#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shw n ALA 33 N 0.00 0.70 0.00 3.52 0.00 -1.26 -5.04 120.51 118.43 1shw n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1shw n ALA 33 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1shw n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1shw n ASP 34 N -0.20 1.08 -4.23 0.00 -0.08 -1.26 -5.03 116.55 106.82 1shw n ASP 34 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1shw n ASP 34 Cb 0.00 0.15 -0.16 0.00 2.34 0.00 0.00 41.12 43.45 1shw n ASP 34 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1shw s ARG 35 N -0.91 3.13 -0.30 -0.67 0.52 -1.26 0.21 118.95 119.67 1shw s ARG 35 Ca 0.00 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1shw s ARG 35 Cb 0.00 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 33.00 1shw s ARG 35 CO 0.00 0.06 0.04 0.71 0.02 0.00 0.00 175.30 176.13 1shw s TYR 36 N 0.68 3.19 -0.03 -0.53 1.51 -0.07 -4.96 117.35 117.14 1shw s TYR 36 Ca -0.09 -1.43 -0.28 0.00 -1.01 0.00 0.00 57.07 54.26 1shw s TYR 36 Cb -0.16 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1shw s TYR 36 CO 0.02 -0.70 0.90 0.00 -1.11 0.00 0.00 175.55 174.65 1shw s ALA 37 N 1.38 3.24 -0.19 3.71 0.00 -1.26 -0.75 121.76 127.89 1shw s ALA 37 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1shw s ALA 37 Cb -0.18 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.75 1shw s ALA 37 CO 0.00 -0.24 -0.06 0.08 0.00 0.00 0.00 175.76 175.55 1shw s VAL 38 N 1.06 1.32 -0.63 0.00 1.01 0.37 -4.95 120.40 118.59 1shw s VAL 38 Ca 0.47 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 1shw s VAL 38 Cb -0.20 -1.51 0.08 0.00 0.00 0.00 0.00 36.38 34.76 1shw s VAL 38 CO 0.24 0.07 0.88 -0.31 0.00 0.00 0.00 175.10 175.98 1shw s TYR 39 N 1.53 2.78 -1.17 5.22 1.51 -1.26 0.12 117.35 126.07 1shw s TYR 39 Ca -0.01 -0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 55.22 1shw s TYR 39 Cb -0.16 -4.19 -0.04 0.00 -0.11 0.00 0.00 41.96 37.45 1shw s TYR 39 CO -0.07 -1.53 2.09 1.87 -1.11 0.00 0.00 175.55 176.80 1shw n TRP 40 N 7.28 2.87 -3.91 2.71 -0.00 -0.59 -4.78 117.44 121.03 1shw n TRP 40 Ca -0.05 -2.48 -0.10 0.00 -0.00 0.00 0.00 57.50 54.87 1shw n TRP 40 Cb 0.45 -2.21 -0.10 0.00 -0.00 0.00 0.00 31.31 29.45 1shw n TRP 40 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1shw s ASN 41 N 4.00 0.13 0.08 5.87 2.20 -1.26 -4.13 114.94 121.82 1shw s ASN 41 Ca 0.52 -0.42 0.09 0.00 -0.94 0.00 0.00 52.86 52.11 1shw s ASN 41 Cb 0.14 0.21 0.44 0.00 -2.00 0.00 0.00 41.25 40.04 1shw s ASN 41 CO 0.00 -0.44 1.29 -1.54 -2.94 0.00 0.00 177.10 173.47 1shw n SER 42 N 1.07 0.16 0.11 3.54 3.41 -1.26 -1.73 113.62 118.91 1shw n SER 42 Ca -0.21 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1shw n SER 42 Cb 0.57 -0.59 0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1shw n SER 42 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1shw h SER 43 N 0.00 0.00 -2.61 4.04 0.02 -1.96 -3.44 113.55 109.60 1shw h SER 43 Ca 0.00 -0.08 -0.56 0.00 -0.84 0.00 0.00 61.79 60.31 1shw h SER 43 Cb 0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1shw h SER 43 CO 0.00 0.04 1.18 0.21 -1.14 0.00 0.00 176.83 177.12 1shw s ASN 44 N -5.01 6.32 0.57 3.07 3.84 -0.71 -4.87 114.94 118.15 1shw s ASN 44 Ca 0.04 1.87 0.27 0.00 0.21 0.00 0.00 52.86 55.25 1shw s ASN 44 Cb 0.10 -2.53 1.51 0.00 -0.55 0.00 0.00 41.25 39.78 1shw s ASN 44 CO 0.73 -1.27 2.00 -0.65 -2.79 0.00 0.00 177.10 175.13 1shw h PRO 45 N 11.04 0.00 -0.70 0.43 0.11 -1.89 -0.74 132.00 140.25 1shw h PRO 45 Ca -0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 1shw h PRO 45 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1shw h PRO 45 CO 0.98 0.00 0.30 0.00 -0.21 0.00 0.00 178.00 179.08 1shw h ARG 46 N 0.00 1.01 0.01 1.05 2.47 -1.95 -2.33 114.38 114.64 1shw h ARG 46 Ca 0.19 -0.16 -0.23 0.00 -1.26 0.00 0.00 59.98 58.52 1shw h ARG 46 Cb 0.89 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.00 1shw h ARG 46 CO -0.00 0.81 -1.18 0.74 0.56 0.00 0.00 179.97 180.89 1shw h PHE 47 N 1.00 0.02 0.00 3.04 0.04 -1.48 -3.28 116.94 116.28 1shw h PHE 47 Ca 0.24 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1shw h PHE 47 Cb 0.15 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1shw h PHE 47 CO 0.01 1.02 -0.13 1.96 -0.60 0.00 0.00 178.31 180.57 1shw h GLN 48 N 0.00 0.00 -0.00 1.51 4.20 -1.03 -0.79 115.11 119.00 1shw h GLN 48 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1shw h GLN 48 Cb 1.