#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwg n GLY 4 N -1.06 -0.39 0.37 0.00 0.00 0.63 -2.95 105.19 101.79 2cwg n GLY 4 Ca -0.10 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 44.99 2cwg n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2cwg h GLU 5 N 0.00 0.65 0.00 1.61 4.57 -1.93 0.35 114.58 119.83 2cwg h GLU 5 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2cwg h GLU 5 Cb 0.00 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2cwg h GLU 5 CO 0.00 0.43 -0.05 1.96 -1.18 0.00 0.00 179.01 180.18 2cwg h GLN 6 N 0.67 0.00 -0.91 1.92 7.50 -1.93 -3.29 115.11 119.08 2cwg h GLN 6 Ca 0.55 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 59.23 2cwg h GLN 6 Cb 0.98 0.00 -0.42 0.00 0.05 0.00 0.00 27.48 28.09 2cwg h GLN 6 CO -0.32 0.05 -0.92 0.41 -1.50 0.00 0.00 178.83 176.55 2cwg n GLY 7 N 0.08 4.60 3.83 3.46 0.00 -0.16 -4.83 105.19 112.17 2cwg n GLY 7 Ca 0.01 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 2cwg n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cwg n SER 8 N -0.53 -3.53 -1.02 1.61 7.64 -1.12 -1.78 113.62 114.89 2cwg n SER 8 Ca 0.30 -0.79 -0.12 0.00 1.01 0.00 0.00 58.87 59.27 2cwg n SER 8 Cb 0.83 -3.96 -0.04 0.00 -1.01 0.00 0.00 64.21 60.03 2cwg n SER 8 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2cwg n ASN 9 N -2.92 -4.24 -4.77 6.43 5.03 0.10 -4.97 115.26 109.93 2cwg n ASN 9 Ca -0.08 0.21 -0.40 0.00 0.87 0.00 0.00 54.58 55.18 2cwg n ASN 9 Cb 0.58 -2.96 0.01 0.00 -1.02 0.00 0.00 39.78 36.39 2cwg n ASN 9 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2cwg s MET 10 N -3.42 3.74 0.20 3.52 1.75 -0.73 -4.57 119.30 119.79 2cwg s MET 10 Ca 0.00 2.33 0.06 0.00 -1.25 0.00 0.00 55.69 56.84 2cwg s MET 10 Cb 0.00 -2.67 -0.04 0.00 2.84 0.00 0.00 34.83 34.97 2cwg s MET 10 CO 0.00 -0.74 0.14 -1.21 -0.65 0.00 0.00 175.02 172.56 2cwg s GLU 11 N -2.41 2.83 0.38 4.11 2.02 -1.26 -0.27 118.70 124.10 2cwg s GLU 11 Ca 0.60 -0.99 -0.09 0.00 0.02 0.00 0.00 54.97 54.52 2cwg s GLU 11 Cb -0.42 -2.56 -0.06 0.00 0.10 0.00 0.00 34.13 31.19 2cwg s GLU 11 CO 0.54 0.45 0.72 0.00 0.02 0.00 0.00 175.26 176.98 2cwg s PRO 13 N -3.79 2.69 -1.71 0.00 0.04 -1.26 -3.97 135.00 126.99 2cwg s PRO 13 Ca 0.49 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 2cwg s PRO 13 Cb -0.10 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.66 2cwg s PRO 13 CO 0.31 -1.34 0.67 0.09 0.04 0.00 0.00 177.00 176.77 2cwg n ASN 14 N -2.54 -2.48 -0.18 6.66 4.13 -1.26 -1.80 115.26 117.79 2cwg n ASN 14 Ca 0.11 -1.08 -0.02 0.00 1.68 0.00 0.00 54.58 55.26 2cwg n ASN 14 Cb 0.52 -2.47 -0.01 0.00 -1.54 0.00 0.00 39.78 36.28 2cwg n ASN 14 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2cwg n ASN 15 N -2.66 -4.39 -4.77 6.41 3.02 -1.25 -4.98 115.26 106.64 2cwg n ASN 15 Ca 0.03 0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.27 2cwg n ASN 15 Cb 0.51 -2.10 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 2cwg n ASN 15 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2cwg s LEU 16 N -0.54 3.95 0.37 3.41 1.02 -0.75 -0.88 118.68 125.26 2cwg s LEU 16 Ca 0.00 2.39 -0.26 0.00 0.02 0.00 0.00 54.13 56.28 2cwg s LEU 16 Cb 0.00 -4.29 -0.09 0.00 0.02 0.00 0.00 46.19 41.83 2cwg s LEU 16 CO 0.00 -1.09 1.08 0.00 0.02 0.00 0.00 176.35 176.35 2cwg s SER 19 N 1.68 2.63 0.45 0.00 1.04 -0.70 -0.35 113.70 118.45 2cwg s SER 19 Ca 0.05 1.16 0.27 0.00 0.48 0.00 0.00 55.95 57.91 2cwg s SER 19 Cb -0.18 -1.81 1.49 0.00 0.10 0.00 0.00 66.02 65.62 2cwg s SER 19 CO 0.09 -3.13 1.83 0.06 0.98 0.00 0.00 173.24 173.08 2cwg h GLN 20 N -1.89 0.00 -0.01 4.02 3.07 -1.78 0.27 115.11 118.79 2cwg h GLN 20 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.20 2cwg h GLN 20 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 2cwg h GLN 20 CO 0.58 0.00 -0.33 0.66 0.09 0.00 0.00 178.83 179.83 2cwg n TYR 21 N -2.51 0.00 -1.35 0.06 4.01 -1.26 -4.95 117.16 111.16 2cwg n TYR 21 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2cwg n TYR 21 Cb 0.11 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2cwg n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cwg n GLY 22 N 1.37 0.87 3.34 2.72 0.00 0.08 -4.94 105.19 108.64 2cwg n GLY 22 Ca 0.11 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 2cwg n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cwg s TYR 23 N -2.00 1.95 -0.05 1.61 2.02 -1.26 -1.68 117.35 117.94 2cwg s TYR 23 Ca 0.00 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.16 