08 3cw2 n MET 33 Ca 0.13 -2.76 -0.41 0.00 -1.81 0.00 0.00 57.70 52.85 3cw2 n MET 33 Cb 0.45 -1.82 -0.04 0.00 -0.71 0.00 0.00 33.22 31.11 3cw2 n MET 33 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3cw2 s ILE 34 N -2.10 4.81 0.40 2.02 1.01 -1.26 -4.51 121.20 121.57 3cw2 s ILE 34 Ca 0.44 1.87 0.08 0.00 0.00 0.00 0.00 60.65 63.04 3cw2 s ILE 34 Cb 0.31 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 3cw2 s ILE 34 CO 0.17 0.24 0.38 -0.63 0.00 0.00 0.00 174.94 175.10 3cw2 s ILE 35 N 0.59 2.84 -0.75 2.92 1.01 -1.26 -4.84 121.20 121.71 3cw2 s ILE 35 Ca 0.46 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 3cw2 s ILE 35 Cb -0.21 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.28 3cw2 s ILE 35 CO 0.26 -0.03 1.20 -0.22 0.00 0.00 0.00 174.94 176.15 3cw2 s LEU 36 N -4.12 3.58 -0.06 2.97 1.98 -1.26 -4.90 118.68 116.86 3cw2 s LEU 36 Ca 0.47 -0.73 0.02 0.00 -2.89 0.00 0.00 54.13 51.01 3cw2 s LEU 36 Cb -0.04 -2.52 0.01 0.00 0.66 0.00 0.00 46.19 44.31 3cw2 s LEU 36 CO 0.28 -1.68 -0.12 0.20 -1.89 0.00 0.00 176.35 173.14 3cw2 s ASN 37 N 3.82 1.71 -0.44 3.68 -0.87 -1.26 -5.07 114.94 116.50 3cw2 s ASN 37 Ca 0.32 -0.28 0.06 0.00 -1.57 0.00 0.00 52.86 51.39 3cw2 s ASN 37 Cb -0.10 -0.79 0.21 0.00 -0.02 0.00 0.00 41.25 40.55 3cw2 s ASN 37 CO 0.11 0.03 0.45 -0.38 -2.57 0.00 0.00 177.10 174.74 3cw2 n ILE 38 N 3.82 -0.55 0.00 0.60 5.41 -1.26 -4.63 119.36 122.75 3cw2 n ILE 38 Ca -0.23 -3.89 0.00 0.00 1.00 0.00 0.00 62.75 59.63 3cw2 n ILE 38 Cb 0.52 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 3cw2 n ILE 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cw2 n GLY 39 N 2.08 0.49 0.17 7.39 0.00 -1.26 -4.96 105.19 109.10 3cw2 n GLY 39 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 3cw2 n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3cw2 h ASN 40 N 0.00 -0.27 0.00 1.61 -0.00 -1.97 -3.46 115.58 111.49 3cw2 h ASN 40 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 56.05 3cw2 h ASN 40 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.39 3cw2 h ASN 40 CO 0.00 0.18 0.00 0.41 -0.00 0.00 0.00 177.43 178.02 3cw2 n THR 41 N -5.03 0.00 0.00 -3.57 -1.04 -1.26 -4.99 114.28 98.38 3cw2 n THR 41 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3cw2 n THR 41 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 3cw2 n THR 41 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3cw2 n THR 42 N 0.00 0.00 -3.84 12.58 5.66 -1.26 -4.14 114.28 123.28 3cw2 n THR 42 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 3cw2 n THR 42 Cb 0.00 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 3cw2 n THR 42 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3cw2 s ILE 43 N -0.55 0.12 0.09 1.09 1.01 -1.26 -4.75 121.20 116.95 3cw2 s ILE 43 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3cw2 s ILE 43 Cb 0.00 -0.26 -0.06 0.00 0.01 0.00 0.00 42.46 42.15 3cw2 s ILE 43 CO 0.00 0.16 1.13 -0.63 0.00 0.00 0.00 174.94 175.60 3cw2 s ILE 44 N 1.37 4.11 -0.52 2.92 1.01 -1.26 -4.85 121.20 123.98 3cw2 s ILE 44 Ca -0.05 1.61 0.26 0.00 0.00 0.00 0.00 60.65 62.47 3cw2 s ILE 44 Cb -0.13 -4.03 0.29 0.00 0.01 0.00 0.00 42.46 38.60 3cw2 s ILE 44 CO -0.03 0.18 1.76 