#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcm s GLU 28 N 0.00 4.28 0.00 1.96 -6.30 -1.26 -2.54 118.70 114.84 3kcm s GLU 28 Ca 0.00 2.07 0.00 0.00 -2.50 0.00 0.00 54.97 54.54 3kcm s GLU 28 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 34.13 30.67 3kcm s GLU 28 CO 0.00 -0.55 0.00 0.39 0.02 0.00 0.00 175.26 175.12 3kcm n GLU 29 N 4.89 0.00 -4.89 4.30 -0.58 0.85 -5.04 120.64 120.17 3kcm n GLU 29 Ca 0.13 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 3kcm n GLU 29 Cb 0.43 -2.39 -0.14 0.00 -0.57 0.00 0.00 31.44 28.76 3kcm n GLU 29 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kcm s ASN 30 N -2.68 3.44 0.17 1.62 0.01 -1.05 -4.87 114.94 111.58 3kcm s ASN 30 Ca 0.00 -0.48 -0.33 0.00 -0.71 0.00 0.00 52.86 51.34 3kcm s ASN 30 Cb 0.00 -0.46 -0.16 0.00 0.41 0.00 0.00 41.25 41.05 3kcm s ASN 30 CO 0.00 0.28 1.18 -0.81 -1.51 0.00 0.00 177.10 176.23 3kcm n PRO 31 N 1.86 1.20 -1.68 -0.60 -0.04 -1.26 -2.91 135.00 131.58 3kcm n PRO 31 Ca -0.17 0.43 -0.45 0.00 -0.04 0.00 0.00 63.50 63.28 3kcm n PRO 31 Cb 0.52 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 3kcm n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kcm n ALA 32 N 1.52 1.41 -1.78 0.55 0.00 -0.68 -4.79 120.51 116.74 3kcm n ALA 32 Ca 0.15 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.59 3kcm n ALA 32 Cb 0.25 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 3kcm n ALA 32 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kcm s PRO 33 N 0.12 4.15 0.60 0.00 0.01 -1.26 -4.98 135.00 133.64 3kcm s PRO 33 Ca 0.72 2.53 -0.16 0.00 0.01 0.00 0.00 61.00 64.10 3kcm s PRO 33 Cb -0.64 -3.04 -0.03 0.00 0.01 0.00 0.00 34.50 30.80 3kcm s PRO 33 CO 0.45 -0.59 1.08 0.34 0.01 0.00 0.00 177.00 178.28 3kcm s ASP 34 N 0.46 5.61 0.04 2.53 -1.08 -1.26 -5.02 116.67 117.94 3kcm s ASP 34 Ca 0.62 1.92 -0.27 0.00 -0.52 0.00 0.00 52.55 54.31 3kcm s ASP 34 Cb -0.47 -2.55 0.08 0.00 -1.46 0.00 0.00 42.92 38.53 3kcm s ASP 34 CO 0.47 -1.29 0.72 0.72 0.52 0.00 0.00 175.17 176.32 3kcm s PHE 35 N -2.30 -0.51 -0.10 -5.34 -0.12 -1.26 -5.02 117.98 103.32 3kcm s PHE 35 Ca 0.66 0.54 0.01 0.00 -0.05 0.00 0.00 56.93 58.09 3kcm s PHE 35 Cb -0.18 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.73 3kcm s PHE 35 CO 0.36 -0.67 -0.10 0.99 -0.05 0.00 0.00 175.22 175.74 3kcm s THR 36 N -2.69 1.12 0.04 -4.49 2.01 -1.26 -2.15 115.64 108.21 3kcm s THR 36 Ca -0.02 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 3kcm s THR 36 Cb -0.01 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 3kcm s THR 36 CO -0.05 0.37 0.07 -0.76 -0.69 0.00 0.00 174.62 173.56 3kcm s LEU 37 N 1.26 1.92 0.37 4.42 1.43 -1.04 -4.96 118.68 122.08 3kcm s LEU 37 Ca -0.03 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 3kcm s LEU 37 Cb -0.14 0.51 -0.09 0.00 0.03 0.00 0.00 46.19 46.50 3kcm s LEU 37 CO -0.04 -0.50 1.18 0.20 0.23 0.00 0.00 176.35 177.42 3kcm s ASN 38 N -2.14 6.71 0.87 2.29 0.02 -1.26 -2.10 114.94 119.33 3kcm s ASN 38 Ca -0.05 2.38 -0.11 0.00 -1.02 0.00 0.00 52.86 54.06 3kcm s ASN 38 Cb -0.01 -2.62 0.16 0.00 0.02 0.00 0.00 41.25 38.80 3kcm s ASN 38 CO -0.05 -0.54 1.21 -0.89 0.02 0.00 0.00 177.10 176.84 3kcm s THR 39 N -1.33 2.06 0.51 1.60 2.01 -0.13 -1.59 115.64 118.78 3kcm s THR 39 Ca 0.53 -0.16 0.38 0.00 0.31 0.00 0.00 61.69 62.76 3kcm s THR 39 Cb -0.32 -2.90 0.40 0.00 0.01 0.00 0.00 72.50 69.69 3kcm s THR 39 CO 0.41 0.00 2.24 -0.07 -0.69 0.00 0.00 174.62 176.51 3kcm h LEU 40 N -1.24 0.00 -4.84 4.42 3.38 -1.90 -3.31 115.31 111.82 3kcm h LEU 40 Ca -0.43 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.00 3kcm h LEU 40 Cb 1.26 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.59 3kcm h LEU 40 CO 0.43 0.02 -0.82 -0.46 0.09 0.00 0.00 178.44 177.70 3kcm n ASN 41 N -3.25 3.85 0.00 -0.43 0.23 -1.26 -4.96 115.26 109.44 3kcm n ASN 41 Ca -0.02 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.54 3kcm n ASN 41 Cb 0.14 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 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 -0.31 0.61 3.92 4.83 0.00 -1.25 -4.98 105.19 108.01 3kcm n GLY 42 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.45 2.26 0.01 1.61 2.02 -1.26 -4.85 118.70 118.04 3kcm s GLU 43 Ca 0.00 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 54.89 3kcm s GLU 43 Cb 0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 3kcm