2cwg s TYR 23 Cb 0.00 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.51 2cwg s TYR 23 CO 0.00 0.33 0.29 0.00 -1.57 0.00 0.00 175.55 174.60 2cwg n GLY 25 N 1.92 -0.91 3.02 0.00 0.00 -0.69 -5.00 105.19 103.53 2cwg n GLY 25 Ca -0.17 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 2cwg n GLY 25 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cwg s MET 26 N -0.13 0.39 0.00 1.61 1.75 -1.26 -1.40 119.30 120.26 2cwg s MET 26 Ca 0.00 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 2cwg s MET 26 Cb 0.00 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.81 2cwg s MET 26 CO 0.00 -0.07 0.00 0.41 -0.65 0.00 0.00 175.02 174.71 2cwg n GLY 27 N 1.34 1.07 0.15 2.11 0.00 -1.26 -4.68 105.19 103.91 2cwg n GLY 27 Ca -0.22 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.70 2cwg n GLY 27 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2cwg h GLY 28 N 0.00 0.00 1.95 -0.02 0.00 -1.99 -1.11 103.07 101.90 2cwg h GLY 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2cwg h GLY 28 CO 0.00 0.00 -0.59 -0.55 0.00 0.00 0.00 176.54 175.40 2cwg h ASP 29 N 0.00 0.00 0.00 0.19 3.32 -1.95 -2.47 116.42 115.51 2cwg h ASP 29 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2cwg h ASP 29 Cb 0.34 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 2cwg h ASP 29 CO 0.00 0.55 -2.19 -1.22 -1.72 0.00 0.00 179.24 174.66 2cwg n TYR 30 N -3.22 0.00 0.08 4.55 4.01 -1.01 -4.67 117.16 116.89 2cwg n TYR 30 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 2cwg n TYR 30 Cb 0.76 -0.79 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 2cwg n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cwg n GLY 32 N 1.24 -1.04 3.60 0.00 0.00 -0.93 -2.02 105.19 106.05 2cwg n GLY 32 Ca -0.03 -1.28 -0.47 0.00 0.00 0.00 0.00 46.02 44.25 2cwg n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cwg n LYS 33 N 0.00 1.42 -1.00 1.61 4.81 -1.26 -2.09 118.16 121.65 2cwg n LYS 33 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2cwg n LYS 33 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2cwg n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cwg n GLY 34 N 1.85 0.41 3.74 3.14 0.00 -1.26 -4.61 105.19 108.46 2cwg n GLY 34 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2cwg n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n GLN 36 N 2.21 0.68 -3.85 0.00 6.02 0.52 -4.94 117.38 118.02 2cwg n GLN 36 Ca 0.09 0.13 -0.07 0.00 -0.01 0.00 0.00 57.00 57.14 2cwg n GLN 36 Cb 0.36 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 2cwg n GLN 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2cwg s ASN 37 N -6.25 -0.21 0.00 1.08 6.03 -1.26 -4.97 114.94 109.36 2cwg s ASN 37 Ca -0.23 -0.71 0.00 0.00 -1.03 0.00 0.00 52.86 50.89 2cwg s ASN 37 Cb 0.08 0.75 0.00 0.00 -3.03 0.00 0.00 41.25 39.05 2cwg s ASN 37 CO 0.71 -1.42 0.00 0.61 -2.03 0.00 0.00 177.10 174.98 2cwg n GLY 38 N -0.47 -0.86 2.11 0.45 0.00 -1.26 -1.29 105.19 103.87 2cwg n GLY 38 Ca -0.05 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.65 2cwg n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n ALA 39 N 3.32 3.55 -1.66 4.61 0.00 -0.05 -4.89 120.51 125.39 2cwg n ALA 39 Ca 0.00 -0.71 -0.40 0.00 0.00 0.00 0.00 53.44 52.33 2cwg n ALA 39 Cb 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 19.45 17.40 2cwg n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cwg h TRP 41 N 1.59 0.39 -3.14 0.00 6.55 -1.68 -3.35 115.95 116.31 2cwg h TRP 41 Ca -0.47 -0.15 -0.76 0.00 0.95 0.00 0.00 58.89 58.47 2cwg h TRP 41 Cb 1.32 -0.07 -0.24 0.00 -0.86 0.00 0.00 29.16 29.31 2cwg h TRP 41 CO 0.44 0.82 -0.24 0.99 -1.05 0.00 0.00 178.44 179.40 2cwg s THR 42 N -3.82 5.21 0.24 1.49 2.01 -1.26 -5.05 115.64 114.46 2cwg s THR 42 Ca -0.05 -1.41 -0.31 0.00 0.31 0.00 0.00 61.69 60.24 2cwg s THR 42 Cb 0.12 -4.29 -0.14 0.00 0.01 0.00 0.00 72.50 68.20 2cwg s THR 42 CO 0.81 -0.81 1.27 -1.20 -0.69 0.00 0.00 174.62 173.99 2cwg n SER 43 N 5.24 2.14 -4.80 3.53 7.64 -1.26 -4.97 113.62 121.14 2cwg n SER 43 Ca -0.14 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 60.59 2cwg n SER 43 Cb 0.41 -1.35 0.06 0.00 -1.01 0.00 0.00 64.21 62.32 2cwg n SER 43 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cwg s LYS 44 N -0.73 2.71 0.31 1.43 3.01 -1.26 -4.84 119.74 120.37 2cwg s LYS 44 Ca 0.67 1.08 -0.02 0.00 -1.01 0.00 0.00 55.97 56.68 2cwg s LYS 44 Cb -0.71 -1.96 -0.04 0.00 -1.01 0.00 0.00 37.83 34.12 2cwg s LYS 44 CO 0.53 -1.29 0.55 