0.03 0.00 0.00 0.00 174.94 176.88 3cw2 h ARG 45 N 6.19 0.00 -2.69 2.79 3.08 -1.89 -2.06 114.38 119.80 3cw2 h ARG 45 Ca -0.42 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.02 3cw2 h ARG 45 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.87 3cw2 h ARG 45 CO 0.77 0.00 -0.80 1.21 -1.07 0.00 0.00 179.97 180.08 3cw2 s ASN 46 N -4.70 2.95 0.00 7.04 3.04 -1.26 -4.78 114.94 117.23 3cw2 s ASN 46 Ca 0.07 -3.41 0.00 0.00 0.04 0.00 0.00 52.86 49.56 3cw2 s ASN 46 Cb 0.10 -0.97 0.00 0.00 -1.54 0.00 0.00 41.25 38.84 3cw2 s ASN 46 CO 0.52 -0.13 0.00 0.33 -3.04 0.00 0.00 177.10 174.78 3cw2 n PHE 47 N 2.47 0.00 -1.22 0.43 7.35 -1.26 -4.72 117.46 120.51 3cw2 n PHE 47 Ca 0.25 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.65 3cw2 n PHE 47 Cb 0.42 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.36 3cw2 n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cw2 n ALA 48 N -0.95 5.95 0.00 3.13 0.00 -1.26 -3.56 120.51 123.82 3cw2 n ALA 48 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.35 3cw2 n ALA 48 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3cw2 n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cw2 n GLU 49 N -0.87 0.41 0.06 0.00 1.02 -1.26 -4.76 120.64 115.24 3cw2 n GLU 49 Ca 0.58 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.86 3cw2 n GLU 49 Cb 0.97 -0.44 0.50 0.00 -0.02 0.00 0.00 31.44 32.45 3cw2 n GLU 49 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3cw2 n TYR 50 N -0.46 0.52 -0.10 -0.32 9.36 -1.26 -2.61 117.16 122.30 3cw2 n TYR 50 Ca 0.00 0.15 -0.10 0.00 3.32 0.00 0.00 57.90 61.27 3cw2 n TYR 50 Cb 0.00 -0.75 -0.03 0.00 -0.63 0.00 0.00 39.34 37.93 3cw2 n TYR 50 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cw2 n ASP 52 N -4.68 0.53 -1.06 0.00 10.43 -1.23 -3.30 116.55 117.25 3cw2 n ASP 52 Ca -0.02 -0.10 0.02 0.00 2.57 0.00 0.00 54.79 57.25 3cw2 n ASP 52 Cb 0.18 0.21 0.15 0.00 1.84 0.00 0.00 41.12 43.50 3cw2 n ASP 52 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3cw2 n ARG 53 N -1.69 2.43 0.02 -1.24 0.63 -1.07 -3.71 116.66 112.03 3cw2 n ARG 53 Ca 0.05 -1.19 0.00 0.00 -0.92 0.00 0.00 57.85 55.78 3cw2 n ARG 53 Cb 0.37 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.50 3cw2 n ARG 53 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3cw2 n ILE 54 N 0.22 0.32 0.00 5.15 -5.35 -1.14 -4.97 119.36 113.58 3cw2 n ILE 54 Ca 0.11 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 3cw2 n ILE 54 Cb 0.63 -1.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.12 3cw2 n ILE 54 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3cw2 n ARG 55 N -3.10 0.00 0.00 6.28 3.00 -1.21 -5.01 116.66 116.62 3cw2 n ARG 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3cw2 n ARG 55 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 3cw2 n ARG 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3cw2 n ARG 56 N 0.00 1.82 -0.05 -0.14 0.63 -1.25 -4.64 116.66 113.03 3cw2 n ARG 56 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3cw2 n ARG 56 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 3cw2 n ARG 56 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3cw2 h GLU 57 N 0.00 0.29 -5.84 -0.14 4.57 -2.01 -3.34 114.58 108.11 3cw2 h GLU 57 Ca 0.00 -0.09 -0.39 0.00 -1.18 0.00 0.00 59.36 57.70 3cw2 h GLU 57 Cb 0.00 -0.03 0.13 0.00 -0.16 0.00 0.00 28.75 28.70 3cw2 h GLU 57 CO 0.00 0.50 -0.71 -0.25 -1.18 0.00 0.00 179.01 177.37 3cw2 n ASP 58 N -4.74 -4.99 0.04 1.04 8.00 -1.26 -4.89 116.55 109.75 3cw2 n ASP 58 Ca -0.05 -0.59 -0.14 0.00 0.71 0.00 0.00 54.79 54.72 3cw2 n ASP 58 Cb 0.21 -4.95 -0.03 0.00 -0.02 0.00 0.00 41.12 36.34 3cw2 n ASP 58 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3cw2 h LYS 59 N -2.43 0.53 -1.54 -1.24 1.57 -1.98 0.66 116.57 112.14 3cw2 h LYS 59 Ca -0.58 -0.49 -0.38 0.00 -1.87 0.00 0.00 60.65 57.33 3cw2 h LYS 59 Cb 1.36 0.12 -0.16 0.00 0.08 0.00 0.00 32.23 33.63 3cw2 h LYS 59 CO 0.55 1.12 0.46 -0.89 -0.57 0.00 0.00 179.45 180.12 3cw2 n ILE 60 N -3.84 2.93 0.00 1.86 5.41 -1.26 -1.73 119.36 122.74 3cw2 n ILE 60 Ca -0.06 -1.96 0.00 0.00 1.00 0.00 0.00 62.75 61.73 3cw2 n ILE 60 Cb 0.77 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 3cw2 n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cw2 h MET 62 N 0.00 -0.73 -0.01 0.00 2.86 -1.08 -1.64 114.93 114.33 3cw2 h MET 62 Ca 0.00 0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 3cw2 h MET 62 Cb 0.00 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3cw2 h MET 62 CO 0.00 -0.49 -0.77 -0.22 1.06 0.00 0.00 176.91 176.49 3cw2 h LYS 63 N -0.78 0.13 0.14 1.72 3.11 -1.68 -2.66 116.57 116.55 3cw2 h LYS 63 Ca -0.08 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 3cw2 h LYS 63 Cb 0.58 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 3cw2 h LYS 63 CO 0.13 0.83 -0.07 -0.92 -2.81 0.00 0.00 179.45 176.61 3cw2 h TYR 64 N 0.08 -0.17 -0.00 1.91 3.20 -1.39 -3.26 116.97 117.34 3cw2 h TYR 64 Ca -0.02 -0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.59 3cw2 h TYR 64 Cb 1.35 0.06 0.02 0.00 1.54 0.00 0.00 36.73 39.69 3cw2 h TYR 64 CO 0.02 -0.03 -1.01 -0.07 -1.64 0.00 0.00 178.16 175.43 3cw2 h LEU 65 N -0.28 0.80 -7.80 2.82 3.38 -1.37 -3.39 115.31 109.47 3cw2 h LEU 65 Ca -0.02 -0.64 -0.72 0.00 0.09 0.00 0.00 57.88 56.60 3cw2 h LEU 65 Cb 0.22 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 40.57 3cw2 h LEU 65 CO 0.03 1.44 1.33 -0.76 0.09 0.00 0.00 178.44 180.57 3cw2 s LEU 66 N -8.00 4.89 -0.29 1.67 1.43 -1.00 -4.89 118.68 112.49 3cw2 s LEU 66 Ca -0.09 -2.70 -0.17 0.00 -1.03 0.00 0.00 54.13 50.15 3cw2 s LEU 66 Cb 0.08 -2.42 0.17 0.00 0.03 0.00 0.00 46.19 44.04 3cw2 s LEU 66 CO 0.90 -0.87 1.10 -1.59 0.23 0.00 0.00 176.35 176.12 3cw2 s LYS 67 N 2.16 0.24 -0.06 1.70 -2.85 -1.26 -4.77 119.74 114.91 3cw2 s LYS 67 Ca 0.42 0.42 -0.06 0.00 -1.00 0.00 0.00 55.97 55.75 3cw2 s LYS 67 Cb -0.02 0.05 -0.02 0.00 -2.06 0.00 0.00 37.83 35.78 3cw2 s LYS 67 CO -0.01 -0.05 -0.11 0.39 0.10 0.00 0.00 175.35 175.67 3cw2 n GLU 68 N 3.36 0.18 0.00 1.78 4.71 -1.26 -5.00 120.64 124.42 3cw2 n GLU 68 Ca -0.18 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 3cw2 n GLU 68 Cb 0.57 -0.92 0.00 0.00 -1.01 0.00 0.00 31.44 30.08 3cw2 n GLU 68 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3cw2 n LEU 69 N -3.18 0.00 -4.09 -4.62 7.94 -1.26 -4.96 117.00 106.83 3cw2 n LEU 69 Ca -0.04 