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.62 1shw h GLN 48 CO 0.12 0.13 -0.01 0.54 -0.67 0.00 0.00 178.83 178.94 1shw n ARG 49 N -3.58 1.04 -0.36 1.46 1.74 -0.91 -4.94 116.66 111.12 1shw n ARG 49 Ca -0.01 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1shw n ARG 49 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1shw n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1shw n GLY 50 N 1.09 0.00 0.63 -0.13 0.00 -0.30 -4.74 105.19 101.74 1shw n GLY 50 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1shw n GLY 50 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1shw n ASP 51 N 0.00 1.69 -4.68 1.61 5.68 -1.26 -4.94 116.55 114.65 1shw n ASP 51 Ca 0.00 -3.71 -0.46 0.00 -0.50 0.00 0.00 54.79 50.12 1shw n ASP 51 Cb 0.00 -0.51 -0.04 0.00 -1.14 0.00 0.00 41.12 39.43 1shw n ASP 51 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1shw n TYR 52 N -1.02 2.38 -3.72 2.11 4.19 -1.25 -4.93 117.16 114.93 1shw n TYR 52 Ca 0.18 0.03 -0.11 0.00 3.31 0.00 0.00 57.90 61.30 1shw n TYR 52 Cb 0.72 -2.65 -0.07 0.00 0.49 0.00 0.00 39.34 37.84 1shw n TYR 52 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 1shw s HIS 53 N 2.83 -0.14 0.02 2.98 -3.43 -1.26 -1.96 115.29 114.32 1shw s HIS 53 Ca 0.86 -0.02 0.03 0.00 -0.80 0.00 0.00 55.06 55.13 1shw s HIS 53 Cb -0.63 0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.65 1shw s HIS 53 CO 0.44 -0.56 -0.11 0.96 -2.00 0.00 0.00 174.74 173.47 1shw s ILE 54 N -2.88 0.84 -0.29 -5.38 -4.36 -0.55 -4.95 121.20 103.64 1shw s ILE 54 Ca -0.03 -0.71 -0.10 0.00 -0.26 0.00 0.00 60.65 59.55 1shw s ILE 54 Cb 0.00 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 1shw s ILE 54 CO -0.05 0.05 0.17 -1.81 0.24 0.00 0.00 174.94 173.54 1shw s ASP 55 N -0.74 5.79 0.35 4.36 1.01 -1.26 -1.02 116.67 125.16 1shw s ASP 55 Ca 0.01 -0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.10 1shw s ASP 55 Cb -0.06 -2.07 -0.06 0.00 1.01 0.00 0.00 42.92 41.74 1shw s ASP 55 CO 0.00 -0.11 0.05 0.68 0.21 0.00 0.00 175.17 176.01 1shw s VAL 56 N 1.70 1.28 0.16 -1.27 -7.23 -0.01 -4.91 120.40 110.12 1shw s VAL 56 Ca 0.06 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.34 1shw s VAL 56 Cb -0.16 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 1shw s VAL 56 CO 0.09 0.00 -0.24 0.00 -0.31 0.00 0.00 175.10 174.64 1shw n ILE 58 N 0.57 1.90 -0.87 0.00 2.08 -1.26 -1.11 119.36 120.66 1shw n ILE 58 Ca -0.15 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.68 1shw n ILE 58 Cb 0.55 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 1shw n ILE 58 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1shw n ASN 59 N 1.59 0.00 -4.62 4.38 3.02 0.18 -4.99 115.26 114.82 1shw n ASN 59 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 1shw n ASN 59 Cb 0.28 -0.25 0.14 0.00 -0.61 0.00 0.00 39.78 39.35 1shw n ASN 59 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1shw s ASP 60 N -2.97 3.38 0.16 6.41 1.01 -0.27 -4.72 116.67 119.67 1shw s ASP 60 Ca 0.00 0.80 0.08 0.00 0.71 0.00 0.00 52.55 54.14 1shw s ASP 60 Cb 0.00 -1.26 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 1shw s ASP 60 CO 0.00 -2.62 -0.17 -0.31 0.21 0.00 0.00 175.17 172.29 1shw s TYR 61 N -3.39 1.69 -0.15 4.23 1.51 0.13 -1.71 117.35 119.66 1shw s TYR 61 Ca 0.66 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1shw s TYR 61 Cb -0.12 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1shw s TYR 61 CO 0.53 0.28 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.87 1shw s LEU 62 N -2.71 2.12 -0.31 -1.29 2.96 0.63 -0.89 118.68 119.18 1shw s LEU 62 Ca 0.15 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1shw s LEU 62 Cb -0.05 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.23 1shw s LEU 62 CO 0.06 0.05 0.03 -1.81 -1.32 0.00 0.00 176.35 173.36 1shw s ASP 63 N 0.96 5.02 -0.21 3.68 1.01 0.07 -0.45 116.67 126.76 1shw s ASP 63 Ca -0.03 -1.25 -0.20 0.00 0.71 0.00 0.00 52.55 51.78 1shw s ASP 63 Cb -0.15 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1shw s ASP 63 CO -0.05 -0.28 0.61 -0.69 0.21 0.00 0.00 175.17 174.96 1shw s VAL 64 N 1.29 5.03 -0.37 -1.27 1.01 0.11 -0.47 120.40 125.73 1shw s VAL 64 Ca -0.04 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 1shw s VAL 64 Cb -0.20 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1shw s VAL 64 CO -0.00 0.10 0.21 -0.36 0.00 0.00 0.00 175.10 175.06 1shw s PHE 65 N 2.00 3.23 0.61 5.22 0.40 0.12 -1.57 117.98 127.99 1shw s PHE 65 Ca 0.27 -0.83 -0.18 0.00 -0.60 0.00 0.00 56.93 55.59 1shw s PHE 65 Cb -0.16 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1shw s PHE 65 CO 0.10 -0.60 1.21 0.00 0.70 0.00 0.00 175.22 176.63 1shw n PRO 67 N -1.74 2.56 -4.81 0.00 -0.04 -1.26 -4.39 135.00 125.32 1shw n PRO 67 Ca 0.14 