1.03 0.51 0.00 0.00 175.35 176.68 2cwg s ARG 45 N -4.86 3.55 0.22 1.68 0.52 -1.26 -1.99 118.95 116.80 2cwg s ARG 45 Ca 0.60 -0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 55.53 2cwg s ARG 45 Cb -0.16 -2.66 0.05 0.00 0.52 0.00 0.00 34.95 32.70 2cwg s ARG 45 CO 0.53 0.18 0.61 0.00 0.02 0.00 0.00 175.30 176.64 2cwg n GLY 47 N -0.42 0.23 0.34 0.00 0.00 0.69 -3.21 105.19 102.82 2cwg n GLY 47 Ca -0.04 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 45.07 2cwg n GLY 47 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cwg h SER 48 N 0.79 0.81 -0.11 1.61 4.64 -1.94 -0.15 113.55 119.20 2cwg h SER 48 Ca 0.00 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2cwg h SER 48 Cb 0.00 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2cwg h SER 48 CO 0.00 0.44 0.09 1.56 -0.87 0.00 0.00 176.83 178.06 2cwg h GLN 49 N 0.90 0.00 -0.07 4.77 7.50 -1.92 -2.72 115.11 123.58 2cwg h GLN 49 Ca 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.55 2cwg h GLN 49 Cb 0.43 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.92 2cwg h GLN 49 CO -0.26 0.00 -0.52 0.00 -1.50 0.00 0.00 178.83 176.55 2cwg n ALA 50 N -2.45 3.79 -3.74 3.87 0.00 -0.11 -4.95 120.51 116.93 2cwg n ALA 50 Ca -0.00 -3.35 -0.31 0.00 0.00 0.00 0.00 53.44 49.78 2cwg n ALA 50 Cb 0.21 -0.35 0.03 0.00 0.00 0.00 0.00 19.45 19.33 2cwg n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwg n GLY 51 N -1.08 -1.04 3.17 0.00 0.00 -0.94 -3.44 105.19 101.86 2cwg n GLY 51 Ca 0.21 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2cwg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 52 N -1.78 1.33 3.69 -0.02 0.00 -0.96 -5.01 105.19 102.43 2cwg n GLY 52 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2cwg n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n ALA 53 N 0.77 1.59 -2.84 4.61 0.00 -1.22 -4.65 120.51 118.77 2cwg n ALA 53 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 2cwg n ALA 53 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.06 2cwg n ALA 53 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2cwg s THR 54 N 0.34 5.27 0.63 0.00 -1.32 -1.26 -0.22 115.64 119.08 2cwg s THR 54 Ca 0.71 -0.39 -0.13 0.00 -1.21 0.00 0.00 61.69 60.67 2cwg s THR 54 Cb -0.62 -3.69 -0.02 0.00 -1.51 0.00 0.00 72.50 66.65 2cwg s THR 54 CO 0.44 -0.05 1.05 0.00 -2.21 0.00 0.00 174.62 173.85 2cwg s THR 56 N -2.83 2.27 -1.35 0.00 -4.23 -1.26 -4.29 115.64 103.95 2cwg s THR 56 Ca 0.59 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 2cwg s THR 56 Cb -0.14 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.75 2cwg s THR 56 CO 0.46 0.00 0.41 0.59 -0.54 0.00 0.00 174.62 175.55 2cwg n ASN 57 N -2.93 -4.61 -4.16 3.99 4.13 -1.26 -2.12 115.26 108.30 2cwg n ASN 57 Ca 0.08 -0.23 -0.35 0.00 1.68 0.00 0.00 54.58 55.76 2cwg n ASN 57 Cb 0.60 -3.80 -0.01 0.00 -1.54 0.00 0.00 39.78 35.03 2cwg n ASN 57 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2cwg n ASN 58 N -2.26 -3.68 -4.88 6.41 3.02 -1.26 -4.95 115.26 107.66 2cwg n ASN 58 Ca -0.08 -0.96 -0.30 0.00 -0.03 0.00 0.00 54.58 53.21 2cwg n ASN 58 Cb 0.59 -3.01 0.02 0.00 -0.61 0.00 0.00 39.78 36.76 2cwg n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2cwg s GLN 59 N -6.86 3.36 0.24 3.52 -0.21 -0.90 -4.38 119.66 114.42 2cwg s GLN 59 Ca 0.73 0.53 -0.20 0.00 0.02 0.00 0.00 55.36 56.45 2cwg s GLN 59 Cb -0.39 -2.13 -0.08 0.00 1.00 0.00 0.00 33.01 31.41 2cwg s GLN 59 CO 0.91 -0.64 0.74 0.00 -2.12 0.00 0.00 175.29 174.19 2cwg s SER 62 N 1.71 2.67 0.56 0.00 1.04 -0.19 0.68 113.70 120.16 2cwg s SER 62 Ca 0.02 1.25 0.25 0.00 0.48 0.00 0.00 55.95 57.95 2cwg s SER 62 Cb -0.20 -1.92 1.50 0.00 0.10 0.00 0.00 66.02 65.50 2cwg s SER 62 CO 0.05 -3.11 2.10 0.06 0.98 0.00 0.00 173.24 173.32 2cwg h GLN 63 N -1.88 0.00 -0.03 4.02 3.07 -1.78 0.23 115.11 118.75 2cwg h GLN 63 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.20 2cwg h GLN 63 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 2cwg h GLN 63 CO 0.57 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.15 2cwg n TYR 64 N -4.15 0.01 -2.17 0.06 4.01 -1.26 -4.96 117.16 108.71 2cwg n TYR 64 Ca 0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2cwg n TYR 64 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2cwg n TYR 64 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2cwg n GLY 65 N 1.21 0.79 3.25 2.72 0.00 0.07 -4.92 105.19 108.30 2cwg n GLY 65 Ca 0.18 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2cwg