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.50 3cw2 n LEU 69 Cb 0.16 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.04 3cw2 n LEU 69 CO 0.07 0.00 0.28 0.00 -1.11 0.00 0.00 177.39 176.62 3cw2 s ALA 70 N -2.00 4.14 -0.40 1.96 0.00 -1.26 -5.06 121.76 119.13 3cw2 s ALA 70 Ca 0.00 -3.78 -0.17 0.00 0.00 0.00 0.00 51.96 48.02 3cw2 s ALA 70 Cb 0.00 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.38 3cw2 s ALA 70 CO 0.00 -2.14 0.42 0.00 0.00 0.00 0.00 175.76 174.04 3cw2 s ALA 71 N -1.21 3.44 0.46 0.00 0.00 -1.26 -4.76 121.76 118.43 3cw2 s ALA 71 Ca 0.26 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 3cw2 s ALA 71 Cb -0.08 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 3cw2 s ALA 71 CO -0.12 -1.47 0.86 -2.14 0.00 0.00 0.00 175.76 172.89 3cw2 s PRO 72 N 2.10 3.80 0.00 0.00 0.02 -1.23 -4.98 135.00 134.70 3cw2 s PRO 72 Ca 0.12 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.76 3cw2 s PRO 72 Cb -0.17 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3cw2 s PRO 72 CO 0.13 -0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3cw2 n GLY 73 N -1.59 -0.83 0.00 0.52 0.00 -1.26 -3.10 105.19 98.93 3cw2 n GLY 73 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3cw2 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cw2 n ASN 74 N -0.16 0.00 -3.86 1.61 6.94 -1.26 -3.21 115.26 115.33 3cw2 n ASN 74 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.26 3cw2 n ASN 74 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 3cw2 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3cw2 s VAL 75 N 4.73 2.17 -0.20 3.53 1.01 -1.26 -4.10 120.40 126.29 3cw2 s VAL 75 Ca 0.00 -3.12 0.11 0.00 0.00 0.00 0.00 61.98 58.97 3cw2 s VAL 75 Cb 0.00 -2.50 -0.20 0.00 0.00 0.00 0.00 36.38 33.68 3cw2 s VAL 75 CO 0.00 -0.86 -0.03 0.47 0.00 0.00 0.00 175.10 174.69 3cw2 n ASP 76 N 3.16 1.10 0.00 3.32 9.92 -1.26 -4.93 116.55 127.86 3cw2 n ASP 76 Ca 0.08 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 3cw2 n ASP 76 Cb 0.33 0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 3cw2 n ASP 76 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3cw2 n ASP 77 N -2.83 0.00 -4.03 -2.24 9.92 -1.26 -5.10 116.55 111.00 3cw2 n ASP 77 Ca -0.33 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.74 3cw2 n ASP 77 Cb 1.04 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 41.37 3cw2 n ASP 77 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3cw2 s LYS 78 N 1.08 0.77 2.33 -1.24 -2.85 -1.26 -4.82 119.74 113.75 3cw2 s LYS 78 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 3cw2 s LYS 78 Cb 0.00 -0.74 0.00 0.00 -2.06 0.00 0.00 37.83 35.03 3cw2 s LYS 78 CO 0.00 0.20 0.00 0.41 0.10 0.00 0.00 175.35 176.06 3cw2 n GLY 79 N 2.80 -0.36 0.00 0.59 0.00 -0.77 -4.74 105.19 102.71 3cw2 n GLY 79 Ca -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3cw2 n GLY 79 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cw2 n GLU 80 N -0.42 0.00 -3.93 1.61 0.28 -1.26 -4.06 120.64 112.87 3cw2 n GLU 80 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3cw2 n GLU 80 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 3cw2 n GLU 80 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3cw2 