0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 64.24 1shw n PRO 67 Cb 0.50 -2.72 -0.17 0.00 -0.04 0.00 0.00 33.50 31.07 1shw n PRO 67 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1shw s HIS 68 N 0.72 1.83 0.03 0.54 2.46 -1.26 -4.48 115.29 115.13 1shw s HIS 68 Ca 0.73 -0.69 0.05 0.00 0.47 0.00 0.00 55.06 55.62 1shw s HIS 68 Cb -0.55 -1.28 -0.02 0.00 -0.13 0.00 0.00 32.58 30.60 1shw s HIS 68 CO 0.39 -0.31 -0.15 0.71 -2.47 0.00 0.00 174.74 172.92 1shw s TYR 69 N 0.48 1.29 1.18 3.88 1.51 -0.84 -5.03 117.35 119.82 1shw s TYR 69 Ca -0.15 -0.33 -0.14 0.00 -1.01 0.00 0.00 57.07 55.45 1shw s TYR 69 Cb -0.16 -0.78 0.28 0.00 -0.11 0.00 0.00 41.96 41.19 1shw s TYR 69 CO 0.05 0.03 1.03 -1.21 -1.11 0.00 0.00 175.55 174.34 1shw s GLU 70 N -0.95 -1.00 0.08 -0.62 2.02 -1.26 -4.56 118.70 112.41 1shw s GLU 70 Ca 0.03 0.64 0.15 0.00 0.02 0.00 0.00 54.97 55.81 1shw s GLU 70 Cb -0.07 -1.56 0.67 0.00 0.10 0.00 0.00 34.13 33.26 1shw s GLU 70 CO 0.01 -3.73 1.48 -0.25 0.02 0.00 0.00 175.26 172.80 1shw n ASP 71 N -4.89 0.20 -2.64 -0.19 8.00 -1.26 -3.76 116.55 112.01 1shw n ASP 71 Ca 0.04 0.55 -0.30 0.00 0.71 0.00 0.00 54.79 55.80 1shw n ASP 71 Cb 0.56 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1shw n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1shw n SER 72 N -1.72 6.72 -3.69 -2.24 3.41 -1.26 -4.84 113.62 110.00 1shw n SER 72 Ca 0.03 -3.27 -0.16 0.00 -0.26 0.00 0.00 58.87 55.21 1shw n SER 72 Cb 0.16 -1.23 -0.15 0.00 -0.26 0.00 0.00 64.21 62.73 1shw n SER 72 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1shw s VAL 73 N -2.45 -0.20 -1.24 -3.33 1.01 -1.25 -5.04 120.40 107.91 1shw s VAL 73 Ca 0.58 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1shw s VAL 73 Cb 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.47 1shw s VAL 73 CO -0.23 0.12 0.18 -2.65 0.00 0.00 0.00 175.10 172.52 1shw n PRO 74 N 4.96 0.00 -2.40 2.72 -0.02 -1.26 -4.74 135.00 134.27 1shw n PRO 74 Ca -0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.18 1shw n PRO 74 Cb 0.50 -1.28 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 1shw n PRO 74 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1shw n GLU 75 N -0.59 -1.86 -0.04 -0.52 1.02 -1.26 -4.80 120.64 112.59 1shw n GLU 75 Ca 0.00 0.88 -0.05 0.00 -0.02 0.00 0.00 57.16 57.97 1shw n GLU 75 Cb 0.00 -5.52 -0.05 0.00 -0.02 0.00 0.00 31.44 25.85 1shw n GLU 75 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1shw n ASP 76 N -1.93 3.24 -0.39 1.62 8.00 -1.26 -4.37 116.55 121.46 1shw n ASP 76 Ca -0.21 -0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.39 1shw n ASP 76 Cb 0.66 0.27 0.38 0.00 -0.02 0.00 0.00 41.12 42.41 1shw n ASP 76 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1shw n LYS 77 N -2.52 1.25 -2.29 -1.24 5.02 -1.26 -4.86 118.16 112.26 1shw n LYS 77 Ca -0.14 -0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 54.94 1shw n LYS 77 Cb 0.71 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 1shw n LYS 77 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1shw s THR 78 N -2.29 3.87 -0.02 -0.18 2.01 -1.26 -5.01 115.64 112.76 1shw s THR 78 Ca 0.29 1.23 -0.17 0.00 0.31 0.00 0.00 61.69 63.35 1shw s THR 78 Cb 0.20 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 1shw s THR 78 CO 0.45 -0.01 0.46 -1.61 -0.69 0.00 0.00 174.62 173.22 1shw s GLU 79 N 2.39 4.09 0.01 4.92 2.02 -1.26 -5.00 118.70 125.87 1shw s GLU 79 Ca 0.62 0.49 0.02 0.00 0.02 0.00 0.00 54.97 56.11 1shw s GLU 79 Cb -0.29 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 1shw s GLU 79 CO 0.25 0.54 -0.07 1.03 0.02 0.00 0.00 175.26 177.03 1shw s ARG 80 N -0.64 0.50 0.08 1.61 0.52 -1.26 -4.67 118.95 115.10 1shw s ARG 80 Ca 0.25 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.96 1shw s ARG 80 Cb -0.17 -0.41 -0.01 0.00 0.52 0.00 0.00 34.95 34.88 1shw s ARG 80 CO 0.14 0.10 0.16 0.71 0.02 0.00 0.00 175.30 176.43 1shw s TYR 81 N -0.61 0.19 -0.10 -0.53 2.02 -0.97 -1.19 117.35 116.16 1shw s TYR 81 Ca -0.02 -0.62 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 1shw s TYR 81 Cb -0.05 -0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.40 1shw s TYR 81 CO 0.00 -0.51 -0.16 0.08 -1.57 0.00 0.00 175.55 173.38 1shw s VAL 82 N -3.77 2.78 -0.10 0.71 1.01 -0.80 -0.14 120.40 120.09 1shw s VAL 82 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1shw s VAL 82 Cb 0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1shw s VAL 82 CO -0.10 0.55 -0.05 -0.76 0.00 0.00 0.00 175.10 174.74 1shw s LEU 83 N 0.07 3.25 0.08 3.92 1.43 0.18 -2.04 118.68 125.58 1shw s LEU 83 Ca -0.07 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1shw