#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcm n GLU 29 N 0.00 -2.51 -4.31 5.31 4.07 -0.47 -4.97 120.64 117.76 3kcm n GLU 29 Ca 0.00 0.30 -0.22 0.00 -0.06 0.00 0.00 57.16 57.18 3kcm n GLU 29 Cb 0.00 -4.81 -0.11 0.00 -0.06 0.00 0.00 31.44 26.45 3kcm n GLU 29 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 3kcm s ASN 30 N -1.98 2.56 0.26 4.31 0.01 -1.26 -4.93 114.94 113.92 3kcm s ASN 30 Ca 0.00 -0.83 -0.31 0.00 -0.71 0.00 0.00 52.86 51.02 3kcm s ASN 30 Cb 0.00 -0.14 -0.13 0.00 0.41 0.00 0.00 41.25 41.39 3kcm s ASN 30 CO 0.00 -0.04 1.41 -2.65 -1.51 0.00 0.00 177.10 174.32 3kcm n PRO 31 N 0.45 2.13 -2.41 -0.60 -0.02 -1.26 -2.12 135.00 131.17 3kcm n PRO 31 Ca -0.14 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 3kcm n PRO 31 Cb 0.56 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3kcm n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kcm s ALA 32 N -0.20 3.37 0.40 3.55 0.00 -0.47 -4.84 121.76 123.58 3kcm s ALA 32 Ca 0.66 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 3kcm s ALA 32 Cb -0.62 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 3kcm s ALA 32 CO 0.51 -0.27 1.32 -2.14 0.00 0.00 0.00 175.76 175.18 3kcm s PRO 33 N -1.66 3.98 0.52 0.00 0.02 -1.26 -4.98 135.00 131.63 3kcm s PRO 33 Ca 0.47 2.20 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 3kcm s PRO 33 Cb -0.32 -2.78 -0.08 0.00 0.02 0.00 0.00 34.50 31.34 3kcm s PRO 33 CO 0.42 -0.50 0.99 0.34 -0.33 0.00 0.00 177.00 177.92 3kcm s ASP 34 N -0.67 6.56 0.06 2.53 2.15 -1.26 -4.99 116.67 121.05 3kcm s ASP 34 Ca 0.56 1.60 -0.26 0.00 0.43 0.00 0.00 52.55 54.87 3kcm s ASP 34 Cb -0.39 -2.51 0.09 0.00 -0.30 0.00 0.00 42.92 39.81 3kcm s ASP 34 CO 0.51 -0.63 0.77 0.72 -0.17 0.00 0.00 175.17 176.36 3kcm s PHE 35 N -2.60 -0.43 -0.10 -5.34 -0.12 -1.26 -5.01 117.98 103.13 3kcm s PHE 35 Ca 0.59 0.27 -0.04 0.00 -0.05 0.00 0.00 56.93 57.70 3kcm s PHE 35 Cb -0.10 0.55 0.05 0.00 -0.63 0.00 0.00 43.02 42.89 3kcm s PHE 35 CO 0.31 -0.67 0.18 0.99 -0.05 0.00 0.00 175.22 175.98 3kcm s THR 36 N -3.36 -0.29 0.03 -4.49 2.01 -1.26 -1.53 115.64 106.75 3kcm s THR 36 Ca 0.03 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 3kcm s THR 36 Cb -0.01 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 3kcm s THR 36 CO -0.11 0.11 0.06 -0.76 -0.69 0.00 0.00 174.62 173.24 3kcm s LEU 37 N 2.32 1.93 0.14 4.42 1.43 -0.94 -4.97 118.68 123.02 3kcm s LEU 37 Ca 0.03 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 3kcm s LEU 37 Cb -0.12 0.45 -0.07 0.00 0.03 0.00 0.00 46.19 46.47 3kcm s LEU 37 CO -0.07 -0.43 1.11 0.20 0.23 0.00 0.00 176.35 177.39 3kcm s ASN 38 N -1.86 7.23 0.99 2.29 0.02 -1.26 -2.03 114.94 120.32 3kcm s ASN 38 Ca -0.09 2.05 -0.15 0.00 -1.02 0.00 0.00 52.86 53.65 3kcm s ASN 38 Cb -0.04 -2.60 0.18 0.00 0.02 0.00 0.00 41.25 38.82 3kcm s ASN 38 CO -0.03 -0.27 1.17 -0.89 0.02 0.00 0.00 177.10 177.10 3kcm s THR 39 N 0.10 1.91 -0.45 1.60 2.01 0.14 -0.63 115.64 120.33 3kcm s THR 39 Ca 0.51 0.00 0.26 0.00 0.31 0.00 0.00 61.69 62.77 3kcm s THR 39 Cb -0.29 -2.73 0.29 0.00 0.01 0.00 0.00 72.50 69.78 3kcm s THR 39 CO 0.33 0.00 1.77 -0.07 -0.69 0.00 0.00 174.62 175.96 3kcm h LEU 40 N -1.77 0.00 -4.18 4.42 3.38 -1.88 -3.33 115.31 111.95 3kcm h LEU 40 Ca -0.48 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.87 3kcm h LEU 40 Cb 1.30 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.68 3kcm h LEU 40 CO 0.51 0.00 -0.20 -0.46 0.09 0.00 0.00 178.44 178.38 3kcm n ASN 41 N -2.47 5.78 0.00 -0.43 0.23 -1.26 -4.95 115.26 112.17 3kcm n ASN 41 Ca 0.03 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.32 3kcm n ASN 41 Cb 0.33 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 3kcm n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kcm n GLY 42 N -0.67 0.37 3.96 4.83 0.00 -1.25 -5.01 105.19 107.43 3kcm n GLY 42 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 3kcm n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcm s GLU 43 N -0.74 3.38 -0.09 1.61 2.02 -1.26 -4.95 118.70 118.67 3kcm s GLU 43 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.33 3kcm s GLU 43 Cb 0.00 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 3kcm s GLU 43 CO 0.00 0.25 -0.10 0.08 0.02 0.00 0.00 175.26 175.51 3kcm s VAL 44 N -2.14 3.35 -0.05 2.63 1.01 -1.26 -0.68 120.40 123.26 3kcm s VAL 44 Ca 0.38 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3kcm s VAL 44 Cb -0.09 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3kcm s VAL 44 CO 0.32 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 