n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cwg s TYR 66 N -2.59 1.77 -0.02 1.61 2.02 -1.26 -0.57 117.35 118.31 2cwg s TYR 66 Ca 0.00 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 2cwg s TYR 66 Cb 0.00 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 2cwg s TYR 66 CO 0.00 0.11 0.61 0.00 -1.57 0.00 0.00 175.55 174.70 2cwg n GLY 68 N 2.58 -1.36 3.42 0.00 0.00 -0.58 -4.66 105.19 104.60 2cwg n GLY 68 Ca -0.06 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 2cwg n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cwg s PHE 69 N -2.72 1.92 0.00 1.61 0.08 -1.26 -1.27 117.98 116.35 2cwg s PHE 69 Ca 0.00 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.30 2cwg s PHE 69 Cb 0.00 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2cwg s PHE 69 CO 0.00 0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 2cwg n GLY 70 N -0.58 1.26 0.37 4.36 0.00 -1.26 -4.59 105.19 104.75 2cwg n GLY 70 Ca -0.05 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.09 2cwg n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg h ALA 71 N 0.00 1.84 0.00 4.61 0.00 -1.99 0.51 119.26 124.23 2cwg h ALA 71 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2cwg h ALA 71 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2cwg h ALA 71 CO 0.00 -0.13 -0.17 0.93 0.00 0.00 0.00 179.25 179.89 2cwg h GLU 72 N 0.69 0.00 0.01 0.00 3.07 -1.96 -1.11 114.58 115.28 2cwg h GLU 72 Ca 0.49 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.95 2cwg h GLU 72 Cb 0.84 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.69 2cwg h GLU 72 CO -0.25 0.17 -2.41 0.66 -1.40 0.00 0.00 179.01 175.78 2cwg n TYR 73 N -3.27 0.16 0.76 4.33 4.02 -0.69 -4.61 117.16 117.85 2cwg n TYR 73 Ca 0.01 0.04 0.11 0.00 -0.01 0.00 0.00 57.90 58.05 2cwg n TYR 73 Cb 0.44 -1.02 -0.02 0.00 -0.02 0.00 0.00 39.34 38.72 2cwg n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cwg n GLY 75 N 1.43 0.25 3.63 0.00 0.00 -0.42 -0.51 105.19 109.57 2cwg n GLY 75 Ca 0.03 -1.33 -0.53 0.00 0.00 0.00 0.00 46.02 44.19 2cwg n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n ALA 76 N -3.00 -0.59 -1.01 4.61 0.00 -1.26 -1.25 120.51 118.01 2cwg n ALA 76 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 2cwg n ALA 76 Cb 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 19.45 17.31 2cwg n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwg n GLY 77 N 3.02 0.37 3.61 0.00 0.00 -1.26 -4.53 105.19 106.40 2cwg n GLY 77 Ca 0.20 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 2cwg n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n GLN 79 N 1.04 2.47 0.00 0.00 6.02 0.21 -4.89 117.38 122.23 2cwg n GLN 79 Ca 0.10 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2cwg n GLN 79 Cb 0.31 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2cwg n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cwg n GLY 80 N 1.26 0.57 4.75 1.08 0.00 -1.24 -4.94 105.19 106.67 2cwg n GLY 80 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2cwg n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 81 N -0.25 -1.70 2.67 -0.02 0.00 -1.26 -1.58 105.19 103.06 2cwg n GLY 81 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 2cwg n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cwg n PRO 82 N 0.00 3.41 -0.87 1.61 -0.04 -1.26 -4.95 135.00 132.90 2cwg n PRO 82 Ca 0.00 -2.90 -0.33 0.00 -0.04 0.00 0.00 63.50 60.23 2cwg n PRO 82 Cb 0.00 -3.03 0.13 0.00 -0.04 0.00 0.00 33.50 30.56 2cwg n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cwg h ARG 84 N -1.41 0.00 -7.08 0.00 3.08 -1.07 -3.45 114.38 104.45 2cwg h ARG 84 Ca -0.44 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.14 2cwg h ARG 84 Cb 1.29 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.36 2cwg h ARG 84 CO 0.40 0.82 0.37 0.00 -1.07 0.00 0.00 179.97 180.49 2cwg s ALA 85 N -2.82 2.91 -0.06 0.04 0.00 -1.26 -4.99 121.76 115.57 2cwg s ALA 85 Ca 0.02 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2cwg s ALA 85 Cb 0.09 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2cwg s ALA 85 CO 0.79 -0.24 1.28 -0.51 0.00 0.00 0.00 175.76 177.09 2cwg s ASP 86 N -2.13 6.96 -0.23 0.00 1.01 -1.26 -4.98 116.67 116.03 2cwg s ASP 86 Ca 0.65 1.88 -0.21 0.00 0.71 0.00 0.00 52.55 55.59 2cwg s ASP 86 Cb -0.14 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 2cwg s ASP 86 CO 0.20 -0.67 0.63 -0.63 0.21 0.00 0.00 175.17 174.91 2cwg s ILE 87 N 2.61 5.00 0.37 0.77 