s LEU 83 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1shw s LEU 83 CO 0.05 0.30 -0.23 -0.31 0.23 0.00 0.00 176.35 176.39 1shw s TYR 84 N -0.40 1.95 -0.25 0.29 1.51 -0.23 0.62 117.35 120.85 1shw s TYR 84 Ca 0.06 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.62 1shw s TYR 84 Cb -0.12 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1shw s TYR 84 CO 0.02 0.19 0.18 1.41 -1.11 0.00 0.00 175.55 176.24 1shw s MET 85 N -1.65 4.05 0.34 -0.62 -2.45 -0.48 -1.77 119.30 116.72 1shw s MET 85 Ca 0.09 -0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.30 1shw s MET 85 Cb -0.10 -3.56 -0.04 0.00 1.25 0.00 0.00 34.83 32.38 1shw s MET 85 CO 0.04 0.01 0.11 0.14 1.05 0.00 0.00 175.02 176.37 1shw s VAL 86 N 1.20 0.72 0.79 10.11 -7.23 -0.13 -0.71 120.40 125.15 1shw s VAL 86 Ca 0.08 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 1shw s VAL 86 Cb -0.14 -2.55 0.16 0.00 0.56 0.00 0.00 36.38 34.40 1shw s VAL 86 CO 0.06 0.00 1.09 0.54 -0.31 0.00 0.00 175.10 176.48 1shw s ASN 87 N -3.48 3.95 0.17 4.85 4.22 -0.76 -3.78 114.94 120.10 1shw s ASN 87 Ca 0.32 -0.29 -0.14 0.00 -2.14 0.00 0.00 52.86 50.61 1shw s ASN 87 Cb 0.06 0.05 0.11 0.00 1.28 0.00 0.00 41.25 42.74 1shw s ASN 87 CO 0.15 -2.15 1.78 0.15 -2.04 0.00 0.00 177.10 175.00 1shw h PHE 88 N -0.84 0.43 -0.71 1.54 3.57 -1.95 0.52 116.94 119.50 1shw h PHE 88 Ca -0.37 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 1shw h PHE 88 Cb 1.25 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1shw h PHE 88 CO -0.50 0.21 0.39 -0.44 -2.23 0.00 0.00 178.31 175.74 1shw h ASP 89 N 0.46 0.89 -0.71 0.41 3.45 -1.97 0.49 116.42 119.44 1shw h ASP 89 Ca 0.20 -0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 1shw h ASP 89 Cb 0.11 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 1shw h ASP 89 CO -0.14 0.72 0.26 1.23 -1.57 0.00 0.00 179.24 179.74 1shw h GLY 90 N 0.98 1.18 0.90 2.75 0.00 -1.66 -1.00 103.07 106.22 1shw h GLY 90 Ca 0.25 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1shw h GLY 90 CO -0.04 0.62 0.09 -1.82 0.00 0.00 0.00 176.54 175.39 1shw h TYR 91 N 1.07 0.34 -0.58 5.60 3.20 0.04 0.81 116.97 127.44 1shw h TYR 91 Ca 0.24 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1shw h TYR 91 Cb 0.25 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1shw h TYR 91 CO 0.02 0.37 0.24 1.03 -1.64 0.00 0.00 178.16 178.19 1shw h SER 92 N 0.20 0.76 0.04 -2.11 0.87 0.33 -3.04 113.55 110.61 1shw h SER 92 Ca 0.07 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1shw h SER 92 Cb 0.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1shw h SER 92 CO -0.01 0.68 -0.37 0.00 -0.53 0.00 0.00 176.83 176.61 1shw n ALA 93 N -2.45 3.32 -3.37 6.23 0.00 -0.41 -4.96 120.51 118.87 1shw n ALA 93 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 52.73 1shw n ALA 93 Cb 0.16 -0.89 0.08 0.00 0.00 0.00 0.00 19.45 18.79 1shw n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shw s ASP 95 N -3.77 1.36 0.17 0.00 2.15 -0.36 -4.96 116.67 111.26 1shw s ASP 95 Ca 0.25 -0.01 0.18 0.00 0.43 0.00 0.00 52.55 53.40 1shw s ASP 95 Cb -0.11 -0.30 -0.03 0.00 -0.30 0.00 0.00 42.92 42.18 1shw s ASP 95 CO 0.65 -0.22 1.05 1.12 -0.17 0.00 0.00 175.17 177.60 1shw h HIS 96 N 8.35 0.00 -0.99 -5.34 2.07 -1.91 -3.39 115.15 113.94 1shw h HIS 96 Ca -0.17 0.00 -0.82 0.00 -2.85 0.00 0.00 60.37 56.53 1shw h HIS 96 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1shw h HIS 96 CO 0.48 0.37 0.86 2.41 -3.07 0.00 0.00 177.93 178.98 1shw n THR 97 N -2.91 0.08 -0.84 6.12 -1.04 -1.26 -0.17 114.28 114.25 1shw n THR 97 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1shw n THR 97 Cb 0.72 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1shw n THR 97 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1shw n SER 98 N 5.03 -4.10 -0.40 8.00 7.64 -1.26 -4.69 113.62 123.84 1shw n SER 98 Ca 0.34 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.24 1shw n SER 98 Cb -0.00 -3.18 0.03 0.00 -1.01 0.00 0.00 64.21 60.04 1shw n SER 98 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1shw n LYS 99 N 0.05 0.28 -3.78 1.43 4.01 0.76 -5.09 118.16 115.81 1shw n LYS 99 Ca 0.00 -1.31 -0.04 0.00 -0.51 0.00 0.00 58.31 56.45 1shw n LYS 99 Cb 0.34 -0.71 -0.01 0.00 -0.51 0.00 0.00 35.03 34.14 1shw n LYS 99 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1shw s GLY 100 N -1.36 -0.17 -0.05 0.72 0.00 -0.10 -1.83 107.32 104.53 1shw s GLY 100 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 44.72 44.85 1shw s GLY 100 CO 0.01 0.11 -0.23 -1.36 0.00 0.00 0.00 173.10 171.62 1shw s PHE 101 N -3.30 2.47 0.14 1.90 0.40 0.11 -4.92 