175.17 3kcm s VAL 45 N -0.28 3.27 -0.09 2.92 1.01 -0.86 -4.95 120.40 121.42 3kcm s VAL 45 Ca 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3kcm s VAL 45 Cb -0.13 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 3kcm s VAL 45 CO 0.03 0.58 -0.24 -0.75 0.00 0.00 0.00 175.10 174.72 3kcm s LYS 46 N -0.79 2.88 0.11 2.72 2.20 -1.26 -2.20 119.74 123.39 3kcm s LYS 46 Ca 0.12 -0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 54.70 3kcm s LYS 46 Cb -0.11 -2.24 -0.06 0.00 -1.51 0.00 0.00 37.83 33.92 3kcm s LYS 46 CO 0.01 0.23 1.49 1.25 -0.36 0.00 0.00 175.35 177.97 3kcm h LEU 47 N 6.53 0.68 -0.92 5.43 5.85 -1.66 -2.89 115.31 128.33 3kcm h LEU 47 Ca -0.23 -0.39 0.16 0.00 0.84 0.00 0.00 57.88 58.26 3kcm h LEU 47 Cb 1.22 -0.19 -0.16 0.00 0.37 0.00 0.00 40.66 41.90 3kcm h LEU 47 CO 0.47 0.92 -0.30 -1.20 -0.34 0.00 0.00 178.44 177.99 3kcm n SER 48 N -4.39 -0.47 0.00 1.25 7.64 -1.26 -0.57 113.62 115.82 3kcm n SER 48 Ca -0.03 1.59 0.03 0.00 1.01 0.00 0.00 58.87 61.48 3kcm n SER 48 Cb 0.37 -0.42 0.18 0.00 -1.01 0.00 0.00 64.21 63.32 3kcm n SER 48 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kcm n ASP 49 N -5.42 0.00 -0.81 6.43 8.00 -1.09 -2.43 116.55 121.23 3kcm n ASP 49 Ca 0.12 -0.09 0.08 0.00 0.71 0.00 0.00 54.79 55.60 3kcm n ASP 49 Cb 0.41 -0.07 0.16 0.00 -0.02 0.00 0.00 41.12 41.59 3kcm n ASP 49 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kcm n LEU 50 N -1.07 2.93 -4.49 0.64 4.77 0.26 -4.97 117.00 115.07 3kcm n LEU 50 Ca 0.04 -1.58 -0.43 0.00 -0.03 0.00 0.00 56.01 54.01 3kcm n LEU 50 Cb 0.03 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3kcm n LEU 50 CO 0.04 0.66 0.20 0.29 -1.33 0.00 0.00 177.39 177.25 3kcm n LYS 51 N 0.95 0.73 0.00 3.23 5.02 -1.02 -1.45 118.16 125.63 3kcm n LYS 51 Ca 0.14 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3kcm n LYS 51 Cb 0.46 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3kcm n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcm n GLY 52 N 1.64 2.89 3.86 0.72 0.00 -0.22 -5.04 105.19 109.04 3kcm n GLY 52 Ca 0.12 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3kcm n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcm s GLN 53 N 0.00 3.19 -0.20 1.61 -0.21 -0.53 -4.81 119.66 118.71 3kcm s GLN 53 Ca 0.00 -0.58 -0.25 0.00 0.02 0.00 0.00 55.36 54.55 3kcm s GLN 53 Cb 0.00 -2.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 3kcm s GLN 53 CO 0.00 0.57 0.81 0.08 -2.12 0.00 0.00 175.29 174.63 3kcm s VAL 54 N -1.51 4.88 -0.03 1.09 1.01 -0.95 -3.60 120.40 121.29 3kcm s VAL 54 Ca 0.32 1.56 0.06 0.00 0.00 0.00 0.00 61.98 63.93 3kcm s VAL 54 Cb -0.12 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3kcm s VAL 54 CO 0.25 0.00 -0.22 -0.69 0.00 0.00 0.00 175.10 174.45 3kcm s VAL 55 N 2.36 1.74 -0.14 2.92 1.01 -0.53 -0.76 120.40 127.01 3kcm s VAL 55 Ca 0.36 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3kcm s VAL 55 Cb -0.16 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3kcm s VAL 55 CO 0.10 0.49 -0.13 -0.63 0.00 0.00 0.00 175.10 174.94 3kcm s ILE 56 N -0.31 3.01 -0.31 2.22 1.01 0.01 -0.68 121.20 126.16 3kcm s ILE 56 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3kcm s ILE 56 Cb -0.10 -2.27 0.06 0.00 0.01 0.00 0.00 42.46 40.16 3kcm s ILE 56 CO 0.01 0.52 0.00 -0.69 0.00 0.00 0.00 174.94 174.78 3kcm s VAL 57 N 0.47 2.76 -0.13 2.92 1.01 0.73 -0.56 120.40 127.61 3kcm s VAL 57 Ca -0.09 -1.63 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 3kcm s VAL 57 Cb -0.16 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3kcm s VAL 57 CO 0.04 -0.21 -0.07 0.21 0.00 0.00 0.00 175.10 175.07 3kcm s ASN 58 N 1.25 4.53 -0.17 3.32 2.47 -0.68 0.29 114.94 125.95 3kcm s ASN 58 Ca -0.03 -0.16 -0.05 0.00 0.42 0.00 0.00 52.86 53.04 3kcm s ASN 58 Cb -0.20 -1.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.98 3kcm s ASN 58 CO -0.03 0.21 -0.00 -0.36 -3.72 0.00 0.00 177.10 173.20 3kcm s PHE 59 N 0.09 3.10 0.22 0.43 0.40 -0.30 0.56 117.98 122.48 3kcm s PHE 59 Ca -0.02 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 55.97 3kcm s PHE 59 Cb -0.14 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.39 3kcm s PHE 59 CO 0.03 0.02 0.50 1.67 0.70 0.00 0.00 175.22 178.14 3kcm s TRP 60 N 0.40 0.14 0.08 0.36 1.48 -0.82 -2.99 118.94 117.58 3kcm s TRP 60 Ca -0.01 -0.51 -0.05 0.00 -1.06 0.00 0.00 56.10 54.47 3kcm s TRP 60 Cb -0.14 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.45 3kcm s TRP 60 CO 0.02 -0.97 0.08 0.00 -4.06 0.00 0.00 176.95 172.02 3kcm s ALA 61 N -3.95 0.19 0.38 2.67 