1.01 -1.26 -5.01 121.20 124.68 2cwg s ILE 87 Ca 0.58 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 62.20 2cwg s ILE 87 Cb -0.26 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 2cwg s ILE 87 CO 0.22 0.06 0.87 -0.54 0.00 0.00 0.00 174.94 175.55 2cwg s LYS 88 N 2.25 4.21 0.34 2.79 1.02 -1.26 -1.12 119.74 127.97 2cwg s LYS 88 Ca 0.27 1.00 -0.15 0.00 0.02 0.00 0.00 55.97 57.11 2cwg s LYS 88 Cb -0.16 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2cwg s LYS 88 CO 0.09 0.09 0.71 0.00 -0.92 0.00 0.00 175.35 175.32 2cwg n GLY 90 N -0.50 2.41 0.18 0.00 0.00 -0.14 -3.11 105.19 104.03 2cwg n GLY 90 Ca -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 2cwg n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cwg h SER 91 N 8.96 0.12 0.00 1.61 0.02 -1.91 0.86 113.55 123.21 2cwg h SER 91 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2cwg h SER 91 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2cwg h SER 91 CO 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 2cwg n GLN 92 N -5.03 0.20 -0.70 3.45 3.00 -1.18 -1.86 117.38 115.26 2cwg n GLN 92 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 2cwg n GLN 92 Cb 0.17 -1.08 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 2cwg n GLN 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2cwg n ALA 93 N 0.26 1.68 -3.48 -1.58 0.00 -0.80 -4.55 120.51 112.04 2cwg n ALA 93 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.93 2cwg n ALA 93 Cb 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.33 2cwg n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwg n GLY 94 N 0.00 -0.42 2.43 0.00 0.00 -0.78 -2.93 105.19 103.49 2cwg n GLY 94 Ca -0.14 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2cwg n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 95 N -1.25 0.46 3.77 -0.02 0.00 0.29 -4.97 105.19 103.47 2cwg n GLY 95 Ca -0.27 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2cwg n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cwg s LYS 96 N -1.36 3.81 0.22 1.61 2.20 -1.15 -4.62 119.74 120.46 2cwg s LYS 96 Ca 0.00 2.19 -0.14 0.00 -0.36 0.00 0.00 55.97 57.66 2cwg s LYS 96 Cb 0.00 -2.66 -0.08 0.00 -1.51 0.00 0.00 37.83 33.58 2cwg s LYS 96 CO 0.00 -0.63 0.63 -0.51 -0.36 0.00 0.00 175.35 174.47 2cwg s LEU 97 N -2.64 4.23 0.48 5.43 1.43 -1.26 -0.97 118.68 125.37 2cwg s LEU 97 Ca 0.60 1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 2cwg s LEU 97 Cb -0.39 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 2cwg s LEU 97 CO 0.49 -0.03 1.02 0.00 0.23 0.00 0.00 176.35 178.07 2cwg s PRO 99 N -3.21 3.67 -1.38 0.00 0.02 -1.26 -3.97 135.00 128.87 2cwg s PRO 99 Ca 0.66 1.38 -0.09 0.00 0.02 0.00 0.00 61.00 62.98 2cwg s PRO 99 Cb -0.15 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.32 2cwg s PRO 99 CO 0.19 -0.54 1.12 0.09 -0.33 0.00 0.00 177.00 177.53 2cwg n ASN 100 N -1.14 -5.59 0.00 2.53 3.02 -1.26 -2.21 115.26 110.60 2cwg n ASN 100 Ca 0.10 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2cwg n ASN 100 Cb 0.52 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 2cwg n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2cwg n ASN 101 N -2.99 -4.30 -4.68 6.41 3.02 -1.25 -4.96 115.26 106.50 2cwg n ASN 101 Ca -0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.20 2cwg n ASN 101 Cb 0.56 -2.34 0.13 0.00 -0.61 0.00 0.00 39.78 37.52 2cwg n ASN 101 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2cwg n LEU 102 N 0.00 4.30 -4.75 3.41 4.77 -0.94 -0.71 117.00 123.09 2cwg n LEU 102 Ca 0.00 0.58 -0.40 0.00 -0.03 0.00 0.00 56.01 56.16 2cwg n LEU 102 Cb 0.28 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 2cwg n LEU 102 CO 0.00 -1.74 0.74 0.00 -1.33 0.00 0.00 177.39 175.06 2cwg s SER 105 N 1.76 2.05 0.46 0.00 1.04 0.21 -0.12 113.70 119.09 2cwg s SER 105 Ca 0.13 0.64 0.13 0.00 0.48 0.00 0.00 55.95 57.32 2cwg s SER 105 Cb -0.17 -0.92 1.06 0.00 0.10 0.00 0.00 66.02 66.09 2cwg s SER 105 CO 0.12 -3.43 2.06 0.06 0.98 0.00 0.00 173.24 173.03 2cwg h GLN 106 N -2.11 0.32 -0.01 4.02 3.07 -1.83 0.16 115.11 118.73 2cwg h GLN 106 Ca -0.47 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.26 2cwg h GLN 106 Cb 1.29 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.78 2cwg h GLN 106 CO 0.42 0.21 -0.08 0.91 0.09 0.00 0.00 178.83 180.38 2cwg n TRP 107 N -4.48 0.00 -1.52 0.06 8.01 -1.26 -4.94 117.44 113.30 2cwg n TRP 107 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 2cwg