117.98 114.78 1shw s PHE 101 Ca 0.13 -0.62 -0.31 0.00 -0.60 0.00 0.00 56.93 55.52 1shw s PHE 101 Cb -0.02 -1.60 -0.09 0.00 0.51 0.00 0.00 43.02 41.82 1shw s PHE 101 CO 0.03 -0.15 1.50 0.21 0.70 0.00 0.00 175.22 177.52 1shw s LYS 102 N -0.26 4.25 -0.06 0.44 2.20 -1.26 -1.38 119.74 123.66 1shw s LYS 102 Ca -0.00 2.25 -0.10 0.00 -0.36 0.00 0.00 55.97 57.75 1shw s LYS 102 Cb -0.13 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1shw s LYS 102 CO 0.03 -0.55 -0.20 -2.13 -0.36 0.00 0.00 175.35 172.14 1shw n ARG 103 N 4.00 0.31 -4.20 4.03 3.00 0.20 -4.88 116.66 119.12 1shw n ARG 103 Ca 0.13 0.12 -0.12 0.00 -0.00 0.00 0.00 57.85 57.98 1shw n ARG 103 Cb 0.40 -1.04 -0.10 0.00 0.00 0.00 0.00 32.46 31.72 1shw n ARG 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1shw s TRP 104 N -2.52 1.04 -0.18 -0.14 0.51 -0.81 -4.97 118.94 111.87 1shw s TRP 104 Ca -0.17 -0.89 -0.01 0.00 -2.12 0.00 0.00 56.10 52.91 1shw s TRP 104 Cb 0.02 -0.58 0.05 0.00 -0.81 0.00 0.00 33.47 32.15 1shw s TRP 104 CO 0.25 -0.10 -0.03 -1.21 -0.51 0.00 0.00 176.95 175.34 1shw s GLU 105 N -3.83 1.30 -1.19 4.98 2.02 -1.26 0.49 118.70 121.21 1shw s GLU 105 Ca 0.15 -0.58 -0.13 0.00 0.02 0.00 0.00 54.97 54.43 1shw s GLU 105 Cb 0.05 -2.12 0.18 0.00 0.10 0.00 0.00 34.13 32.34 1shw s GLU 105 CO -0.02 -0.51 1.39 0.00 0.02 0.00 0.00 175.26 176.15 1shw n ASN 107 N 5.29 2.82 -3.35 0.00 0.23 -1.26 -2.29 115.26 116.70 1shw n ASN 107 Ca 0.35 -2.33 -0.26 0.00 -0.53 0.00 0.00 54.58 51.81 1shw n ASN 107 Cb 0.42 -0.26 -0.08 0.00 -2.08 0.00 0.00 39.78 37.79 1shw n ASN 107 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1shw n ARG 108 N -0.16 1.74 0.00 -3.83 1.74 -1.26 -4.93 116.66 109.96 1shw n ARG 108 Ca 0.11 -4.07 0.03 0.00 -0.77 0.00 0.00 57.85 53.15 1shw n ARG 108 Cb 0.50 -1.84 0.16 0.00 -1.02 0.00 0.00 32.46 30.26 1shw n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1shw n PRO 109 N 1.15 0.18 -2.10 5.56 -0.04 -1.26 -2.27 135.00 136.21 1shw n PRO 109 Ca 0.26 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.68 1shw n PRO 109 Cb 0.46 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 1shw n PRO 109 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1shw n HIS 110 N -0.97 1.16 -1.21 0.54 8.25 -1.26 -1.98 115.22 119.75 1shw n HIS 110 Ca 0.04 -1.71 -0.33 0.00 -0.26 0.00 0.00 57.72 55.46 1shw n HIS 110 Cb 0.02 -0.24 0.11 0.00 1.12 0.00 0.00 29.99 31.00 1shw n HIS 110 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1shw s SER 111 N -3.29 3.89 0.00 0.41 1.04 -0.96 -5.02 113.70 109.77 1shw s SER 111 Ca 0.35 2.22 0.00 0.00 0.48 0.00 0.00 55.95 59.00 1shw s SER 111 Cb 0.36 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1shw s SER 111 CO -0.06 -2.46 0.00 -0.81 0.98 0.00 0.00 173.24 170.90 1shw n PRO 112 N -3.26 0.00 -1.52 4.02 -0.04 -1.26 -4.40 135.00 128.54 1shw n PRO 112 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1shw n PRO 112 Cb 0.51 -0.05 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 1shw n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1shw n ASN 113 N 0.00 1.07 -0.27 3.54 4.13 -1.26 -4.77 115.26 117.69 1shw n ASN 113 Ca 0.00 -2.06 0.00 0.00 1.68 0.00 0.00 54.58 54.20 1shw n ASN 113 Cb 0.00 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.66 1shw n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1shw n GLY 114 N 6.16 -0.47 3.76 7.41 0.00 -1.26 -4.84 105.19 115.95 1shw n GLY 114 Ca 0.40 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1shw n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1shw s PRO 115 N 0.00 3.50 0.37 1.61 0.02 -1.26 -4.52 135.00 134.72 1shw s PRO 115 Ca 0.00 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 1shw s PRO 115 Cb 0.00 -2.42 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 1shw s PRO 115 CO 0.00 -0.86 1.39 -1.17 -0.33 0.00 0.00 177.00 176.03 1shw s LEU 116 N -3.12 4.32 -0.02 -5.54 0.20 -1.26 -4.80 118.68 108.45 1shw s LEU 116 Ca 0.66 2.85 0.03 0.00 0.69 0.00 0.00 54.13 58.37 1shw s LEU 116 Cb -0.37 -3.73 -0.01 0.00 -0.43 0.00 0.00 46.19 41.66 1shw s LEU 116 CO 0.45 -0.79 -0.12 -0.75 -0.29 0.00 0.00 176.35 174.85 1shw s LYS 117 N -2.06 1.06 0.07 1.98 2.20 -1.26 -1.29 119.74 120.44 1shw s LYS 117 Ca 0.53 -0.41 0.09 0.00 -0.36 0.00 0.00 55.97 55.82 1shw s LYS 117 Cb -0.43 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 1shw s LYS 117 CO 0.57 0.22 -0.25 -0.06 -0.36 0.00 0.00 175.35 175.47 1shw s PHE 118 N -0.11 2.15 0.03 4.03 0.40 -0.61 -4.97 117.98 118.89 1shw s PHE 118 Ca 0.02 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1shw s PHE 118 Cb -0.06 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1shw