s GLU 43 CO 0.00 -1.24 -0.06 0.08 0.02 0.00 0.00 175.26 174.06 3kcm s VAL 44 N -3.29 0.42 -0.08 2.63 1.01 -1.26 -0.95 120.40 118.88 3kcm s VAL 44 Ca 0.60 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3kcm s VAL 44 Cb -0.11 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.89 3kcm s VAL 44 CO 0.46 -0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 174.74 3kcm s VAL 45 N -0.53 0.86 -0.32 2.92 1.01 -0.89 -4.97 120.40 118.48 3kcm s VAL 45 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3kcm s VAL 45 Cb -0.05 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.52 3kcm s VAL 45 CO -0.00 0.32 0.05 -0.75 0.00 0.00 0.00 175.10 174.71 3kcm s LYS 46 N 1.20 2.46 0.53 2.72 2.20 -1.26 -2.49 119.74 125.10 3kcm s LYS 46 Ca -0.05 -1.28 0.40 0.00 -0.36 0.00 0.00 55.97 54.67 3kcm s LYS 46 Cb -0.14 -3.30 1.58 0.00 -1.51 0.00 0.00 37.83 34.46 3kcm s LYS 46 CO -0.02 -0.67 1.71 1.25 -0.36 0.00 0.00 175.35 177.26 3kcm h LEU 47 N 8.07 0.04 -1.13 5.43 5.85 -1.83 -1.22 115.31 130.53 3kcm h LEU 47 Ca -0.21 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3kcm h LEU 47 Cb 1.07 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3kcm h LEU 47 CO 0.57 -0.01 0.40 0.28 -0.34 0.00 0.00 178.44 179.34 3kcm h SER 48 N 0.03 0.89 0.00 1.25 0.02 -1.95 -2.77 113.55 111.01 3kcm h SER 48 Ca 0.71 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3kcm h SER 48 Cb 2.76 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 65.08 3kcm h SER 48 CO -0.06 0.72 0.00 0.47 -1.14 0.00 0.00 176.83 176.82 3kcm n ASP 49 N -4.36 0.28 -0.36 3.07 8.00 -0.46 -2.59 116.55 120.12 3kcm n ASP 49 Ca 0.07 -1.43 0.03 0.00 0.71 0.00 0.00 54.79 54.18 3kcm n ASP 49 Cb 0.10 -0.14 0.08 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.25 2.38 -4.64 0.64 4.32 -1.05 -4.98 117.00 113.43 3kcm n LEU 50 Ca 0.00 -1.83 -0.48 0.00 -0.02 0.00 0.00 56.01 53.68 3kcm n LEU 50 Cb 0.07 -0.11 -0.05 0.00 -1.62 0.00 0.00 43.42 41.71 3kcm n LEU 50 CO 0.00 0.58 1.10 0.29 -1.22 0.00 0.00 177.39 178.14 3kcm n LYS 51 N 0.15 1.84 0.00 3.23 4.76 -1.07 -2.24 118.16 124.83 3kcm n LYS 51 Ca 0.06 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 3kcm n LYS 51 Cb 0.32 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 3kcm n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kcm n GLY 52 N 3.12 1.28 3.25 0.72 0.00 0.23 -5.04 105.19 108.74 3kcm n GLY 52 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.44 1.03 0.15 1.61 -0.21 -0.95 -4.90 119.66 115.95 3kcm s GLN 53 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.92 3kcm s GLN 53 Cb 0.00 -1.07 -0.07 0.00 1.00 0.00 0.00 33.01 32.87 3kcm s GLN 53 CO 0.00 0.23 1.04 0.08 -2.12 0.00 0.00 175.29 174.51 3kcm s VAL 54 N -1.63 4.14 -0.03 1.09 1.01 -0.95 -4.05 120.40 119.99 3kcm s VAL 54 Ca 0.06 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.92 3kcm s VAL 54 Cb -0.08 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3kcm s VAL 54 CO 0.04 0.30 -0.19 -0.69 0.00 0.00 0.00 175.10 174.56 3kcm s VAL 55 N -0.18 1.50 -0.36 2.92 1.01 -0.59 -0.99 120.40 123.72 3kcm s VAL 55 Ca 0.48 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3kcm s VAL 55 Cb -0.27 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 34.90 3kcm s VAL 55 CO 0.33 0.43 0.14 -0.63 0.00 0.00 0.00 175.10 175.36 3kcm s ILE 56 N -0.25 3.79 -0.36 2.22 -1.09 -0.80 -0.66 121.20 124.05 3kcm s ILE 56 Ca 0.03 -1.27 -0.19 0.00 -2.23 0.00 0.00 60.65 56.99 3kcm s ILE 56 Cb -0.09 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3kcm s ILE 56 CO 0.01 -0.28 0.57 -0.69 -1.23 0.00 0.00 174.94 173.32 3kcm s VAL 57 N 1.38 4.95 -0.10 2.92 1.01 -0.34 -0.72 120.40 129.50 3kcm s VAL 57 Ca -0.00 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.40 3kcm s VAL 57 Cb -0.20 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3kcm s VAL 57 CO 0.02 -0.29 -0.17 0.21 0.00 0.00 0.00 175.10 174.86 3kcm s ASN 58 N 1.79 3.67 -0.20 3.32 2.47 -0.62 0.24 114.94 125.62 3kcm s ASN 58 Ca 0.21 -0.38 -0.06 0.00 0.42 0.00 0.00 52.86 53.04 3kcm s ASN 58 Cb -0.15 -1.32 -0.03 0.00 -1.45 0.00 0.00 41.25 38.30 3kcm s ASN 58 CO 0.14 0.21 0.04 -0.36 -3.72 0.00 0.00 177.10 173.41 3kcm s PHE 59 N 0.09 3.13 0.30 0.43 0.40 -0.17 0.07 117.98 122.23 3kcm s PHE 59 Ca -0.08 -0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.00 3kcm s PHE 59 Cb -0.15 