n TRP 107 Cb 0.19 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 2cwg n TRP 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2cwg n GLY 108 N 1.22 0.97 3.22 6.99 0.00 0.04 -4.91 105.19 112.71 2cwg n GLY 108 Ca 0.17 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2cwg n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cwg s PHE 109 N -2.47 1.59 0.01 1.61 0.08 -1.26 -1.60 117.98 115.94 2cwg s PHE 109 Ca 0.00 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 2cwg s PHE 109 Cb 0.00 -0.93 -0.06 0.00 -0.57 0.00 0.00 43.02 41.47 2cwg s PHE 109 CO 0.00 0.09 0.55 0.00 -0.10 0.00 0.00 175.22 175.76 2cwg n GLY 111 N 2.23 0.99 3.02 0.00 0.00 -0.75 -4.71 105.19 105.97 2cwg n GLY 111 Ca -0.09 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 2cwg n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cwg s LEU 112 N 0.00 1.48 0.00 0.99 2.96 -1.26 -1.25 118.68 121.60 2cwg s LEU 112 Ca 0.00 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2cwg s LEU 112 Cb 0.00 0.49 0.00 0.00 0.50 0.00 0.00 46.19 47.18 2cwg s LEU 112 CO 0.00 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 2cwg n GLY 113 N 2.88 2.72 0.37 7.98 0.00 -1.26 -4.76 105.19 113.12 2cwg n GLY 113 Ca -0.13 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.73 2cwg n GLY 113 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cwg h SER 114 N 0.00 -1.35 -0.34 1.61 0.02 -1.99 0.85 113.55 112.36 2cwg h SER 114 Ca 0.00 0.23 0.10 0.00 -0.84 0.00 0.00 61.79 61.28 2cwg h SER 114 Cb 0.00 0.63 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2cwg h SER 114 CO 0.00 -0.33 0.38 -0.33 -1.14 0.00 0.00 176.83 175.41 2cwg h GLU 115 N -0.23 0.00 0.00 3.45 3.07 -1.93 0.36 114.58 119.30 2cwg h GLU 115 Ca 0.19 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.71 2cwg h GLU 115 Cb 0.56 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 2cwg h GLU 115 CO -0.65 0.00 -2.30 1.19 -1.40 0.00 0.00 179.01 175.85 2cwg n PHE 116 N -3.69 0.00 0.59 4.33 3.01 -0.56 -4.70 117.46 116.44 2cwg n PHE 116 Ca 0.05 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.63 2cwg n PHE 116 Cb 0.54 -0.88 0.04 0.00 -0.01 0.00 0.00 39.48 39.17 2cwg n PHE 116 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cwg n GLY 118 N 1.37 0.75 0.00 0.00 0.00 0.10 0.17 105.19 107.58 2cwg n GLY 118 Ca 0.02 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2cwg n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 119 N 5.00 0.00 0.00 -0.02 0.00 -1.26 -0.90 105.19 108.01 2cwg n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2cwg n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 120 N 0.00 0.47 3.67 -0.02 0.00 -1.26 -4.70 105.19 103.35 2cwg n GLY 120 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2cwg n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n GLN 122 N 4.49 0.70 -3.81 0.00 6.02 0.83 -4.93 117.38 120.68 2cwg n GLN 122 Ca 0.19 0.28 -0.05 0.00 -0.01 0.00 0.00 57.00 57.41 2cwg n GLN 122 Cb 0.28 -1.75 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 2cwg n GLN 122 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2cwg s SER 123 N -6.56 -0.15 0.00 1.08 1.04 -1.25 -4.95 113.70 102.91 2cwg s SER 123 Ca -0.13 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2cwg s SER 123 Cb 0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2cwg s SER 123 CO 0.80 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2cwg n GLY 124 N -0.51 -0.72 2.20 7.32 0.00 -1.25 -1.42 105.19 110.81 2cwg n GLY 124 Ca -0.05 -1.35 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 2cwg n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n ALA 125 N 3.06 5.92 -1.75 4.61 0.00 0.12 -4.90 120.51 127.58 2cwg n ALA 125 Ca 0.00 -2.07 -0.38 0.00 0.00 0.00 0.00 53.44 50.99 2cwg n ALA 125 Cb 0.00 -2.65 0.05 0.00 0.00 0.00 0.00 19.45 16.85 2cwg n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cwg n SER 127 N -1.30 4.24 0.12 0.00 3.41 0.44 -4.32 113.62 116.21 2cwg n SER 127 Ca 0.12 -2.48 0.13 0.00 -0.26 0.00 0.00 58.87 56.38 2cwg n SER 127 Cb 0.46 -0.50 0.33 0.00 -0.26 0.00 0.00 64.21 64.24 2cwg n SER 127 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2cwg h THR 128 N 3.21 0.00 -6.74 6.66 1.35 -1.91 -3.48 112.91 112.00 2cwg h THR 128 Ca 0.00 -0.58 -0.55 0.00 -0.55 0.00 0.00 66.41 64.73 2cwg h THR 128 Cb 1.32 1.53 -0.09 0.00 -1.73 0.00 0.00 68.15 69.17 2cwg h THR 128 CO 0.19 0.00 -0.94 -0.67 -0.25 0.00 0.00 175.52 173.85 2cwg n