n LEU 81 N 0.00 -2.47 -0.20 -1.84 4.77 -1.20 -4.57 117.00 111.49 3cw2 n LEU 81 Ca 0.00 -0.86 -0.02 0.00 -0.03 0.00 0.00 56.01 55.11 3cw2 n LEU 81 Cb 0.00 -2.45 0.09 0.00 -2.33 0.00 0.00 43.42 38.73 3cw2 n LEU 81 CO 0.00 0.42 1.04 1.62 -1.33 0.00 0.00 177.39 179.14 3cw2 h VAL 82 N -1.91 0.90 -3.39 4.08 3.04 -1.78 -3.36 116.25 113.82 3cw2 h VAL 82 Ca -0.59 -0.19 -0.51 0.00 -1.01 0.00 0.00 66.70 64.40 3cw2 h VAL 82 Cb 1.37 0.31 -0.34 0.00 -2.01 0.00 0.00 31.29 30.62 3cw2 h VAL 82 CO 0.66 0.10 -0.81 -0.63 -1.01 0.00 0.00 177.57 175.88 3cw2 s ILE 83 N -6.10 1.09 -0.28 3.17 1.01 -1.26 -4.71 121.20 114.12 3cw2 s ILE 83 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3cw2 s ILE 83 Cb 0.16 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.61 3cw2 s ILE 83 CO 0.75 0.35 0.00 1.67 0.00 0.00 0.00 174.94 177.71 3cw2 n GLN 84 N 3.96 -0.26 0.01 2.79 -0.06 -1.26 -3.57 117.38 118.99 3cw2 n GLN 84 Ca -0.22 0.21 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3cw2 n GLN 84 Cb 0.51 -3.88 0.01 0.00 -4.06 0.00 0.00 30.24 22.83 3cw2 n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3cw2 n GLY 85 N -1.17 -0.31 2.31 1.69 0.00 -1.26 -4.43 105.19 102.02 3cw2 n GLY 85 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 3cw2 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cw2 n LYS 86 N -1.33 -1.98 -2.76 1.61 4.76 -1.26 -4.03 118.16 113.17 3cw2 n LYS 86 Ca -0.00 0.63 -0.09 0.00 -2.87 0.00 0.00 58.31 55.97 3cw2 n LYS 86 Cb 0.21 -5.13 0.08 0.00 -1.84 0.00 0.00 35.03 28.34 3cw2 n LYS 86 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3cw2 n PHE 87 N -2.97 -1.56 -2.92 2.13 7.35 -1.26 -4.78 117.46 113.45 3cw2 n PHE 87 Ca -0.14 -2.39 -0.43 0.00 -0.76 0.00 0.00 57.45 53.73 3cw2 n PHE 87 Cb 0.56 0.98 -0.04 0.00 0.35 0.00 0.00 39.48 41.32 3cw2 n PHE 87 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3cw2 s SER 88 N -1.74 6.20 0.00 -2.13 0.15 -1.26 -4.69 113.70 110.23 3cw2 s SER 88 Ca 0.25 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.92 3cw2 s SER 88 Cb 0.37 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 3cw2 s SER 88 CO -0.05 -1.32 0.00 -1.54 1.20 0.00 0.00 173.24 171.53 3cw2 n SER 89 N 7.32 0.00 -0.21 5.45 3.41 -1.26 -4.97 113.62 123.36 3cw2 n SER 89 Ca -0.04 -0.78 0.07 0.00 -0.26 0.00 0.00 58.87 57.86 3cw2 n SER 89 Cb 0.45 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.50 3cw2 n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cw2 n GLN 90 N 0.00 0.87 -1.75 4.33 10.64 -1.26 -4.67 117.38 125.53 3cw2 n GLN 90 Ca 0.00 -2.07 -0.32 0.00 -1.83 0.00 0.00 57.00 52.79 3cw2 n GLN 90 Cb 0.00 -1.18 -0.04 0.00 -0.86 0.00 0.00 30.24 28.16 3cw2 n GLN 90 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3cw2 s VAL 91 N -1.95 3.15 -0.54 -0.39 1.01 -1.26 -4.76 120.40 115.67 3cw2 s VAL 91 Ca 0.22 0.01 0.21 0.00 0.00 0.00 0.00 61.98 62.42 3cw2 s VAL 91 Cb 0.19 -3.39 0.22 0.00 0.00 0.00 0.00 36.38 33.40 3cw2 s VAL 91 CO 0.02 -0.37 1.65 -0.38 0.00 0.00 0.00 175.10 176.02 3cw2 n ILE 92 N 7.91 0.91 -3.73 2.22 5.41 -1.26 -3.92 119.36 126.89 3cw2 n ILE 92 Ca 0.34 0.30 -0.34 0.00 1.00 0.00 0.00 62.75 64.05 3cw2 n ILE 92 Cb 0.51 -1.22 -0.09 0.00 -0.71 