0.00 -1.26 -1.84 121.76 117.95 3kcm s ALA 61 Ca 0.16 -0.96 0.13 0.00 0.00 0.00 0.00 51.96 51.29 3kcm s ALA 61 Cb -0.01 0.42 0.75 0.00 0.00 0.00 0.00 23.12 24.27 3kcm s ALA 61 CO 0.04 -0.45 1.84 1.15 0.00 0.00 0.00 175.76 178.34 3kcm h THR 62 N 2.94 1.25 -0.67 0.00 2.02 -1.97 -2.76 112.91 113.72 3kcm h THR 62 Ca -0.34 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3kcm h THR 62 Cb 1.17 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 3kcm h THR 62 CO 0.61 0.35 0.00 -2.67 0.37 0.00 0.00 175.52 174.17 3kcm n TRP 63 N -4.12 1.42 -3.67 3.16 4.27 -1.26 -4.89 117.44 112.35 3kcm n TRP 63 Ca -0.02 -0.58 -0.39 0.00 -3.89 0.00 0.00 57.50 52.62 3kcm n TRP 63 Cb 0.39 -0.20 -0.12 0.00 -1.36 0.00 0.00 31.31 30.02 3kcm n TRP 63 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3kcm h PRO 65 N 8.34 -0.31 -0.38 0.00 0.11 -1.90 -1.29 132.00 136.57 3kcm h PRO 65 Ca -0.26 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 3kcm h PRO 65 Cb 1.10 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3kcm h PRO 65 CO 0.64 -0.21 0.08 -1.35 -0.21 0.00 0.00 178.00 176.95 3kcm h PRO 66 N -0.32 0.56 0.28 1.05 0.11 -1.95 0.28 132.00 132.00 3kcm h PRO 66 Ca 0.14 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3kcm h PRO 66 Cb 0.55 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3kcm h PRO 66 CO -0.46 0.52 -0.41 0.00 -0.21 0.00 0.00 178.00 177.44 3kcm h ARG 68 N -0.73 0.23 -0.24 0.00 3.08 -0.86 -1.88 114.38 113.99 3kcm h ARG 68 Ca -0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3kcm h ARG 68 Cb 0.67 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3kcm h ARG 68 CO -0.12 0.16 0.02 1.49 -1.07 0.00 0.00 179.97 180.44 3kcm h GLU 69 N 0.24 0.34 0.00 0.04 4.22 0.13 -2.90 114.58 116.65 3kcm h GLU 69 Ca 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.86 3kcm h GLU 69 Cb 0.88 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kcm h GLU 69 CO -0.58 0.36 -0.42 -0.85 -2.18 0.00 0.00 179.01 175.33 3kcm n GLU 70 N -4.36 0.04 -0.06 1.92 0.28 0.13 -4.50 120.64 114.08 3kcm n GLU 70 Ca 0.00 0.01 -0.09 0.00 -0.16 0.00 0.00 57.16 56.93 3kcm n GLU 70 Cb 0.18 -1.52 -0.02 0.00 1.43 0.00 0.00 31.44 31.51 3kcm n GLU 70 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3kcm h ILE 71 N 0.00 0.99 -0.46 3.84 2.04 -1.33 -2.44 117.51 120.15 3kcm h ILE 71 Ca 0.00 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.86 3kcm h ILE 71 Cb 0.53 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3kcm h ILE 71 CO 0.00 0.05 0.31 -0.65 0.00 0.00 0.00 178.15 177.86 3kcm h PRO 72 N 0.26 0.23 -5.74 2.37 0.11 -1.79 -3.42 132.00 124.02 3kcm h PRO 72 Ca 0.10 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.70 3kcm h PRO 72 Cb 0.03 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.02 3kcm h PRO 72 CO -0.07 0.15 1.51 -1.54 -0.21 0.00 0.00 178.00 177.85 3kcm s SER 73 N -6.42 5.94 0.00 -2.05 1.04 -0.92 -4.77 113.70 106.52 3kcm s SER 73 Ca -0.07 -1.79 0.00 0.00 0.48 0.00 0.00 55.95 54.57 3kcm s SER 73 Cb 0.19 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3kcm s SER 73 CO 0.73 -2.09 0.00 0.54 0.98 0.00 0.00 173.24 173.40 3kcm n ARG 76 N 8.49 0.00 -0.02 4.02 1.74 -1.26 -3.65 116.66 125.98 3kcm n ARG 76 Ca 0.44 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.43 3kcm n ARG 76 Cb 0.47 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 3kcm n ARG 76 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kcm h LEU 77 N 0.00 -0.43 -1.05 0.55 5.85 -1.86 0.38 115.31 118.76 3kcm h LEU 77 Ca 0.00 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3kcm h LEU 77 Cb 0.00 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3kcm h LEU 77 CO 0.00 -0.17 0.63 -1.13 -0.34 0.00 0.00 178.44 177.43 3kcm h ASN 78 N -0.14 1.01 -0.43 1.25 -1.24 -1.94 -0.87 115.58 113.22 3kcm h ASN 78 Ca 0.11 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3kcm h ASN 78 Cb 0.30 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 3kcm h ASN 78 CO -0.26 0.65 0.26 0.00 -1.29 0.00 0.00 177.43 176.79 3kcm h ALA 79 N 1.47 0.54 0.00 1.57 0.00 -1.85 -3.28 119.26 117.71 3kcm h ALA 79 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kcm h ALA 79 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kcm h ALA 79 CO -0.16 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3kcm n ALA 80 N -2.24 1.27 0.00 0.00 0.00 0.08 -4.76 120.51 114.87 3kcm n ALA 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kcm n ALA 80 Cb 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3kcm n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcm n ALA 82 N 1.55 0.00 -0.08 0.00 0.00 -1.24 -4.90 120.51 115.85 3kcm n ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcm n ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kcm n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcm n GLY 83 N 0.00 -2.53 3.52 0.00 0.00 -1.26 -4.97 105.19 99.95 3kcm n GLY 83 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3kcm n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcm s LYS 84 N -2.85 -1.55 -1.18 1.61 3.01 -1.26 -4.91 119.74 112.62 3kcm s LYS 84 Ca 0.00 0.08 -0.17 0.00 -1.01 0.00 0.00 55.97 54.87 3kcm s LYS 84 Cb 0.00 -1.54 0.12 0.00 -1.01 0.00 0.00 37.83 35.39 3kcm s LYS 84 CO 0.00 -3.96 1.50 -1.25 0.51 0.00 0.00 175.35 172.16 3kcm s PRO 85 N -5.23 3.94 0.00 -1.68 0.04 -1.26 -4.94 135.00 125.88 3kcm s PRO 85 Ca 0.70 -2.11 -0.05 0.00 0.04 0.00 0.00 61.00 59.58 3kcm s PRO 85 Cb -0.12 -5.24 -0.00 0.00 0.04 0.00 0.00 34.50 29.17 3kcm s PRO 85 CO 0.57 -1.99 0.08 0.12 0.04 0.00 0.00 177.00 175.83 3kcm s PHE 86 N 3.03 0.08 0.00 0.56 5.36 -1.26 -2.23 117.98 123.52 3kcm s PHE 86 Ca 0.46 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 3kcm s PHE 86 Cb -0.00 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.60 3kcm s PHE 86 CO 0.00 -0.23 0.00 0.54 -1.46 0.00 0.00 175.22 174.08 3kcm n ARG 87 N 1.70 0.01 -3.15 10.12 5.12 0.06 -4.94 116.66 125.58 3kcm n ARG 87 Ca -0.22 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.76 3kcm n ARG 87 Cb 0.56 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.84 3kcm n ARG 87 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kcm s LEU 89 N 0.00 -0.07 -0.72 0.55 1.43 0.28 -0.81 118.68 119.34 3kcm s LEU 89 Ca 0.00 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 3kcm s LEU 89 Cb 0.00 1.06 0.10 0.00 0.03 0.00 0.00 46.19 47.38 3kcm s LEU 89 CO 0.00 -0.01 0.91 0.00 0.23 0.00 0.00 176.35 177.48 3kcm s VAL 91 N 3.07 4.17 0.05 0.00 1.01 0.19 -2.07 120.40 126.82 3kcm s VAL 91 Ca 0.21 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3kcm s VAL 91 Cb -0.16 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 3kcm s VAL 91 CO 0.03 -0.69 0.98 -0.55 0.00 0.00 0.00 175.10 174.87 3kcm s SER 92 N 2.74 7.41 0.00 3.32 0.15 -0.54 -1.94 113.70 124.84 3kcm s SER 92 Ca 0.53 1.74 0.24 0.00 0.70 0.00 0.00 55.95 59.16 3kcm s SER 92 Cb -0.12 -2.58 0.37 0.00 -1.71 0.00 0.00 66.02 61.98 3kcm s SER 92 CO 0.26 -0.18 1.37 2.30 1.20 0.00 0.00 173.24 178.19 3kcm n ILE 93 N 3.38 0.39 -1.63 6.45 -5.35 -0.77 -1.21 119.36 120.63 3kcm n ILE 93 Ca 0.04 -0.70 -0.52 0.00 -0.27 0.00 0.00 62.75 61.31 3kcm n ILE 93 Cb 0.50 1.11 -0.06 0.00 -1.74 0.00 0.00 39.64 39.45 3kcm n ILE 93 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kcm n ASP 94 N 1.48 2.09 -0.30 7.28 8.00 -1.26 -4.52 116.55 129.31 3kcm n ASP 94 Ca 0.18 1.10 0.10 0.00 0.71 0.00 0.00 54.79 56.88 3kcm n ASP 94 Cb 0.61 -1.23 0.26 0.00 -0.02 0.00 0.00 41.12 40.74 3kcm n ASP 94 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3kcm h GLU 95 N 5.40 0.45 0.00 -1.24 4.57 -1.93 -1.89 114.58 119.93 3kcm h GLU 95 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3kcm h GLU 95 Cb 1.32 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3kcm h GLU 95 CO 0.83 0.30 0.00 0.41 -1.18 0.00 0.00 179.01 179.37 3kcm n GLY 96 N -1.33 -0.92 7.00 1.92 0.00 -1.26 -4.89 105.19 105.71 3kcm n GLY 96 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kcm n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcm n GLY 97 N 0.51 3.38 0.21 -0.02 0.00 -0.71 -3.21 105.19 105.35 3kcm n GLY 97 Ca 0.12 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3kcm n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kcm h LYS 98 N 0.00 0.70 -0.40 1.61 3.64 -1.92 -1.58 116.57 118.62 3kcm h LYS 98 Ca 0.00 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3kcm h LYS 98 Cb 0.00 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3kcm h LYS 98 CO 0.00 0.93 0.24 0.28 -2.27 0.00 0.00 179.45 178.63 3kcm h VAL 99 N 0.47 1.14 -0.40 2.00 2.07 -1.99 0.80 116.25 120.33 3kcm h VAL 99 Ca 0.07 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3kcm h VAL 99 Cb 0.75 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3kcm h VAL 99 CO 0.06 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.85 3kcm h ALA 100 N 1.10 0.53 -0.69 1.67 0.00 -1.42 -0.08 119.26 120.37 3kcm h ALA 100 Ca 0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3kcm h ALA 100 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kcm h ALA 100 CO -0.03 0.24 0.21 0.28 0.00 0.00 