s PHE 118 CO 0.00 0.17 -0.14 -1.12 0.70 0.00 0.00 175.22 174.83 1shw s SER 119 N -1.46 1.66 -0.07 1.36 0.01 -1.26 0.08 113.70 114.03 1shw s SER 119 Ca 0.11 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1shw s SER 119 Cb -0.10 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1shw s SER 119 CO 0.03 0.07 -0.09 -0.70 0.41 0.00 0.00 173.24 172.96 1shw s GLU 120 N -0.93 1.42 -0.22 12.44 2.56 0.41 -4.96 118.70 129.42 1shw s GLU 120 Ca 0.03 -0.29 -0.09 0.00 0.00 0.00 0.00 54.97 54.62 1shw s GLU 120 Cb -0.07 -1.29 -0.04 0.00 2.00 0.00 0.00 34.13 34.72 1shw s GLU 120 CO 0.01 -0.07 0.12 0.21 -0.56 0.00 0.00 175.26 174.96 1shw s LYS 121 N 0.98 3.98 -1.44 4.30 2.20 -1.26 -0.27 119.74 128.24 1shw s LYS 121 Ca -0.09 -0.32 -0.13 0.00 -0.36 0.00 0.00 55.97 55.07 1shw s LYS 121 Cb -0.15 -3.41 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1shw s LYS 121 CO 0.00 0.09 2.21 1.19 -0.36 0.00 0.00 175.35 178.48 1shw n PHE 122 N 4.14 3.38 -2.95 4.03 3.72 -0.70 -4.93 117.46 124.16 1shw n PHE 122 Ca -0.16 -2.95 -0.29 0.00 -0.05 0.00 0.00 57.45 54.00 1shw n PHE 122 Cb 0.52 -2.45 -0.02 0.00 -0.94 0.00 0.00 39.48 36.59 1shw n PHE 122 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1shw s GLN 123 N 2.65 3.68 -0.03 -1.08 -2.07 -1.26 0.48 119.66 122.03 1shw s GLN 123 Ca 0.47 0.26 -0.20 0.00 -1.82 0.00 0.00 55.36 54.07 1shw s GLN 123 Cb 0.14 -2.46 -0.32 0.00 -1.09 0.00 0.00 33.01 29.27 1shw s GLN 123 CO -0.07 -0.00 0.90 -0.07 -1.32 0.00 0.00 175.29 174.73 1shw h LEU 124 N 1.12 0.57 -7.96 2.60 3.38 -1.91 0.13 115.31 113.24 1shw h LEU 124 Ca -0.47 -0.94 -0.53 0.00 0.09 0.00 0.00 57.88 56.03 1shw h LEU 124 Cb 1.19 -0.19 -0.34 0.00 0.09 0.00 0.00 40.66 41.42 1shw h LEU 124 CO 0.64 1.50 -0.82 -0.36 0.09 0.00 0.00 178.44 179.49 1shw s PHE 125 N -2.48 1.55 -0.01 1.13 0.40 -1.26 -4.29 117.98 113.02 1shw s PHE 125 Ca -0.13 -0.62 -0.26 0.00 -0.60 0.00 0.00 56.93 55.32 1shw s PHE 125 Cb 0.02 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1shw s PHE 125 CO 0.86 -0.33 0.83 0.99 0.70 0.00 0.00 175.22 178.27 1shw s THR 126 N 0.81 4.89 -2.16 0.64 2.01 -1.26 -4.93 115.64 115.65 1shw s THR 126 Ca -0.12 1.74 0.30 0.00 0.31 0.00 0.00 61.69 63.92 1shw s THR 126 Cb -0.15 -4.17 0.76 0.00 0.01 0.00 0.00 72.50 68.95 1shw s THR 126 CO 0.02 0.24 2.03 -0.81 -0.69 0.00 0.00 174.62 175.41 1shw n PRO 127 N 3.57 1.22 -4.91 4.92 -0.04 -1.26 -4.78 135.00 133.72 1shw n PRO 127 Ca 0.01 -0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 62.88 1shw n PRO 127 Cb 0.51 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 1shw n PRO 127 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1shw s PHE 128 N -1.99 1.95 0.08 0.54 2.19 -1.26 -5.10 117.98 114.39 1shw s PHE 128 Ca 0.43 -0.38 -0.35 0.00 0.33 0.00 0.00 56.93 56.96 1shw s PHE 128 Cb 0.21 -1.21 -0.19 0.00 -1.31 0.00 0.00 43.02 40.52 1shw s PHE 128 CO 0.35 0.03 0.87 0.45 1.83 0.00 0.00 175.22 178.74 1shw n SER 129 N 2.22 -0.41 -2.12 6.13 2.88 -1.26 -1.55 113.62 119.51 1shw n SER 129 Ca -0.16 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1shw n SER 129 Cb 0.53 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1shw n SER 129 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1shw n LEU 130 N 1.72 0.00 0.00 2.46 4.77 -1.26 -4.90 117.00 119.78 1shw n LEU 130 Ca 0.19 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1shw n LEU 130 Cb 0.15 -0.84 0.10 0.00 -2.33 0.00 0.00 43.42 40.51 1shw n LEU 130 CO 0.59 0.00 0.19 0.61 -1.33 0.00 0.00 177.39 177.45 1shw n GLY 131 N -0.39 -3.09 3.68 -0.72 0.00 -0.59 -4.97 105.19 99.10 1shw n GLY 131 Ca 0.00 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1shw n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shw s PHE 132 N -1.61 3.37 0.09 1.61 0.40 -1.26 -4.92 117.98 115.67 1shw s PHE 132 Ca 0.26 0.53 0.07 0.00 -0.60 0.00 0.00 56.93 57.19 1shw s PHE 132 Cb -0.03 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1shw s PHE 132 CO 0.21 0.04 -0.13 -1.21 0.70 0.00 0.00 175.22 174.83 1shw s GLU 133 N 1.13 2.06 0.16 0.44 2.02 -1.26 -4.64 118.70 118.61 1shw s GLU 133 Ca 0.16 -1.04 0.07 0.00 0.02 0.00 0.00 54.97 54.18 1shw s GLU 133 Cb -0.14 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 1shw s GLU 133 CO 0.07 0.51 -0.15 -0.06 0.02 0.00 0.00 175.26 175.65 1shw s PHE 134 N -1.14 1.60 0.01 1.61 0.40 0.45 -5.00 117.98 115.91 1shw s PHE 134 Ca 0.19 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1shw s PHE 134 Cb -0.11 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1shw s PHE 134 CO 0.11 0.26 -0.13 1.03 0.70 0.00 0.00 175.22 177.19 