0.00 0.00 39.64 38.13 3cw2 n ILE 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3cw2 s ASN 93 N -4.00 5.40 0.00 4.38 2.47 -1.26 -4.66 114.94 117.27 3cw2 s ASN 93 Ca 0.04 -3.40 0.00 0.00 0.42 0.00 0.00 52.86 49.91 3cw2 s ASN 93 Cb 0.09 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 38.06 3cw2 s ASN 93 CO 0.34 -0.23 0.00 0.41 -3.72 0.00 0.00 177.10 173.90 3cw2 n THR 94 N 2.71 0.00 1.11 -5.21 -1.04 -1.25 -4.81 114.28 105.79 3cw2 n THR 94 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3cw2 n THR 94 Cb 0.37 -0.22 0.01 0.00 -1.82 0.00 0.00 70.33 68.67 3cw2 n THR 94 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3cw2 n LEU 95 N -1.08 0.97 -0.02 -4.42 7.94 -1.26 -3.54 117.00 115.58 3cw2 n LEU 95 Ca 0.00 -0.48 -0.03 0.00 -1.11 0.00 0.00 56.01 54.38 3cw2 n LEU 95 Cb 0.12 -0.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.63 3cw2 n LEU 95 CO 0.00 0.22 -0.66 0.80 -1.11 0.00 0.00 177.39 176.64 3cw2 n MET 96 N -0.06 1.29 -0.04 1.96 1.56 -1.26 -4.52 117.12 116.05 3cw2 n MET 96 Ca 0.01 0.02 -0.15 0.00 -0.27 0.00 0.00 57.70 57.31 3cw2 n MET 96 Cb 0.23 -1.11 -0.14 0.00 2.15 0.00 0.00 33.22 34.36 3cw2 n MET 96 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3cw2 n GLU 97 N -2.47 0.69 0.26 2.12 0.00 -1.24 -3.36 120.64 116.64 3cw2 n GLU 97 Ca -0.08 0.21 0.14 0.00 0.00 0.00 0.00 57.16 57.42 3cw2 n GLU 97 Cb 0.61 -1.67 0.66 0.00 0.00 0.00 0.00 31.44 31.04 3cw2 n GLU 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3cw2 h ARG 98 N 0.02 0.00 -0.98 5.31 9.65 -1.86 -2.37 114.38 124.16 3cw2 h ARG 98 Ca -0.43 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 57.86 3cw2 h ARG 98 Cb 2.04 0.00 -0.39 0.00 -1.39 0.00 0.00 29.97 30.23 3cw2 h ARG 98 CO 0.05 0.12 -0.32 1.19 2.80 0.00 0.00 179.97 183.81 3cw2 n PHE 99 N -3.38 2.97 0.90 2.20 3.01 -1.26 -4.62 117.46 117.28 3cw2 n PHE 99 Ca -0.01 -2.54 0.10 0.00 1.01 0.00 0.00 57.45 56.02 3cw2 n PHE 99 Cb 0.31 -0.61 -0.05 0.00 -0.01 0.00 0.00 39.48 39.12 3cw2 n PHE 99 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3cw2 n LEU 100 N -0.72 0.82 0.00 4.37 7.94 -0.89 -4.03 117.00 124.49 3cw2 n LEU 100 Ca 0.48 -0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 3cw2 n LEU 100 Cb 0.82 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.72 3cw2 n LEU 100 CO 0.49 0.20 0.00 0.29 -1.11 0.00 0.00 177.39 177.25 3cw2 n LYS 101 N -1.59 0.00 -0.94 1.96 5.02 -1.26 -4.79 118.16 116.56 3cw2 n LYS 101 Ca 0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 3cw2 n LYS 101 Cb 0.35 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.29 3cw2 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cw2 n ALA 102 N -2.11 0.45 -1.00 7.82 0.00 -1.26 -4.84 120.51 119.56 3cw2 n ALA 102 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.57 3cw2 n ALA 102 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 3cw2 n ALA 102 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3cw2 n TYR 103 N 9.90 -1.36 0.15 0.00 9.36 -1.26 -4.18 117.16 129.78 3cw2 n TYR 103 Ca 0.29 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.43 3cw2 n TYR 103 Cb 0.41 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.08 3cw2 n TYR 103 