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.28 3kcm s PHE 59 CO 0.05 -0.07 0.45 1.67 0.70 0.00 0.00 175.22 178.03 3kcm s TRP 60 N 0.77 0.84 -0.04 0.36 1.48 -0.23 -3.07 118.94 119.06 3kcm s TRP 60 Ca 0.02 -1.12 -0.26 0.00 -1.06 0.00 0.00 56.10 53.68 3kcm s TRP 60 Cb -0.14 -0.03 0.05 0.00 -1.16 0.00 0.00 33.47 32.20 3kcm s TRP 60 CO 0.02 -1.06 0.56 0.00 -4.06 0.00 0.00 176.95 172.42 3kcm s ALA 61 N -3.43 -1.45 0.32 2.67 0.00 -1.26 -2.03 121.76 116.58 3kcm s ALA 61 Ca 0.29 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3kcm s ALA 61 Cb 0.00 0.01 0.54 0.00 0.00 0.00 0.00 23.12 23.67 3kcm s ALA 61 CO 0.16 -0.33 1.87 1.79 0.00 0.00 0.00 175.76 179.24 3kcm h THR 62 N 3.29 1.20 -0.04 0.00 1.35 -1.98 -2.82 112.91 113.92 3kcm h THR 62 Ca -0.28 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3kcm h THR 62 Cb 1.15 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3kcm h THR 62 CO 0.39 0.27 0.00 -2.67 -0.25 0.00 0.00 175.52 173.26 3kcm n TRP 63 N -4.29 0.05 -3.62 4.73 4.27 -1.26 -4.83 117.44 112.49 3kcm n TRP 63 Ca 0.03 -0.02 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 3kcm n TRP 63 Cb 0.23 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.06 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 8.40 0.78 -0.65 0.00 0.11 -1.89 -1.78 132.00 136.97 3kcm h PRO 65 Ca -0.25 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 3kcm h PRO 65 Cb 1.10 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3kcm h PRO 65 CO 0.66 0.63 0.15 -1.35 -0.21 0.00 0.00 178.00 177.87 3kcm h PRO 66 N 0.77 1.04 -0.72 1.05 0.11 -1.94 -1.76 132.00 130.55 3kcm h PRO 66 Ca 0.19 -0.26 0.14 0.00 0.11 0.00 0.00 66.00 66.18 3kcm h PRO 66 Cb 0.12 -0.13 -0.10 0.00 0.11 0.00 0.00 31.00 31.00 3kcm h PRO 66 CO -0.02 0.95 0.23 0.00 -0.21 0.00 0.00 178.00 178.95 3kcm h ARG 68 N 0.35 0.00 -0.55 0.00 3.08 -1.30 -2.99 114.38 112.98 3kcm h ARG 68 Ca 0.40 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.41 3kcm h ARG 68 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3kcm h ARG 68 CO -0.44 0.58 0.17 1.49 -1.07 0.00 0.00 179.97 180.71 3kcm h GLU 69 N 0.00 0.82 -0.01 0.04 4.22 -0.28 -3.22 114.58 116.15 3kcm h GLU 69 Ca -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.29 3kcm h GLU 69 Cb 1.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kcm h GLU 69 CO 0.08 0.71 -0.48 -0.85 -2.18 0.00 0.00 179.01 176.28 3kcm n GLU 70 N -4.30 0.96 -0.06 1.92 0.28 -0.97 -4.36 120.64 114.11 3kcm n GLU 70 Ca 0.04 -0.74 -0.09 0.00 -0.16 0.00 0.00 57.16 56.21 3kcm n GLU 70 Cb 0.20 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.56 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 1.82 0.99 -0.88 3.84 2.04 -1.54 -2.22 117.51 121.56 3kcm h ILE 71 Ca 0.00 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 65.92 3kcm h ILE 71 Cb 0.66 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 3kcm h ILE 71 CO 0.00 0.04 0.57 -0.65 0.00 0.00 0.00 178.15 178.11 3kcm h PRO 72 N 0.24 0.66 -5.94 2.37 0.11 -1.79 -3.43 132.00 124.22 3kcm h PRO 72 Ca 0.10 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 65.54 3kcm h PRO 72 Cb 0.03 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 30.91 3kcm h PRO 72 CO -0.07 0.43 1.85 -1.54 -0.21 0.00 0.00 178.00 178.46 3kcm s SER 73 N -5.79 6.60 0.00 -2.05 1.04 -0.84 -4.79 113.70 107.88 3kcm s SER 73 Ca -0.10 -1.98 0.00 0.00 0.48 0.00 0.00 55.95 54.36 3kcm s SER 73 Cb 0.22 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.76 3kcm s SER 73 CO 0.79 -1.41 0.00 0.54 0.98 0.00 0.00 173.24 174.14 3kcm n ARG 76 N 8.60 0.00 0.03 4.02 1.74 -1.26 -3.62 116.66 126.17 3kcm n ARG 76 Ca 0.42 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.38 3kcm n ARG 76 Cb 0.48 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.63 -0.16 0.55 5.85 -1.86 -3.10 115.31 117.21 3kcm h LEU 77 Ca 0.00 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3kcm h LEU 77 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3kcm h LEU 77 CO 0.00 1.16 0.07 -1.13 -0.34 0.00 0.00 178.44 178.21 3kcm h ASN 78 N 0.37 0.21 -0.68 1.25 -1.24 -1.96 -3.16 115.58 110.37 3kcm h ASN 78 Ca -0.03 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 56.87 3kcm h ASN 78 Cb 1.32 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.28 3kcm h ASN 78 CO 0.13 0.27 0.44 0.00 -1.29 0.00 0.00 177.43 176.98 3kcm h ALA 79 N 0.94 0.87 0.00 1.57 0.00 -2.00 -3.10 119.26 117.54 3kcm h ALA 79 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kcm h ALA 79 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kcm h ALA 79 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3kcm n ALA 80 N -2.30 1.54 -0.65 0.00 0.00 -1.17 -4.96 120.51 112.97 3kcm n ALA 80 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kcm n ALA 80 Cb 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.12 -2.79 0.00 0.00 0.00 -1.17 -4.99 120.51 112.68 3kcm n ALA 82 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kcm n ALA 82 Cb 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.11 2.46 3.91 0.00 0.00 -1.26 -5.07 105.19 105.34 3kcm n GLY 83 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.36 3.59 -1.20 1.61 -0.14 -1.26 -4.97 119.74 117.01 3kcm s LYS 84 Ca 0.00 0.04 -0.20 0.00 -1.36 0.00 0.00 55.97 54.45 3kcm s LYS 84 Cb 0.00 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 3kcm s LYS 84 CO 0.00 0.05 1.89 -0.35 -0.76 0.00 0.00 175.35 176.18 3kcm n PRO 85 N -1.53 2.29 -3.73 -1.68 -0.05 -1.26 -4.82 135.00 124.22 3kcm n PRO 85 Ca -0.01 -2.71 -0.12 0.00 -0.05 0.00 0.00 63.50 60.61 3kcm n PRO 85 Cb 0.55 -3.51 -0.10 0.00 -0.05 0.00 0.00 33.50 30.38 3kcm n PRO 85 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 175.50 175.57 3kcm s PHE 86 N 7.15 -0.48 0.11 0.54 5.36 -1.26 -2.23 117.98 127.17 3kcm s PHE 86 Ca 0.60 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 57.71 3kcm s PHE 86 Cb 0.04 0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.89 3kcm s PHE 86 CO 0.09 -0.25 0.07 0.54 -1.46 0.00 0.00 175.22 174.21 3kcm n ARG 87 N 3.31 0.43 0.00 10.12 5.12 -0.16 -4.97 116.66 130.52 3kcm n ARG 87 Ca -0.16 -1.06 0.00 0.00 -1.93 0.00 0.00 57.85 54.70 3kcm n ARG 87 Cb 0.57 0.73 0.00 0.00 -1.16 0.00 0.00 32.46 32.60 3kcm n ARG 87 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kcm n LEU 89 N 0.00 0.00 -4.31 0.55 4.77 0.10 -1.90 117.00 116.21 3kcm n LEU 89 Ca 0.01 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.53 3kcm n LEU 89 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3kcm n LEU 89 CO 0.10 0.00 0.29 0.00 -1.33 0.00 0.00 177.39 176.45 3kcm s VAL 91 N 0.71 3.99 -0.05 0.00 1.01 0.11 -2.02 120.40 124.15 3kcm s VAL 91 Ca 0.12 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 3kcm s VAL 91 Cb -0.18 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3kcm s VAL 91 CO -0.04 -0.36 0.45 -0.55 0.00 0.00 0.00 175.10 174.60 3kcm s SER 92 N 3.19 6.78 0.00 3.32 0.15 0.67 -1.06 113.70 126.75 3kcm s SER 92 Ca 0.62 0.93 0.18 0.00 0.70 0.00 0.00 55.95 58.37 3kcm s SER 92 Cb -0.21 -2.28 0.34 0.00 -1.71 0.00 0.00 66.02 62.17 3kcm s SER 92 CO 0.24 0.17 1.27 2.30 1.20 0.00 0.00 173.24 178.42 3kcm n ILE 93 N 2.65 0.56 -1.63 6.45 -5.35 -0.86 -1.01 119.36 120.17 3kcm n ILE 93 Ca -0.10 -0.78 -0.51 0.00 -0.27 0.00 0.00 62.75 61.08 3kcm n ILE 93 Cb 0.52 0.89 -0.06 0.00 -1.74 0.00 0.00 39.64 39.25 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 1.10 2.18 0.28 7.28 8.00 -1.26 -4.55 116.55 129.58 3kcm n ASP 94 Ca 0.15 1.09 0.13 0.00 0.71 0.00 0.00 54.79 56.88 3kcm n ASP 94 Cb 0.50 -1.24 0.81 0.00 -0.02 0.00 0.00 41.12 41.17 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 5.60 0.00 0.00 -1.24 4.81 -1.94 -2.27 114.58 119.54 3kcm h GLU 95 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kcm h GLU 95 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3kcm h GLU 95 CO 0.84 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 179.58 3kcm n GLY 96 N -1.10 -1.15 7.00 1.92 0.00 -1.26 -4.91 105.19 105.68 3kcm n GLY 96 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.10 1.94 0.24 -0.02 0.00 -0.85 -2.38 105.19 105.21 3kcm n GLY 97 Ca 0.17 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 0.21 -0.32 1.61 3.64 -1.95 -0.73 116.57 119.03 3kcm h LYS 98 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3kcm h LYS 98 Cb 0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3kcm h LYS 98 CO 0.00 0.14 0.17 0.28 -2.27 0.00 0.00 179.45 177.77 3kcm h VAL 99 N 0.22 1.01 -0.17 2.00 2.07 -1.98 0.28 116.25 119.69 3kcm h VAL 99 Ca 0.34 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.74 3kcm h VAL 99 Cb 0.55 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3kcm h VAL 99 CO -0.47 0.07 0.11 0.00 0.02 0.00 0.00 177.57 177.29 3kcm h ALA 100 N 1.15 