ASP 129 N -2.40 -0.89 -4.77 5.36 2.03 -1.26 -4.89 116.55 109.74 2cwg n ASP 129 Ca 0.05 -1.15 -0.41 0.00 0.52 0.00 0.00 54.79 53.81 2cwg n ASP 129 Cb 0.45 -2.38 -0.01 0.00 -0.72 0.00 0.00 41.12 38.46 2cwg n ASP 129 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cwg s LYS 130 N -6.92 4.23 0.61 -0.67 1.02 -1.26 -4.92 119.74 111.82 2cwg s LYS 130 Ca 0.12 2.29 -0.17 0.00 0.02 0.00 0.00 55.97 58.23 2cwg s LYS 130 Cb -0.06 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2cwg s LYS 130 CO 0.94 -0.32 1.10 -1.25 -0.92 0.00 0.00 175.35 174.89 2cwg s PRO 131 N -1.95 3.11 0.19 -1.68 0.04 -1.26 -4.47 135.00 128.99 2cwg s PRO 131 Ca 0.51 1.41 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2cwg s PRO 131 Cb -0.41 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 2cwg s PRO 131 CO 0.55 -1.01 0.11 0.00 0.04 0.00 0.00 177.00 176.68 2cwg n GLY 133 N 0.25 -1.81 0.36 0.00 0.00 -0.52 -4.09 105.19 99.39 2cwg n GLY 133 Ca 0.00 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.74 2cwg n GLY 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cwg h LYS 134 N 0.00 0.00 0.00 1.61 2.10 -1.91 0.27 116.57 118.64 2cwg h LYS 134 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2cwg h LYS 134 Cb 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2cwg h LYS 134 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2cwg n ASP 135 N -5.61 0.00 -2.34 7.07 8.00 -1.26 -3.18 116.55 119.23 2cwg n ASP 135 Ca 0.17 0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.54 2cwg n ASP 135 Cb 0.53 -0.33 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2cwg n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cwg n ALA 136 N -1.33 4.45 -1.90 2.24 0.00 0.77 -4.93 120.51 119.81 2cwg n ALA 136 Ca 0.10 -3.68 -0.18 0.00 0.00 0.00 0.00 53.44 49.69 2cwg n ALA 136 Cb 0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 2cwg n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwg n GLY 137 N -0.58 0.77 2.05 0.00 0.00 -1.17 -1.57 105.19 104.69 2cwg n GLY 137 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 2cwg n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 138 N -0.59 0.34 3.76 -0.02 0.00 -0.16 -4.98 105.19 103.53 2cwg n GLY 138 Ca -0.19 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 2cwg n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cwg s ARG 139 N -3.67 3.57 0.31 1.61 1.70 -0.61 -4.67 118.95 117.19 2cwg s ARG 139 Ca 0.00 2.09 0.07 0.00 -0.47 0.00 0.00 55.73 57.42 2cwg s ARG 139 Cb 0.00 -2.45 -0.03 0.00 -0.57 0.00 0.00 34.95 31.90 2cwg s ARG 139 CO 0.00 -0.80 0.30 0.14 -1.08 0.00 0.00 175.30 173.87 2cwg s VAL 140 N -1.36 3.95 0.54 4.99 -7.23 -1.26 -1.43 120.40 118.60 2cwg s VAL 140 Ca 0.65 -1.29 -0.13 0.00 -1.81 0.00 0.00 61.98 59.39 2cwg s VAL 140 Cb -0.36 -3.32 -0.06 0.00 0.56 0.00 0.00 36.38 33.20 2cwg s VAL 140 CO 0.45 -0.22 0.96 0.00 -0.31 0.00 0.00 175.10 175.98 2cwg s THR 142 N -2.80 1.92 -1.20 0.00 -4.23 -1.26 -3.99 115.64 104.07 2cwg s THR 142 Ca 0.56 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2cwg s THR 142 Cb -0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2cwg s THR 142 CO 0.40 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 175.07 2cwg n ASN 143 N -4.35 -4.08 -1.42 3.99 4.13 -1.26 -1.55 115.26 110.72 2cwg n ASN 143 Ca 0.07 0.28 -0.18 0.00 1.68 0.00 0.00 54.58 56.42 2cwg n ASN 143 Cb 0.58 -3.41 -0.08 0.00 -1.54 0.00 0.00 39.78 35.33 2cwg n ASN 143 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2cwg n ASN 144 N -0.51 -5.27 -4.70 6.41 3.02 -1.26 -4.97 115.26 107.97 2cwg n ASN 144 Ca -0.11 0.46 -0.33 0.00 -0.03 0.00 0.00 54.58 54.56 2cwg n ASN 144 Cb 0.46 -4.40 0.12 0.00 -0.61 0.00 0.00 39.78 35.35 2cwg n ASN 144 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2cwg s TYR 145 N -2.67 1.89 0.18 3.10 2.02 -0.60 -0.09 117.35 121.18 2cwg s TYR 145 Ca 0.00 1.66 -0.28 0.00 -0.37 0.00 0.00 57.07 58.08 2cwg s TYR 145 Cb 0.00 -3.45 -0.08 0.00 -0.40 0.00 0.00 41.96 38.03 2cwg s TYR 145 CO 0.00 -2.74 0.86 0.00 -1.57 0.00 0.00 175.55 172.11 2cwg s SER 148 N 1.63 3.36 0.60 0.00 1.04 -0.76 0.13 113.70 119.69 2cwg s SER 148 Ca 0.04 1.22 0.30 0.00 0.48 0.00 0.00 55.95 57.99 2cwg s SER 148 Cb -0.19 -1.87 1.77 0.00 0.10 0.00 0.00 66.02 65.83 2cwg s SER 148 CO 0.09 -2.68 2.17 0.07 0.98 0.00 0.00 173.24 173.87 2cwg h LYS 149 N -1.58 0.00 -0.34 4.02 5.09 -1.78 -1.12 116.57 120.86 2cwg h LYS 149 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.23 2cwg h LYS 149 Cb 1.