1shw s ARG 135 N -3.16 0.97 0.47 0.44 1.81 -1.26 -4.25 118.95 113.97 1shw s ARG 135 Ca 0.16 -0.60 -0.24 0.00 -1.72 0.00 0.00 55.73 53.33 1shw s ARG 135 Cb -0.03 -0.96 -0.08 0.00 -0.45 0.00 0.00 34.95 33.44 1shw s ARG 135 CO 0.05 0.25 1.32 -2.30 -0.68 0.00 0.00 175.30 173.94 1shw n PRO 136 N 2.33 1.91 -0.98 3.54 -0.02 -1.26 -2.66 135.00 137.86 1shw n PRO 136 Ca -0.16 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1shw n PRO 136 Cb 0.55 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1shw n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1shw n GLY 137 N 0.76 0.53 3.71 -1.23 0.00 0.27 -4.75 105.19 104.48 1shw n GLY 137 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1shw n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shw s ARG 138 N -0.29 2.53 -0.02 1.61 3.00 -1.06 -4.90 118.95 119.82 1shw s ARG 138 Ca 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 55.73 54.56 1shw s ARG 138 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 34.95 32.56 1shw s ARG 138 CO 0.00 0.41 -0.08 -1.21 0.00 0.00 0.00 175.30 174.42 1shw s GLU 139 N -3.46 2.58 0.10 3.54 2.02 -1.26 -0.80 118.70 121.42 1shw s GLU 139 Ca 0.31 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.67 1shw s GLU 139 Cb -0.08 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 1shw s GLU 139 CO 0.21 0.62 -0.16 0.71 0.02 0.00 0.00 175.26 176.66 1shw s TYR 140 N -0.93 1.46 0.03 1.61 1.51 0.14 -4.96 117.35 116.20 1shw s TYR 140 Ca 0.15 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1shw s TYR 140 Cb -0.11 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1shw s TYR 140 CO 0.06 0.15 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.49 1shw s PHE 141 N -1.64 0.74 -0.01 2.71 0.40 -1.25 0.59 117.98 119.53 1shw s PHE 141 Ca 0.05 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1shw s PHE 141 Cb -0.08 -0.45 -0.00 0.00 0.51 0.00 0.00 43.02 43.00 1shw s PHE 141 CO 0.03 -0.03 -0.08 0.71 0.70 0.00 0.00 175.22 176.55 1shw s TYR 142 N -0.87 0.73 0.14 0.36 1.51 0.12 -0.95 117.35 118.39 1shw s TYR 142 Ca -0.04 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1shw s TYR 142 Cb -0.07 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.26 1shw s TYR 142 CO 0.00 -0.02 0.03 0.96 -1.11 0.00 0.00 175.55 175.41 1shw s ILE 143 N -0.13 0.35 0.09 2.71 -4.36 -0.73 0.13 121.20 119.27 1shw s ILE 143 Ca 0.02 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1shw s ILE 143 Cb -0.04 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1shw s ILE 143 CO -0.00 -0.51 -0.08 -0.94 0.24 0.00 0.00 174.94 173.65 1shw s SER 144 N -3.09 1.20 -0.06 4.36 1.04 -0.76 -1.07 113.70 115.32 1shw s SER 144 Ca 0.23 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.77 1shw s SER 144 Cb 0.07 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1shw s SER 144 CO 0.02 -0.39 -0.13 -0.94 0.98 0.00 0.00 173.24 172.78 1shw s SER 145 N -2.75 1.87 0.36 7.02 1.04 -0.86 -4.27 113.70 116.11 1shw s SER 145 Ca 0.08 -0.31 -0.28 0.00 0.48 0.00 0.00 55.95 55.92 1shw s SER 145 Cb 0.02 -0.80 -0.10 0.00 0.10 0.00 0.00 66.02 65.23 1shw s SER 145 CO -0.03 0.06 1.35 0.00 0.98 0.00 0.00 173.24 175.60 1shw s ALA 146 N 0.53 3.48 -0.02 5.32 0.00 -1.26 -1.90 121.76 127.91 1shw s ALA 146 Ca -0.13 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.96 1shw s ALA 146 Cb -0.15 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.32 1shw s ALA 146 CO 0.04 -0.78 0.95 0.82 0.00 0.00 0.00 175.76 176.78 1shw h ILE 147 N 2.92 0.37 0.00 0.00 2.04 -1.49 -2.62 117.51 118.73 1shw h ILE 147 Ca -0.50 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1shw h ILE 147 Cb 1.23 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1shw h ILE 147 CO 0.65 0.08 0.00 -0.81 0.00 0.00 0.00 178.15 178.06 1shw n PRO 148 N -5.15 0.10 -2.11 2.37 -0.04 -1.26 -4.90 135.00 124.01 1shw n PRO 148 Ca -0.09 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1shw n PRO 148 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1shw n PRO 148 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1shw n ASP 150 N -1.17 -8.43 -0.10 3.54 -0.08 -0.99 -5.00 116.55 104.33 1shw n ASP 150 Ca 0.03 1.44 -0.12 0.00 -1.51 0.00 0.00 54.79 54.63 1shw n ASP 150 Cb 0.03 -4.90 -0.12 0.00 2.34 0.00 0.00 41.12 38.47 1shw n ASP 150 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1shw n ASN 151 N 1.94 1.43 0.00 1.67 3.02 -1.26 -4.98 115.26 117.08 1shw n ASN 151 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1shw n ASN 151 Cb 0.00 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1shw n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1shw