0.21 -0.32 1.67 0.00 -1.08 -1.87 119.26 119.02 3kcm h ALA 100 Ca 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3kcm h ALA 100 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kcm h ALA 100 CO -0.07 -0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.17 3kcm h VAL 101 N 0.21 1.25 -0.66 0.00 2.07 -0.99 -1.95 116.25 116.19 3kcm h VAL 101 Ca 0.06 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3kcm h VAL 101 Cb 0.00 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3kcm h VAL 101 CO -0.01 0.31 0.34 -0.33 0.02 0.00 0.00 177.57 177.89 3kcm h GLU 102 N 0.36 0.59 0.48 1.57 4.39 -0.45 -0.92 114.58 120.60 3kcm h GLU 102 Ca 0.09 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3kcm h GLU 102 Cb 0.43 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3kcm h GLU 102 CO 0.02 0.39 -0.28 1.49 -1.16 0.00 0.00 179.01 179.46 3kcm h GLU 103 N 0.60 -0.69 -0.81 2.33 4.57 -1.17 -0.35 114.58 119.06 3kcm h GLU 103 Ca 0.31 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.69 3kcm h GLU 103 Cb 0.27 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 28.92 3kcm h GLU 103 CO -0.23 -0.46 0.38 0.35 -1.18 0.00 0.00 179.01 177.88 3kcm h PHE 104 N -0.72 0.66 -0.11 0.92 3.57 -1.02 -0.53 116.94 119.72 3kcm h PHE 104 Ca -0.06 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3kcm h PHE 104 Cb 0.58 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3kcm h PHE 104 CO -0.08 0.12 -0.51 0.74 -2.23 0.00 0.00 178.31 176.35 3kcm h PHE 105 N 0.54 0.35 0.08 0.41 0.04 -0.99 -2.00 116.94 115.37 3kcm h PHE 105 Ca 0.45 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 61.10 3kcm h PHE 105 Cb 0.67 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.75 3kcm h PHE 105 CO -0.12 0.74 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.20 3kcm h ARG 106 N 0.23 -0.10 -0.56 1.51 2.43 0.45 -1.78 114.38 116.55 3kcm h ARG 106 Ca 0.01 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 3kcm h ARG 106 Cb 0.98 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3kcm h ARG 106 CO 0.08 0.18 -0.05 0.87 -1.51 0.00 0.00 179.97 179.54 3kcm h LYS 107 N -0.38 1.03 0.00 0.20 1.57 -1.22 -3.29 116.57 114.48 3kcm h LYS 107 Ca -0.01 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.29 3kcm h LYS 107 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3kcm h LYS 107 CO 0.02 1.04 -1.20 1.79 -0.57 0.00 0.00 179.45 180.52 3kcm h THR 108 N 0.91 0.44 0.00 -0.16 1.35 -1.45 -3.48 112.91 110.52 3kcm h THR 108 Ca 0.15 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 3kcm h THR 108 Cb 0.61 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3kcm h THR 108 CO 0.04 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 3kcm n GLY 109 N 1.33 0.72 3.86 5.82 0.00 -0.67 -5.04 105.19 111.20 3kcm n GLY 109 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.59 3.53 -0.14 1.61 2.99 -1.23 -5.04 117.98 117.09 3kcm s PHE 110 Ca 0.00 1.38 -0.23 0.00 0.00 0.00 0.00 56.93 58.08 3kcm s PHE 110 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 43.02 40.32 3kcm s PHE 110 CO 0.00 -0.57 0.58 -0.08 -0.00 0.00 0.00 175.22 175.15 3kcm s THR 111 N -2.92 0.01 0.17 0.64 -1.32 -1.26 -4.70 115.64 106.26 3kcm s THR 111 Ca 0.57 -0.07 -0.20 0.00 -1.21 0.00 0.00 61.69 60.78 3kcm s THR 111 Cb -0.11 -0.85 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 3kcm s THR 111 CO 0.44 -0.04 0.54 -0.76 -2.21 0.00 0.00 174.62 172.59 3kcm s LEU 112 N -0.37 -0.17 -0.94 9.08 1.43 -1.26 -5.09 118.68 121.36 3kcm s LEU 112 Ca -0.05 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 3kcm s LEU 112 Cb -0.03 2.33 0.04 0.00 0.03 0.00 0.00 46.19 48.56 3kcm s LEU 112 CO 0.04 -0.99 1.40 -2.84 0.23 0.00 0.00 176.35 174.19 3kcm s PRO 113 N -3.80 3.47 -0.00 1.29 0.02 -1.26 -4.98 135.00 129.73 3kcm s PRO 113 Ca 0.04 -0.86 -0.14 0.00 0.02 0.00 0.00 61.00 60.06 3kcm s PRO 113 Cb -0.01 -5.02 -0.06 0.00 0.02 0.00 0.00 34.50 29.44 3kcm s PRO 113 CO -0.09 -2.20 0.40 0.08 -0.33 0.00 0.00 177.00 174.86 3kcm s VAL 114 N 5.23 5.05 0.08 3.83 1.01 -1.26 -1.18 120.40 133.16 3kcm s VAL 114 Ca 0.43 0.80 0.09 0.00 0.00 0.00 0.00 61.98 63.31 3kcm s VAL 114 Cb -0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3kcm s VAL 114 CO -0.03 0.58 -0.23 -0.76 0.00 0.00 0.00 175.10 174.66 3kcm s LEU 115 N -1.09 2.40 -0.12 3.92 1.43 -0.86 -3.82 118.68 120.54 3kcm s LEU 115 Ca 0.23 