0.00 179.25 179.95 3kcm h VAL 101 N 0.51 1.26 0.39 0.00 2.07 -1.21 -0.96 116.25 118.30 3kcm h VAL 101 Ca 0.12 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3kcm h VAL 101 Cb 0.36 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kcm h VAL 101 CO 0.01 0.35 -0.19 -0.33 0.02 0.00 0.00 177.57 177.43 3kcm h GLU 102 N 1.02 -0.50 -0.69 1.57 4.39 -0.58 -1.20 114.58 118.59 3kcm h GLU 102 Ca 0.22 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.11 3kcm h GLU 102 Cb 0.32 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 3kcm h GLU 102 CO -0.00 -0.27 0.05 0.93 -1.16 0.00 0.00 179.01 178.56 3kcm h GLU 103 N -0.63 0.15 -0.59 2.33 5.08 -1.01 -0.53 114.58 119.38 3kcm h GLU 103 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kcm h GLU 103 Cb 0.46 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3kcm h GLU 103 CO 0.09 0.10 0.37 0.35 -1.00 0.00 0.00 179.01 178.92 3kcm h PHE 104 N 0.16 0.75 -0.47 4.33 3.57 -0.80 -2.39 116.94 122.09 3kcm h PHE 104 Ca 0.37 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.75 3kcm h PHE 104 Cb 0.63 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3kcm h PHE 104 CO -0.35 0.49 -0.24 0.74 -2.23 0.00 0.00 178.31 176.73 3kcm h PHE 105 N 0.79 1.14 -0.77 0.41 0.04 -0.71 -2.62 116.94 115.23 3kcm h PHE 105 Ca 0.21 -0.29 0.04 0.00 2.80 0.00 0.00 57.97 60.74 3kcm h PHE 105 Cb -0.06 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 37.78 3kcm h PHE 105 CO -0.03 1.11 0.48 -0.09 -0.60 0.00 0.00 178.31 179.18 3kcm h ARG 106 N 0.85 0.88 -0.07 1.51 2.43 -0.84 0.12 114.38 119.26 3kcm h ARG 106 Ca 0.10 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 3kcm h ARG 106 Cb 0.82 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3kcm h ARG 106 CO 0.07 0.58 -0.66 0.87 -1.51 0.00 0.00 179.97 179.32 3kcm h LYS 107 N 0.90 0.27 0.00 0.20 6.56 -1.31 -3.32 116.57 119.88 3kcm h LYS 107 Ca 0.32 -0.21 -0.07 0.00 -1.06 0.00 0.00 60.65 59.64 3kcm h LYS 107 Cb 0.09 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 3kcm h LYS 107 CO -0.14 0.84 -2.04 0.25 -2.06 0.00 0.00 179.45 176.30 3kcm n THR 108 N -3.84 0.27 -1.85 -0.16 -2.24 -1.00 -5.00 114.28 100.45 3kcm n THR 108 Ca -0.03 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 3kcm n THR 108 Cb 0.66 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 3kcm n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcm n GLY 109 N 1.40 0.41 3.94 3.38 0.00 0.42 -5.04 105.19 109.69 3kcm n GLY 109 Ca -0.09 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3kcm n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcm s PHE 110 N -2.45 3.36 -0.23 1.61 2.99 -1.22 -5.07 117.98 116.97 3kcm s PHE 110 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 56.93 57.18 3kcm s PHE 110 Cb 0.00 -2.27 0.06 0.00 0.00 0.00 0.00 43.02 40.81 3kcm s PHE 110 CO 0.00 -0.30 0.59 -0.08 -0.00 0.00 0.00 175.22 175.44 3kcm s THR 111 N -2.60 -0.00 -0.02 0.64 -1.32 -1.26 -4.73 115.64 106.35 3kcm s THR 111 Ca 0.47 0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.85 3kcm s THR 111 Cb -0.10 -0.84 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 3kcm s THR 111 CO 0.40 0.00 0.24 -0.76 -2.21 0.00 0.00 174.62 172.29 3kcm s LEU 112 N 0.69 1.15 -0.88 9.08 1.43 -1.26 -5.06 118.68 123.84 3kcm s LEU 112 Ca -0.03 0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 52.86 3kcm s LEU 112 Cb -0.05 0.98 -0.03 0.00 0.03 0.00 0.00 46.19 47.13 3kcm s LEU 112 CO -0.05 -0.37 1.84 -2.16 0.23 0.00 0.00 176.35 175.84 3kcm s PRO 113 N -1.15 2.74 0.16 1.29 0.04 -1.26 -4.95 135.00 131.88 3kcm s PRO 113 Ca -0.12 -0.29 0.04 0.00 0.04 0.00 0.00 61.00 60.66 3kcm s PRO 113 Cb -0.06 -4.99 -0.04 0.00 0.04 0.00 0.00 34.50 29.46 3kcm s PRO 113 CO 0.03 -3.07 0.24 0.08 0.04 0.00 0.00 177.00 174.32 3kcm s VAL 114 N 9.03 5.05 0.04 -0.36 1.01 -1.26 -1.69 120.40 132.23 3kcm s VAL 114 Ca 0.65 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3kcm s VAL 114 Cb -0.07 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3kcm s VAL 114 CO 0.01 -0.12 -0.05 -0.76 0.00 0.00 0.00 175.10 174.18 3kcm s LEU 115 N -3.27 2.32 -0.16 3.92 1.43 -0.88 -4.07 118.68 117.98 3kcm s LEU 115 Ca 0.33 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3kcm s LEU 115 Cb -0.11 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 3kcm s LEU 115 CO 0.27 -0.35 0.00 -0.76 0.23 0.00 0.00 176.35 175.74 3kcm s LEU 116 N -1.96 3.49 -0.32 1.79 1.43 0.20 -1.46 118.68 121.85 3kcm s LEU 116 Ca -0.07 -0.03 0.17 0.00 -1.03 0.00 0.00 54.13 53.17 3kcm s LEU 116 Cb -0.05 -1.85 0.47 