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.64 2cwg h LYS 149 CO 0.58 0.00 0.00 0.91 -2.09 0.00 0.00 179.45 178.85 2cwg n TRP 150 N -3.74 0.45 -2.08 0.07 7.02 -1.26 -4.93 117.44 112.97 2cwg n TRP 150 Ca -0.01 -0.22 -0.01 0.00 -1.02 0.00 0.00 57.50 56.24 2cwg n TRP 150 Cb 0.22 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.11 2cwg n TRP 150 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2cwg n GLY 151 N 1.15 0.38 3.38 6.99 0.00 -0.42 -4.95 105.19 111.71 2cwg n GLY 151 Ca 0.14 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2cwg n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cwg s SER 152 N -2.95 3.34 0.01 1.61 0.01 -1.26 -1.03 113.70 113.43 2cwg s SER 152 Ca 0.00 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.54 2cwg s SER 152 Cb -0.00 -0.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.82 2cwg s SER 152 CO 0.00 0.25 0.41 0.00 0.41 0.00 0.00 173.24 174.31 2cwg n GLY 154 N 1.77 -1.29 2.76 0.00 0.00 -0.88 -4.97 105.19 102.58 2cwg n GLY 154 Ca -0.14 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 2cwg n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cwg s ILE 155 N -2.77 -0.06 0.00 -0.61 1.01 -1.26 -1.50 121.20 116.01 2cwg s ILE 155 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2cwg s ILE 155 Cb 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 42.38 2cwg s ILE 155 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2cwg n GLY 156 N 4.31 2.85 0.24 6.18 0.00 -1.26 -4.88 105.19 112.63 2cwg n GLY 156 Ca -0.25 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.36 2cwg n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cwg h PRO 157 N 0.00 0.02 0.00 1.61 0.13 -1.99 0.77 132.00 132.54 2cwg h PRO 157 Ca 0.00 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2cwg h PRO 157 Cb 0.00 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 2cwg h PRO 157 CO 0.00 0.15 -0.47 0.78 -0.23 0.00 0.00 178.00 178.23 2cwg h GLY 158 N 0.40 0.00 0.00 1.56 0.00 -1.95 -1.40 103.07 101.68 2cwg h GLY 158 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.99 2cwg h GLY 158 CO 0.02 0.00 -1.95 -1.72 0.00 0.00 0.00 176.54 172.89 2cwg n TYR 159 N -3.86 0.41 1.31 5.60 4.01 -0.17 -4.59 117.16 119.87 2cwg n TYR 159 Ca -0.01 0.18 0.14 0.00 -0.16 0.00 0.00 57.90 58.04 2cwg n TYR 159 Cb 0.51 -1.01 0.54 0.00 -0.31 0.00 0.00 39.34 39.07 2cwg n TYR 159 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cwg n GLY 161 N 1.33 1.55 2.43 0.00 0.00 -0.53 -0.84 105.19 109.14 2cwg n GLY 161 Ca 0.13 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 2cwg n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n ALA 162 N -3.00 -0.44 -1.00 4.61 0.00 -1.26 0.65 120.51 120.07 2cwg n ALA 162 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2cwg n ALA 162 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2cwg n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwg n GLY 163 N 3.87 0.54 3.72 0.00 0.00 -1.26 -4.61 105.19 107.46 2cwg n GLY 163 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 2cwg n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg n GLN 165 N 2.16 0.66 -3.71 0.00 6.02 0.36 -4.93 117.38 117.94 2cwg n GLN 165 Ca 0.10 0.17 -0.06 0.00 -0.01 0.00 0.00 57.00 57.20 2cwg n GLN 165 Cb 0.35 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 2cwg n GLN 165 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2cwg s SER 166 N -5.95 -0.25 0.00 1.08 1.04 -1.25 -4.96 113.70 103.41 2cwg s SER 166 Ca -0.09 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2cwg s SER 166 Cb 0.07 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2cwg s SER 166 CO 0.81 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2cwg n GLY 167 N -0.43 -1.78 2.46 7.32 0.00 -1.26 -0.68 105.19 110.82 2cwg n GLY 167 Ca -0.07 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 2cwg n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cwg n GLY 168 N 0.00 3.37 3.75 -0.02 0.00 0.87 -4.89 105.19 108.27 2cwg n GLY 168 Ca 0.00 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2cwg n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwg s ASP 170 N -1.77 7.36 0.00 0.00 1.01 -0.02 -5.05 116.67 118.20 2cwg s ASP 170 Ca 0.76 2.01 0.00 0.00 0.71 0.00 0.00 52.55 56.03 2cwg s ASP 170 Cb -0.30 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.03 2cwg s ASP 170 CO 0.37 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.30