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3kcm s LEU 115 Cb -0.16 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3kcm s LEU 115 CO 0.13 0.22 0.05 -0.76 0.23 0.00 0.00 176.35 176.22 3kcm s LEU 116 N -1.67 3.83 -0.34 1.79 1.43 -0.62 -0.24 118.68 122.86 3kcm s LEU 116 Ca 0.14 0.21 0.15 0.00 -1.03 0.00 0.00 54.13 53.60 3kcm s LEU 116 Cb -0.10 -1.91 0.44 0.00 0.03 0.00 0.00 46.19 44.64 3kcm s LEU 116 CO 0.05 0.34 1.15 -0.67 0.23 0.00 0.00 176.35 177.45 3kcm n ASP 117 N 2.45 0.06 -0.41 2.29 2.03 -0.18 -4.45 116.55 118.34 3kcm n ASP 117 Ca -0.18 -2.52 0.39 0.00 0.52 0.00 0.00 54.79 53.00 3kcm n ASP 117 Cb 0.54 0.11 0.76 0.00 -0.72 0.00 0.00 41.12 41.81 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 2.47 3.29 -0.01 -1.67 0.00 -1.71 0.22 119.26 121.84 3kcm h ALA 118 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kcm h ALA 118 Cb 1.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kcm h ALA 118 CO 0.22 -1.70 -0.08 -0.40 0.00 0.00 0.00 179.25 177.30 3kcm n ASP 119 N -4.09 1.37 -0.00 0.00 3.85 -1.26 -4.46 116.55 111.96 3kcm n ASP 119 Ca 0.30 -1.32 -0.00 0.00 -0.71 0.00 0.00 54.79 53.06 3kcm n ASP 119 Cb 1.43 0.04 -0.00 0.00 -1.35 0.00 0.00 41.12 41.24 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 -0.06 -0.98 0.15 0.11 4.76 0.06 -4.91 118.16 117.29 3kcm n LYS 120 Ca 0.17 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 3kcm n LYS 120 Cb 0.36 -3.98 0.21 0.00 -1.84 0.00 0.00 35.03 29.77 3kcm n LYS 120 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3kcm h ARG 121 N 0.51 0.00 0.03 1.97 0.11 -1.92 -0.93 114.38 114.15 3kcm h ARG 121 Ca -0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 3kcm h ARG 121 Cb 0.49 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 3kcm h ARG 121 CO 0.00 0.56 -1.01 0.28 0.10 0.00 0.00 179.97 179.90 3kcm h VAL 122 N 0.00 1.61 -0.31 0.08 2.07 -1.90 0.78 116.25 118.58 3kcm h VAL 122 Ca -0.01 -3.12 -0.00 0.00 0.82 0.00 0.00 66.70 64.39 3kcm h VAL 122 Cb 1.05 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 3kcm h VAL 122 CO 0.07 0.90 0.19 1.23 0.02 0.00 0.00 177.57 179.98 3kcm h GLY 123 N 2.39 0.44 1.01 2.17 0.00 -1.90 -0.21 103.07 106.98 3kcm h GLY 123 Ca -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3kcm h GLY 123 CO 0.15 0.18 0.50 0.50 0.00 0.00 0.00 176.54 177.87 3kcm h LYS 124 N 0.39 1.14 -0.50 4.80 1.57 -1.13 -0.06 116.57 122.79 3kcm h LYS 124 Ca 0.11 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kcm h LYS 124 Cb 0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 3kcm h LYS 124 CO -0.02 0.80 0.33 1.25 -0.57 0.00 0.00 179.45 181.25 3kcm h LEU 125 N 1.15 0.46 -0.24 2.94 5.85 -0.52 -2.16 115.31 122.79 3kcm h LEU 125 Ca 0.30 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3kcm h LEU 125 Cb -0.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3kcm h LEU 125 CO -0.06 0.31 -0.30 -1.22 -0.34 0.00 0.00 178.44 176.83 3kcm n TYR 126 N -4.47 0.00 -1.39 1.25 4.02 -0.12 -4.94 117.16 111.51 3kcm n TYR 126 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.91 3kcm n TYR 126 Cb 0.17 -0.20 -0.01 0.00 -0.02 0.00 0.00 39.34 39.28 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 1.40 0.57 3.79 2.72 0.00 -0.13 -5.01 105.19 108.53 3kcm n GLY 127 Ca 0.10 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.18 3.55 -0.02 2.61 -4.23 -0.82 -4.99 115.64 109.56 3kcm s THR 128 Ca 0.00 0.70 0.02 0.00 -1.18 0.00 0.00 61.69 61.23 3kcm s THR 128 Cb 0.00 -3.24 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 3kcm s THR 128 CO 0.00 -0.46 0.01 0.41 -0.54 0.00 0.00 174.62 174.03 3kcm n THR 129 N -2.34 0.14 -3.40 3.99 -1.04 -1.26 -4.81 114.28 105.56 3kcm n THR 129 Ca 0.09 -0.09 -0.01 0.00 -2.04 0.00 0.00 64.05 62.01 3kcm n THR 129 Cb 0.52 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 2.90 1.36 3.10 3.41 0.00 -1.26 -5.19 105.19 109.52 3kcm n GLY 130 Ca -0.03 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.59 0.95 0.35 1.61 -7.23 -1.26 -4.44 120.40 107.78 3kcm s VAL 131 Ca 0.03 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 3kcm s VAL 131 Cb -0.00 -0.86 -0.07 0.00 0.56 0.00 0.00 36.38 36.00 3kcm s VAL 131 CO 0.01 -0.00 0.70 -2.16 -0.31 0.00 0.00 175.10 173.34 3kcm s PRO 132 N -0.98 3.82 -0.10 4.82 0.04 -1.26 -4.74 135.00 136.60 3kcm s PRO 132 Ca 0.01 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.41 