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3cw2 h VAL 104 N -1.29 0.09 0.00 2.97 2.07 -1.94 -3.47 116.25 114.68 3cw2 h VAL 104 Ca 0.00 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3cw2 h VAL 104 Cb 0.00 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3cw2 h VAL 104 CO 0.00 0.02 -0.41 -1.84 0.02 0.00 0.00 177.57 175.36 3cw2 n GLU 105 N -5.09 0.00 -3.94 1.57 0.28 -1.26 -4.78 120.64 107.42 3cw2 n GLU 105 Ca -0.06 -0.83 -0.29 0.00 -0.16 0.00 0.00 57.16 55.82 3cw2 n GLU 105 Cb 0.20 -0.30 -0.16 0.00 1.43 0.00 0.00 31.44 32.61 3cw2 n GLU 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3cw2 n SER 107 N 4.82 0.00 -1.28 0.00 2.88 -1.26 -4.70 113.62 114.07 3cw2 n SER 107 Ca -0.13 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 3cw2 n SER 107 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 3cw2 n SER 107 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3cw2 n THR 108 N 0.00 0.00 -4.38 2.46 -2.24 -1.26 -5.01 114.28 103.84 3cw2 n THR 108 Ca 0.00 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 3cw2 n THR 108 Cb 0.00 0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 3cw2 n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cw2 n LYS 110 N -0.51 0.52 -1.54 0.00 3.00 -1.26 -4.56 118.16 113.81 3cw2 n LYS 110 Ca -0.05 0.33 -0.42 0.00 -0.00 0.00 0.00 58.31 58.16 3cw2 n LYS 110 Cb 0.63 -1.53 -0.05 0.00 0.00 0.00 0.00 35.03 34.09 3cw2 n LYS 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3cw2 n SER 111 N -4.48 2.49 0.00 3.14 2.88 -1.26 -4.51 113.62 111.89 3cw2 n SER 111 Ca -0.18 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 3cw2 n SER 111 Cb 0.50 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3cw2 n SER 111 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3cw2 n LEU 112 N 12.70 0.00 0.00 2.46 0.00 -1.26 -4.92 117.00 125.98 3cw2 n LEU 112 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.38 3cw2 n LEU 112 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 43.73 3cw2 n LEU 112 CO 0.72 0.00 0.00 -0.67 0.00 0.00 0.00 177.39 177.44 3cw2 n ASP 113 N 0.00 0.00 -3.09 1.96 2.03 -1.26 -4.99 116.55 111.19 3cw2 n ASP 113 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3cw2 n ASP 113 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3cw2 n ASP 113 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3cw2 s THR 114 N 0.18 -0.57 -2.12 5.18 2.01 -1.26 -5.04 115.64 114.02 3cw2 s THR 114 Ca 0.00 -1.19 0.30 0.00 0.31 0.00 0.00 61.69 61.11 3cw2 s THR 114 Cb 0.00 -0.41 0.79 0.00 0.01 0.00 0.00 72.50 72.90 3cw2 s THR 114 CO 0.00 -0.39 2.07 -0.38 -0.69 0.00 0.00 174.62 175.23 3cw2 n ILE 115 N 3.43 0.00 -2.66 1.82 5.41 -1.26 -4.33 119.36 121.77 3cw2 n ILE 115 Ca 0.18 -0.06 0.02 0.00 1.00 0.00 0.00 62.75 63.88 3cw2 n ILE 115 Cb 0.52 -0.25 0.01 0.00 -0.71 0.00 0.00 39.64 39.22 3cw2 n ILE 115 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3cw2 s LEU 116 N -1.96 -0.03 0.00 1.39 2.96 -1.26 -3.66 118.68 116.11 3cw2 s LEU 116 Ca 0.44 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3cw2 s LEU 116 Cb 0.21 0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.94 3cw2 s LEU 116 CO 0.35 -0.00 0.00 1.17 -1.32 