n GLY 152 N 2.16 0.00 2.60 7.41 0.00 -1.26 -4.94 105.19 111.17 1shw n GLY 152 Ca -0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1shw n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shw n ARG 153 N 0.00 -1.33 0.00 1.61 1.74 -1.26 -4.96 116.66 112.46 1shw n ARG 153 Ca 0.00 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1shw n ARG 153 Cb 0.00 -5.05 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 1shw n ARG 153 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1shw n ARG 154 N -1.51 0.00 -2.19 5.56 1.74 -1.26 -4.62 116.66 114.38 1shw n ARG 154 Ca -0.11 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.66 1shw n ARG 154 Cb 0.50 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.89 1shw n ARG 154 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1shw s SER 155 N -1.50 5.50 0.87 0.55 0.01 -1.26 -4.85 113.70 113.03 1shw s SER 155 Ca 0.00 -1.33 -0.11 0.00 1.31 0.00 0.00 55.95 55.82 1shw s SER 155 Cb 0.00 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.77 1shw s SER 155 CO 0.00 -2.49 1.10 0.00 0.41 0.00 0.00 173.24 172.26 1shw s LEU 157 N -6.29 4.61 0.11 0.00 1.43 -1.26 -4.93 118.68 112.35 1shw s LEU 157 Ca 0.64 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 1shw s LEU 157 Cb -0.20 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.40 1shw s LEU 157 CO 0.57 0.14 0.26 -1.59 0.23 0.00 0.00 176.35 175.96 1shw s LYS 158 N -1.29 0.95 -0.04 1.70 -2.85 -1.26 -1.82 119.74 115.13 1shw s LYS 158 Ca 0.42 -0.93 -0.03 0.00 -1.00 0.00 0.00 55.97 54.43 1shw s LYS 158 Cb -0.25 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 35.92 1shw s LYS 158 CO 0.30 -0.33 0.10 -1.17 0.10 0.00 0.00 175.35 174.36 1shw s LEU 159 N -2.86 1.25 -0.11 2.77 2.96 0.12 -4.54 118.68 118.27 1shw s LEU 159 Ca 0.06 0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1shw s LEU 159 Cb 0.04 0.28 -0.02 0.00 0.50 0.00 0.00 46.19 46.98 1shw s LEU 159 CO -0.10 -0.09 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.00 1shw s LYS 160 N 0.58 3.16 -0.16 1.98 2.20 -0.83 -0.70 119.74 125.97 1shw s LYS 160 Ca -0.04 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1shw s LYS 160 Cb -0.06 -2.64 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 1shw s LYS 160 CO -0.02 0.39 -0.12 0.08 -0.36 0.00 0.00 175.35 175.31 1shw s VAL 161 N -0.08 2.93 -0.33 4.02 1.01 0.20 -1.48 120.40 126.67 1shw s VAL 161 Ca -0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1shw s VAL 161 Cb -0.14 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1shw s VAL 161 CO 0.03 0.50 0.11 0.12 0.00 0.00 0.00 175.10 175.86 1shw s PHE 162 N 0.84 3.22 -0.43 5.22 5.36 -0.19 0.24 117.98 132.24 1shw s PHE 162 Ca -0.04 -1.26 -0.24 0.00 -0.96 0.00 0.00 56.93 54.42 1shw s PHE 162 Cb -0.15 -2.28 0.02 0.00 -0.34 0.00 0.00 43.02 40.27 1shw s PHE 162 CO 0.00 -0.68 0.86 0.08 -1.46 0.00 0.00 175.22 174.02 1shw s VAL 163 N 1.44 4.58 0.59 3.12 1.01 0.01 -0.83 120.40 130.32 1shw s VAL 163 Ca -0.00 0.76 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 1shw s VAL 163 Cb -0.19 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1shw s VAL 163 CO 0.03 -0.68 1.33 0.54 0.00 0.00 0.00 175.10 176.31 1shw n ARG 164 N 6.85 1.46 -0.97 2.72 1.74 0.13 0.96 116.66 129.56 1shw n ARG 164 Ca 0.05 0.55 -0.31 0.00 -0.77 0.00 0.00 57.85 57.36 1shw n ARG 164 Cb 0.48 -2.55 0.13 0.00 -1.02 0.00 0.00 32.46 29.50 1shw n ARG 164 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1shw s PRO 165 N -3.07 1.61 0.36 5.56 0.04 -1.26 -2.83 135.00 135.40 1shw s PRO 165 Ca 0.76 1.37 0.06 0.00 0.04 0.00 0.00 61.00 63.23 1shw s PRO 165 Cb -0.40 -1.81 0.74 0.00 0.04 0.00 0.00 34.50 33.07 1shw s PRO 165 CO 0.46 -2.16 1.95 1.79 0.04 0.00 0.00 177.00 179.08 1shw h THR 166 N -1.52 1.01 -0.62 1.26 1.35 -1.94 -1.56 112.91 110.89 1shw h THR 166 Ca -0.43 -0.26 0.05 0.00 -0.55 0.00 0.00 66.41 65.21 1shw h THR 166 Cb 1.25 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.82 1shw h THR 166 CO 0.46 0.14 0.41 -1.13 -0.25 0.00 0.00 175.52 175.15 1shw h ASN 167 N 0.76 0.59 0.61 5.36 -1.24 -1.90 -2.69 115.58 117.06 1shw h ASN 167 Ca 0.32 -0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.08 1shw h ASN 167 Cb 0.28 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1shw h ASN 167 CO -0.11 0.39 -1.10 0.28 -1.29 0.00 0.00 177.43 175.61 1shw h SER 168 N 0.68 0.37 -0.56 1.15 0.02 -1.63 -3.40 113.55 110.18 1shw h SER 168 Ca 0.26 -0.36 -0.68 0.00 -0.84 0.00 0.00 61.79 60.17 1shw h SER 168 Cb 0.17 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1shw h SER 168 CO -0.07 1.23 2.46 0.00 -1.14 0.00 0.00 176.83 179.31