3kcm s PRO 132 Cb -0.07 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 32.04 3kcm s PRO 132 CO 0.01 0.09 0.24 -2.00 0.04 0.00 0.00 177.00 175.38 3kcm s GLU 133 N -3.45 0.23 -0.02 4.56 2.12 -1.17 -1.12 118.70 119.84 3kcm s GLU 133 Ca 0.50 0.43 0.02 0.00 0.36 0.00 0.00 54.97 56.28 3kcm s GLU 133 Cb -0.10 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.28 3kcm s GLU 133 CO 0.26 -0.10 -0.06 0.99 -0.54 0.00 0.00 175.26 175.81 3kcm s THR 134 N 0.74 0.57 0.01 -1.70 2.01 0.07 -1.00 115.64 116.34 3kcm s THR 134 Ca -0.05 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.79 3kcm s THR 134 Cb -0.06 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 3kcm s THR 134 CO -0.04 0.19 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.46 3kcm s PHE 135 N 0.25 2.29 -0.12 4.92 0.40 0.14 0.02 117.98 125.88 3kcm s PHE 135 Ca -0.03 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 3kcm s PHE 135 Cb -0.08 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 42.05 3kcm s PHE 135 CO 0.00 0.04 -0.17 0.08 0.70 0.00 0.00 175.22 175.87 3kcm s VAL 136 N -0.70 1.68 -0.10 -0.44 1.01 -0.35 -1.19 120.40 120.30 3kcm s VAL 136 Ca 0.11 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kcm s VAL 136 Cb -0.10 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kcm s VAL 136 CO 0.01 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 3kcm s ILE 137 N 0.99 1.27 0.91 2.22 1.01 0.16 0.54 121.20 128.30 3kcm s ILE 137 Ca -0.05 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 3kcm s ILE 137 Cb -0.15 -1.20 0.17 0.00 0.01 0.00 0.00 42.46 41.29 3kcm s ILE 137 CO -0.03 0.40 1.26 1.51 0.00 0.00 0.00 174.94 178.08 3kcm s ASP 138 N 1.17 3.52 0.59 3.58 -4.77 0.26 -1.54 116.67 119.48 3kcm s ASP 138 Ca -0.04 0.30 0.28 0.00 -3.30 0.00 0.00 52.55 49.80 3kcm s ASP 138 Cb -0.14 -0.47 1.68 0.00 -1.09 0.00 0.00 42.92 42.90 3kcm s ASP 138 CO -0.03 -2.48 2.14 0.03 0.70 0.00 0.00 175.17 175.53 3kcm h ARG 139 N -1.41 0.00 -0.51 2.11 3.08 -1.88 0.18 114.38 115.95 3kcm h ARG 139 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3kcm h ARG 139 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3kcm h ARG 139 CO 0.44 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.06 3kcm n HIS 140 N -3.85 0.73 -1.02 3.04 8.25 -1.26 -0.61 115.22 120.50 3kcm n HIS 140 Ca 0.00 -0.34 -0.01 0.00 -0.26 0.00 0.00 57.72 57.12 3kcm n HIS 140 Cb 0.26 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.15 0.48 3.76 -1.41 0.00 0.65 -5.02 105.19 104.80 3kcm n GLY 141 Ca 0.16 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.94 4.99 -0.15 1.61 1.01 -1.25 -1.69 120.40 122.98 3kcm s VAL 142 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 3kcm s VAL 142 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3kcm s VAL 142 CO 0.00 0.42 1.36 -0.63 0.00 0.00 0.00 175.10 176.25 3kcm s ILE 143 N -0.14 4.11 -0.20 2.22 1.01 -1.14 -0.57 121.20 126.48 3kcm s ILE 143 Ca 0.29 1.33 0.12 0.00 0.00 0.00 0.00 60.65 62.39 3kcm s ILE 143 Cb -0.17 -3.89 -0.23 0.00 0.01 0.00 0.00 42.46 38.19 3kcm s ILE 143 CO 0.15 -0.15 0.04 -0.11 0.00 0.00 0.00 174.94 174.87 3kcm n LEU 144 N 6.85 1.00 -3.75 2.97 7.94 0.19 -0.10 117.00 132.09 3kcm n LEU 144 Ca 0.15 -0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.92 3kcm n LEU 144 Cb 0.45 0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.31 3kcm n LEU 144 CO 0.58 0.63 0.03 -0.75 -1.11 0.00 0.00 177.39 176.77 3kcm s LYS 145 N -2.51 0.45 -0.15 1.96 2.47 -1.08 -4.66 119.74 116.22 3kcm s LYS 145 Ca -0.17 0.41 0.01 0.00 -1.56 0.00 0.00 55.97 54.66 3kcm s LYS 145 Cb 0.07 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.66 3kcm s LYS 145 CO 0.76 -0.07 -0.17 0.21 0.16 0.00 0.00 175.35 176.25 3kcm s LYS 146 N -0.00 3.17 -0.15 4.03 2.20 -1.26 -1.21 119.74 126.51 3kcm s LYS 146 Ca -0.02 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.83 3kcm s LYS 146 Cb -0.03 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 3kcm s LYS 146 CO 0.01 0.01 -0.17 0.08 -0.36 0.00 0.00 175.35 174.92 3kcm s VAL 147 N 0.82 2.50 -0.24 4.02 1.01 0.10 -4.96 120.40 123.64 3kcm s VAL 147 Ca -0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 3kcm s VAL 147 Cb -0.15 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3kcm s VAL 147 CO -0.01 0.53 0.16 -0.69 0.00 0.00 0.00 175.10 175.09 3kcm s VAL 148 N 0.78 5.32 0.00 