0.00 0.00 176.35 176.55 3cw2 n LYS 117 N 3.44 0.00 0.00 1.98 3.00 -1.26 -4.78 118.16 120.54 3cw2 n LYS 117 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3cw2 n LYS 117 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 3cw2 n LYS 117 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3cw2 n LYS 118 N 0.00 2.34 -4.01 1.64 2.85 -1.26 -5.04 118.16 114.69 3cw2 n LYS 118 Ca 0.00 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.93 3cw2 n LYS 118 Cb 0.00 -0.81 -0.15 0.00 -0.65 0.00 0.00 35.03 33.43 3cw2 n LYS 118 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3cw2 s GLU 119 N -1.29 2.10 0.00 -1.58 2.12 -1.26 -5.08 118.70 113.71 3cw2 s GLU 119 Ca 0.00 -1.48 0.00 0.00 0.36 0.00 0.00 54.97 53.85 3cw2 s GLU 119 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.33 3cw2 s GLU 119 CO 0.00 -0.69 0.00 1.63 -0.54 0.00 0.00 175.26 175.66 3cw2 n LYS 120 N 4.44 0.52 0.00 4.30 4.76 -1.26 -5.00 118.16 125.92 3cw2 n LYS 120 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3cw2 n LYS 120 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 3cw2 n LYS 120 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3cw2 n LYS 121 N 0.00 0.00 -0.38 1.97 0.00 -1.26 -4.89 118.16 113.60 3cw2 n LYS 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3cw2 n LYS 121 Cb 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 35.03 35.14 3cw2 n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3cw2 n SER 122 N -1.14 2.95 -0.03 3.14 3.41 -1.26 -3.41 113.62 117.29 3cw2 n SER 122 Ca 0.00 -2.42 0.09 0.00 -0.26 0.00 0.00 58.87 56.28 3cw2 n SER 122 Cb 0.00 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 3cw2 n SER 122 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3cw2 n TRP 123 N 0.16 0.00 0.00 7.33 -0.00 -1.26 -4.32 117.44 119.35 3cw2 n TRP 123 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.64 3cw2 n TRP 123 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.01 3cw2 n TRP 123 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3cw2 n TYR 124 N -1.38 0.00 0.42 5.87 9.36 -1.22 -4.75 117.16 125.46 3cw2 n TYR 124 Ca 0.04 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.09 3cw2 n TYR 124 Cb 0.31 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.94 3cw2 n TYR 124 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3cw2 h ILE 125 N 0.00 0.00 -3.27 2.97 2.04 -1.80 -3.43 117.51 114.01 3cw2 h ILE 125 Ca 0.00 -0.18 -0.41 0.00 1.00 0.00 0.00 64.86 65.27 3cw2 h ILE 125 Cb 0.87 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 36.56 3cw2 h ILE 125 CO 0.00 0.00 -0.75 0.54 0.00 0.00 0.00 178.15 177.94 3cw2 s VAL 126 N -5.09 0.11 -0.41 1.67 0.11 -1.26 -5.10 120.40 110.44 3cw2 s VAL 126 Ca -0.16 0.25 -0.27 0.00 -2.93 0.00 0.00 61.98 58.88 3cw2 s VAL 126 Cb 0.02 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 3cw2 s VAL 126 CO 0.47 0.19 2.25 0.00 -3.33 0.00 0.00 175.10 174.68 3cw2 h LEU 128 N 17.45 0.00 0.00 0.00 3.38 -1.92 -3.53 115.31 130.70 3cw2 h LEU 128 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3cw2 h LEU 128 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3cw2 h LEU 128 CO 1.09 0.80 0.00 0.00 0.09 0.00 0.00 178.44 180.42