0.00 0.03 0.00 0.00 46.19 44.79 3kcm s LEU 116 CO -0.03 0.19 1.03 -0.67 0.23 0.00 0.00 176.35 177.10 3kcm n ASP 117 N 3.39 2.16 -0.36 2.29 2.03 -0.35 -4.43 116.55 121.28 3kcm n ASP 117 Ca -0.17 -2.75 0.28 0.00 0.52 0.00 0.00 54.79 52.67 3kcm n ASP 117 Cb 0.52 -0.50 0.56 0.00 -0.72 0.00 0.00 41.12 40.99 3kcm n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kcm h ALA 118 N 2.79 2.40 -0.01 -1.67 0.00 -1.73 0.16 119.26 121.20 3kcm h ALA 118 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kcm h ALA 118 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kcm h ALA 118 CO 0.49 -0.89 -0.03 -0.40 0.00 0.00 0.00 179.25 178.41 3kcm n ASP 119 N -4.67 0.61 0.00 0.00 3.85 -1.26 -4.51 116.55 110.57 3kcm n ASP 119 Ca 0.30 -1.04 0.00 0.00 -0.71 0.00 0.00 54.79 53.34 3kcm n ASP 119 Cb 1.08 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.83 3kcm n ASP 119 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kcm n LYS 120 N -0.61 -0.20 -0.33 0.11 4.76 0.56 -4.85 118.16 117.60 3kcm n LYS 120 Ca 0.20 0.05 0.07 0.00 -2.87 0.00 0.00 58.31 55.76 3kcm n LYS 120 Cb 0.24 -3.75 0.23 0.00 -1.84 0.00 0.00 35.03 29.91 3kcm n LYS 120 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3kcm h ARG 121 N 1.11 0.79 0.06 1.97 1.12 -1.91 0.66 114.38 118.18 3kcm h ARG 121 Ca 0.00 -0.05 -0.23 0.00 -1.11 0.00 0.00 59.98 58.59 3kcm h ARG 121 Cb 0.10 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 3kcm h ARG 121 CO 0.00 0.52 -1.07 0.28 -3.11 0.00 0.00 179.97 176.59 3kcm h VAL 122 N 0.81 1.55 0.00 0.20 2.07 -1.89 -2.78 116.25 116.21 3kcm h VAL 122 Ca 0.48 -3.01 0.02 0.00 0.82 0.00 0.00 66.70 65.01 3kcm h VAL 122 Cb 0.58 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 3kcm h VAL 122 CO -0.31 0.87 -0.14 1.23 0.02 0.00 0.00 177.57 179.24 3kcm h GLY 123 N 2.01 -0.18 0.81 2.17 0.00 -1.73 -1.58 103.07 104.56 3kcm h GLY 123 Ca -0.08 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.46 3kcm h GLY 123 CO 0.16 -0.14 0.39 0.50 0.00 0.00 0.00 176.54 177.46 3kcm h LYS 124 N -0.24 0.73 -0.87 4.80 1.57 -0.84 -0.33 116.57 121.39 3kcm h LYS 124 Ca 0.05 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 58.96 3kcm h LYS 124 Cb 0.30 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 3kcm h LYS 124 CO -0.14 0.49 0.57 1.25 -0.57 0.00 0.00 179.45 181.05 3kcm h LEU 125 N 0.76 0.48 -0.19 2.94 5.85 -1.39 0.46 115.31 124.21 3kcm h LEU 125 Ca 0.27 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3kcm h LEU 125 Cb 0.08 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3kcm h LEU 125 CO -0.13 0.22 -0.08 -1.22 -0.34 0.00 0.00 178.44 176.89 3kcm n TYR 126 N -4.53 0.00 -3.18 1.25 4.02 -0.21 -4.92 117.16 109.60 3kcm n TYR 126 Ca 0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.86 3kcm n TYR 126 Cb 0.59 -0.18 0.05 0.00 -0.02 0.00 0.00 39.34 39.78 3kcm n TYR 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kcm n GLY 127 N 1.26 -0.40 3.79 2.72 0.00 0.16 -4.99 105.19 107.73 3kcm n GLY 127 Ca 0.15 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3kcm n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcm s THR 128 N -3.19 3.89 -0.21 2.61 -4.23 -1.10 -4.98 115.64 108.42 3kcm s THR 128 Ca 0.38 1.36 0.22 0.00 -1.18 0.00 0.00 61.69 62.47 3kcm s THR 128 Cb -0.17 -3.66 -0.18 0.00 1.34 0.00 0.00 72.50 69.83 3kcm s THR 128 CO 0.47 -0.08 0.77 0.41 -0.54 0.00 0.00 174.62 175.66 3kcm n THR 129 N -0.27 0.24 -3.69 3.99 -1.04 -1.26 -4.90 114.28 107.35 3kcm n THR 129 Ca 0.06 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3kcm n THR 129 Cb 0.51 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 3kcm n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kcm n GLY 130 N 1.25 -1.02 2.94 3.41 0.00 -1.26 -5.18 105.19 105.34 3kcm n GLY 130 Ca -0.02 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 3kcm n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcm s VAL 131 N -3.00 0.06 0.15 1.61 -7.23 -1.26 -4.18 120.40 106.54 3kcm s VAL 131 Ca 0.00 -0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 3kcm s VAL 131 Cb 0.00 -0.16 -0.07 0.00 0.56 0.00 0.00 36.38 36.72 3kcm s VAL 131 CO 0.00 -0.26 0.98 -2.16 -0.31 0.00 0.00 175.10 173.34 3kcm s PRO 132 N -0.77 4.72 -0.06 4.82 0.05 -1.26 -4.84 135.00 137.66 3kcm s PRO 132 Ca -0.08 1.50 0.04 0.00 0.05 0.00 0.00 61.00 62.50 3kcm s PRO 132 Cb -0.05 -3.34 -0.00 0.00 0.05 0.00 0.00 34.50 31.16 3kcm s PRO 132 CO -0.00 0.26 -0.18 -1.21 0.05 0.00 0.00 177.00 175.92 3kcm s GLU 133 N -0.32 2.09 -0.13 4.56 2.02 -1.16 -0.20 118.70 125.56 3kcm s GLU 133 