2.92 1.01 -1.26 -0.75 120.40 128.42 3kcm s VAL 148 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3kcm s VAL 148 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3kcm s VAL 148 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3kcm n GLY 149 N 4.37 -0.05 3.15 4.51 0.00 -0.28 -5.02 105.19 111.86 3kcm n GLY 149 Ca -0.15 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 0.09 -4.53 -3.72 4.61 0.00 -1.26 -4.88 120.51 110.82 3kcm n ALA 150 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 53.44 52.41 3kcm n ALA 150 Cb 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.59 1.25 0.00 0.00 2.56 -1.26 -5.06 118.70 113.60 3kcm s GLU 152 Ca 0.46 -1.94 0.21 0.00 0.00 0.00 0.00 54.97 53.70 3kcm s GLU 152 Cb -0.17 -2.34 1.02 0.00 2.00 0.00 0.00 34.13 34.64 3kcm s GLU 152 CO 0.76 -1.14 1.66 0.91 -0.56 0.00 0.00 175.26 176.89 3kcm n TRP 153 N 3.66 0.00 0.37 5.30 7.02 -1.26 -2.49 117.44 130.03 3kcm n TRP 153 Ca 0.08 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.68 3kcm n TRP 153 Cb 0.35 -0.33 0.19 0.00 -2.42 0.00 0.00 31.31 29.10 3kcm n TRP 153 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 3kcm h ASP 154 N 0.00 0.00 -4.18 -0.99 -0.00 -1.94 -3.43 116.42 105.89 3kcm h ASP 154 Ca 0.00 -0.05 -0.49 0.00 -0.00 0.00 0.00 57.03 56.50 3kcm h ASP 154 Cb 0.23 0.00 0.05 0.00 -0.00 0.00 0.00 39.33 39.61 3kcm h ASP 154 CO 0.00 0.02 0.38 -1.00 -0.00 0.00 0.00 179.24 178.64 3kcm s HIS 155 N -3.21 3.06 0.16 4.15 3.76 -1.04 -4.82 115.29 117.35 3kcm s HIS 155 Ca 0.06 1.51 -0.17 0.00 -0.15 0.00 0.00 55.06 56.32 3kcm s HIS 155 Cb 0.10 -2.99 0.09 0.00 1.11 0.00 0.00 32.58 30.88 3kcm s HIS 155 CO 0.69 -0.96 1.70 -1.35 -0.85 0.00 0.00 174.74 173.97 3kcm h PRO 156 N 0.68 0.09 -0.61 8.40 0.11 -1.93 -2.58 132.00 136.17 3kcm h PRO 156 Ca -0.47 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.71 3kcm h PRO 156 Cb 1.22 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3kcm h PRO 156 CO 0.58 0.06 0.27 0.93 -0.21 0.00 0.00 178.00 179.64 3kcm h GLU 157 N 0.10 0.48 0.32 1.05 3.07 -1.98 0.32 114.58 117.94 3kcm h GLU 157 Ca 0.18 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 3kcm h GLU 157 Cb 0.25 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3kcm h GLU 157 CO -0.30 0.32 -0.15 0.28 -1.40 0.00 0.00 179.01 177.75 3kcm h VAL 158 N 0.49 0.70 -0.63 3.13 2.07 -1.83 0.20 116.25 120.38 3kcm h VAL 158 Ca 0.29 -0.48 0.12 0.00 0.82 0.00 0.00 66.70 67.45 3kcm h VAL 158 Cb 0.30 0.95 -0.12 0.00 -1.52 0.00 0.00 31.29 30.89 3kcm h VAL 158 CO -0.25 0.10 -0.20 0.40 0.02 0.00 0.00 177.57 177.63 3kcm h ILE 159 N -0.70 0.30 0.00 4.57 1.08 -1.31 -0.33 117.51 121.12 3kcm h ILE 159 Ca -0.04 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.31 3kcm h ILE 159 Cb 0.48 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 3kcm h ILE 159 CO 0.07 0.00 -0.54 0.00 -0.69 0.00 0.00 178.15 176.99 3kcm h ALA 160 N 1.48 0.82 -0.82 1.87 0.00 -0.85 -1.58 119.26 120.19 3kcm h ALA 160 Ca 0.29 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kcm h ALA 160 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3kcm h ALA 160 CO -0.67 0.67 0.44 0.35 0.00 0.00 0.00 179.25 180.05 3kcm h PHE 161 N 0.00 1.13 -0.14 0.00 3.57 0.03 -2.82 116.94 118.72 3kcm h PHE 161 Ca -0.01 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3kcm h PHE 161 Cb 1.17 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3kcm h PHE 161 CO 0.00 0.80 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.76 3kcm h LEU 162 N 1.14 0.28 -0.85 0.59 3.38 -0.69 -3.26 115.31 115.90 3kcm h LEU 162 Ca 0.29 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kcm h LEU 162 Cb 0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3kcm h LEU 162 CO -0.04 0.60 0.53 0.78 0.09 0.00 0.00 178.44 180.40 3kcm h ASN 163 N -0.04 0.85 -0.44 -0.43 2.35 -1.32 0.59 115.58 117.13 3kcm h ASN 163 Ca 0.03 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 55.92 3kcm h ASN 163 Cb 0.48 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3kcm h ASN 163 CO 0.02 0.56 0.66 -1.13 -1.65 0.00 0.00 177.43 175.89 3kcm h ASN 164 N 1.00 0.00 -0.02 5.81 -0.00 -1.54 -3.52 115.58 117.32 3kcm h ASN 164 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 3kcm h ASN 164 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 3kcm h ASN 164 CO -0.15 0.00 0.00 1.21 -0.00 0.00 0.00 177.43 178.49