Ca 0.46 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.82 3kcm s GLU 133 Cb -0.25 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.25 3kcm s GLU 133 CO 0.31 0.21 -0.22 0.99 0.02 0.00 0.00 175.26 176.57 3kcm s THR 134 N 0.19 2.02 -0.15 3.63 2.01 0.15 -1.15 115.64 122.33 3kcm s THR 134 Ca -0.09 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 3kcm s THR 134 Cb -0.14 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3kcm s THR 134 CO 0.04 0.54 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.13 3kcm s PHE 135 N 0.68 3.05 -0.27 4.92 0.40 0.15 -0.41 117.98 126.49 3kcm s PHE 135 Ca -0.11 -0.23 -0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3kcm s PHE 135 Cb -0.16 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 3kcm s PHE 135 CO 0.01 0.01 0.13 0.08 0.70 0.00 0.00 175.22 176.16 3kcm s VAL 136 N 0.29 4.73 -0.09 -0.44 1.01 -0.43 -0.19 120.40 125.28 3kcm s VAL 136 Ca -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3kcm s VAL 136 Cb -0.14 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 3kcm s VAL 136 CO 0.03 0.24 -0.20 -0.63 0.00 0.00 0.00 175.10 174.55 3kcm s ILE 137 N 1.67 2.51 0.92 2.22 1.01 0.15 0.06 121.20 129.73 3kcm s ILE 137 Ca 0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 3kcm s ILE 137 Cb -0.16 -1.98 0.20 0.00 0.01 0.00 0.00 42.46 40.53 3kcm s ILE 137 CO 0.07 0.56 1.25 1.51 0.00 0.00 0.00 174.94 178.33 3kcm s ASP 138 N 0.02 3.23 0.55 3.58 1.47 0.31 -1.45 116.67 124.39 3kcm s ASP 138 Ca -0.07 -0.05 0.37 0.00 1.18 0.00 0.00 52.55 53.98 3kcm s ASP 138 Cb -0.15 0.01 1.92 0.00 -0.34 0.00 0.00 42.92 44.36 3kcm s ASP 138 CO 0.05 -2.63 2.13 0.08 0.68 0.00 0.00 175.17 175.47 3kcm h ARG 139 N -1.41 0.00 -0.50 2.11 0.11 -1.87 -1.64 114.38 111.17 3kcm h ARG 139 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3kcm h ARG 139 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3kcm h ARG 139 CO 0.33 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.12 3kcm n HIS 140 N -2.86 0.66 -0.73 4.08 8.25 -1.26 -1.06 115.22 122.30 3kcm n HIS 140 Ca -0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3kcm n HIS 140 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3kcm n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcm n GLY 141 N 1.48 0.57 3.72 -1.41 0.00 -0.62 -5.02 105.19 103.92 3kcm n GLY 141 Ca 0.20 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3kcm n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcm s VAL 142 N -2.00 5.22 0.18 1.61 1.01 -1.26 -1.36 120.40 123.79 3kcm s VAL 142 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3kcm s VAL 142 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 3kcm s VAL 142 CO 0.00 0.48 1.10 -0.63 0.00 0.00 0.00 175.10 176.05 3kcm s ILE 143 N 0.11 3.87 -0.02 2.22 1.01 -0.90 -0.53 121.20 126.97 3kcm s ILE 143 Ca 0.08 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.36 3kcm s ILE 143 Cb -0.12 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3kcm s ILE 143 CO -0.00 0.28 0.01 -0.11 0.00 0.00 0.00 174.94 175.12 3kcm n LEU 144 N 2.39 0.00 -3.65 2.97 7.94 0.11 -1.36 117.00 125.39 3kcm n LEU 144 Ca 0.03 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.83 3kcm n LEU 144 Cb 0.46 0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.37 3kcm n LEU 144 CO 0.54 0.04 0.31 -0.54 -1.11 0.00 0.00 177.39 176.63 3kcm s LYS 145 N -2.06 0.69 -0.11 1.96 3.01 -1.20 -4.85 119.74 117.18 3kcm s LYS 145 Ca -0.01 1.09 0.00 0.00 -1.01 0.00 0.00 55.97 56.04 3kcm s LYS 145 Cb 0.01 0.18 -0.02 0.00 -1.01 0.00 0.00 37.83 36.99 3kcm s LYS 145 CO 0.08 -0.14 -0.12 0.21 0.51 0.00 0.00 175.35 175.89 3kcm s LYS 146 N 1.25 3.19 -0.06 1.68 2.20 -1.26 -1.32 119.74 125.42 3kcm s LYS 146 Ca -0.07 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 54.91 3kcm s LYS 146 Cb -0.05 -2.60 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 3kcm s LYS 146 CO -0.13 0.33 -0.20 0.08 -0.36 0.00 0.00 175.35 175.07 3kcm s VAL 147 N 0.06 1.67 -0.12 4.02 1.01 0.45 -4.98 120.40 122.50 3kcm s VAL 147 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3kcm s VAL 147 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kcm s VAL 147 CO 0.04 0.47 -0.13 0.68 0.00 0.00 0.00 175.10 176.16 3kcm s VAL 148 N 0.15 3.07 0.00 2.92 -7.23 -1.26 0.31 120.40 118.35 3kcm s VAL 148 Ca -0.09 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3kcm s VAL 148 Cb -0.14 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3kcm s VAL 148 CO 0.04 0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 3kcm n GLY 149 N 3.41 -1.06 3.29 2.32 0.00 0.72 -5.01 105.19 108.86 3kcm n GLY 149 Ca -0.18 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 3kcm n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcm n ALA 150 N -1.27 -4.08 -3.91 4.61 0.00 -1.26 -4.88 120.51 109.73 3kcm n ALA 150 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 53.44 51.86 3kcm n ALA 150 Cb 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 19.45 17.75 3kcm n ALA 150 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kcm s GLU 152 N -3.49 1.33 0.07 0.00 2.56 -1.26 -5.08 118.70 112.83 3kcm s GLU 152 Ca 0.57 -1.26 0.24 0.00 0.00 0.00 0.00 54.97 54.52 3kcm s GLU 152 Cb -0.13 -2.60 0.37 0.00 2.00 0.00 0.00 34.13 33.77 3kcm s GLU 152 CO 0.66 -0.80 1.32 0.91 -0.56 0.00 0.00 175.26 176.79 3kcm n TRP 153 N 4.60 0.34 -0.70 5.30 7.02 -1.26 -3.64 117.44 129.10 3kcm n TRP 153 Ca -0.05 0.10 0.08 0.00 -1.02 0.00 0.00 57.50 56.61 3kcm n TRP 153 Cb 0.43 -0.50 0.33 0.00 -2.42 0.00 0.00 31.31 29.15 3kcm n TRP 153 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kcm n ASP 154 N -1.89 4.59 -4.77 -0.99 4.64 -1.24 -4.63 116.55 112.26 3kcm n ASP 154 Ca 0.04 -2.60 -0.38 0.00 -1.38 0.00 0.00 54.79 50.46 3kcm n ASP 154 Cb 0.41 -0.56 -0.01 0.00 -1.04 0.00 0.00 41.12 39.92 3kcm n ASP 154 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 3kcm s HIS 155 N -2.12 2.98 0.37 -0.67 3.76 -1.24 -4.79 115.29 113.58 3kcm s HIS 155 Ca 0.47 1.51 0.20 0.00 -0.15 0.00 0.00 55.06 57.09 3kcm s HIS 155 Cb 0.33 -3.47 1.29 0.00 1.11 0.00 0.00 32.58 31.83 3kcm s HIS 155 CO 0.19 -1.55 1.60 -1.35 -0.85 0.00 0.00 174.74 172.78 3kcm h PRO 156 N 2.59 0.09 -0.76 8.40 0.11 -1.95 -0.55 132.00 139.93 3kcm h PRO 156 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3kcm h PRO 156 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3kcm h PRO 156 CO 0.62 0.06 0.27 0.93 -0.21 0.00 0.00 178.00 179.66 3kcm h GLU 157 N 0.09 1.16 0.26 1.05 3.07 -1.98 -2.62 114.58 115.62 3kcm h GLU 157 Ca 0.82 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 59.43 3kcm h GLU 157 Cb 2.11 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.85 3kcm h GLU 157 CO -0.71 0.96 -0.13 0.28 -1.40 0.00 0.00 179.01 178.01 3kcm h VAL 158 N 1.11 0.49 -0.82 3.13 2.07 -1.44 -2.28 116.25 118.51 3kcm h VAL 158 Ca 0.25 -0.89 0.19 0.00 0.82 0.00 0.00 66.70 67.08 3kcm h VAL 158 Cb 0.27 0.81 -0.15 0.00 -1.52 0.00 0.00 31.29 30.70 3kcm h VAL 158 CO -0.01 0.12 0.01 0.40 0.02 0.00 0.00 177.57 178.10 3kcm h ILE 159 N -0.97 0.26 -0.67 4.57 1.08 -1.60 0.23 117.51 120.41 3kcm h ILE 159 Ca -0.04 -0.03 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 3kcm h ILE 159 Cb 0.47 0.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 3kcm h ILE 159 CO 0.06 0.02 0.36 0.00 -0.69 0.00 0.00 178.15 177.89 3kcm h ALA 160 N 1.78 0.90 -0.25 1.87 0.00 -1.50 -2.08 119.26 119.97 3kcm h ALA 160 Ca 0.46 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 3kcm h ALA 160 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kcm h ALA 160 CO -0.74 0.01 -0.23 0.35 0.00 0.00 0.00 179.25 178.65 3kcm h PHE 161 N 0.65 0.52 0.01 0.00 3.57 0.03 -2.85 116.94 118.87 3kcm h PHE 161 Ca 0.31 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3kcm h PHE 161 Cb 0.23 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3kcm h PHE 161 CO -0.09 0.66 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.58 3kcm h LEU 162 N 0.42 -0.01 -0.61 0.59 3.38 -1.10 -2.94 115.31 115.04 3kcm h LEU 162 Ca 0.07 -0.82 0.10 0.00 0.09 0.00 0.00 57.88 57.31 3kcm h LEU 162 Cb 0.63 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 3kcm h LEU 162 CO 0.04 0.85 -0.41 0.78 0.09 0.00 0.00 178.44 179.79 3kcm h ASN 163 N -0.89 -1.40 -0.17 -0.43 2.35 -1.44 0.12 115.58 113.70 3kcm h ASN 163 Ca -0.00 0.25 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3kcm h ASN 163 Cb 0.83 0.66 -0.07 0.00 0.05 0.00 0.00 38.32 39.79 3kcm h ASN 163 CO 0.00 -0.32 -0.49 -1.13 -1.65 0.00 0.00 177.43 173.84 3kcm h ASN 164 N -0.19 -1.54 -0.62 5.81 -0.73 -1.63 -1.25 115.58 115.42 3kcm h ASN 164 Ca 0.20 0.20 0.12 0.00 1.87 0.00 0.00 56.30 58.69 3kcm h ASN 164 Cb 0.56 0.62 -0.12 0.00 0.27 0.00 0.00 38.32 39.65 3kcm h ASN 164 CO -0.71 -0.45 -0.22 -0.33 -0.37 0.00 0.00 177.43 175.35 3kcm h GLU 165 N -0.52 -0.06 0.00 6.67 4.39 -0.92 -3.52 114.58 120.62 3kcm h GLU 165 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kcm h GLU 165 Cb 0.65 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3kcm h GLU 165 CO -0.44 -0.04 0.00 1.28 -1.16 0.00 0.00 179.01 178.64