#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbp s VAL 3 N 0.00 3.14 0.05 2.41 1.01 -1.26 -5.01 120.40 120.74 1bbp s VAL 3 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.25 1bbp s VAL 3 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1bbp s VAL 3 CO 0.00 -0.42 0.12 -0.31 0.00 0.00 0.00 175.10 174.50 1bbp s TYR 4 N 1.19 3.32 0.09 5.22 2.02 -1.26 -1.22 117.35 126.71 1bbp s TYR 4 Ca 0.02 0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.87 1bbp s TYR 4 Cb -0.21 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1bbp s TYR 4 CO -0.03 0.55 0.04 -1.01 -1.57 0.00 0.00 175.55 173.54 1bbp s HIS 5 N -1.39 0.59 0.37 2.71 3.76 0.82 -4.99 115.29 117.15 1bbp s HIS 5 Ca 0.30 -1.05 -0.25 0.00 -0.15 0.00 0.00 55.06 53.91 1bbp s HIS 5 Cb -0.12 -0.36 -0.09 0.00 1.11 0.00 0.00 32.58 33.11 1bbp s HIS 5 CO 0.22 -0.47 1.01 0.34 -0.85 0.00 0.00 174.74 174.99 1bbp s ASP 6 N -2.96 7.00 0.00 1.40 3.68 -1.26 -0.78 116.67 123.75 1bbp s ASP 6 Ca 0.13 1.95 0.00 0.00 2.13 0.00 0.00 52.55 56.76 1bbp s ASP 6 Cb 0.07 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 1bbp s ASP 6 CO -0.05 -0.32 0.00 0.61 0.13 0.00 0.00 175.17 175.54 1bbp n GLY 7 N 0.37 -2.74 3.83 2.66 0.00 -0.54 -4.77 105.19 104.01 1bbp n GLY 7 Ca 0.04 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 1bbp n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbp s ALA 8 N -1.55 2.40 0.26 4.61 0.00 -1.26 -3.35 121.76 122.87 1bbp s ALA 8 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 1bbp s ALA 8 Cb 0.00 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 1bbp s ALA 8 CO 0.00 -1.63 1.65 0.00 0.00 0.00 0.00 175.76 175.78 1bbp s PRO 10 N 0.12 2.42 -0.40 0.00 0.04 -1.26 -4.96 135.00 130.96 1bbp s PRO 10 Ca 0.68 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 1bbp s PRO 10 Cb -0.49 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1bbp s PRO 10 CO 0.42 -1.63 1.09 -2.00 0.04 0.00 0.00 177.00 174.92 1bbp s GLU 11 N -3.71 3.88 0.03 4.56 2.12 -1.26 -5.00 118.70 119.31 1bbp s GLU 11 Ca 0.76 0.77 0.05 0.00 0.36 0.00 0.00 54.97 56.91 1bbp s GLU 11 Cb -0.30 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.23 1bbp s GLU 11 CO 0.42 -1.13 -0.09 0.08 -0.54 0.00 0.00 175.26 173.99 1bbp s VAL 12 N 4.01 3.45 -0.30 3.70 1.01 -1.26 -5.10 120.40 125.90 1bbp s VAL 12 Ca 0.46 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1bbp s VAL 12 Cb -0.10 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1bbp s VAL 12 CO 0.23 0.33 0.09 -1.59 0.00 0.00 0.00 175.10 174.16 1bbp s LYS 13 N -1.57 3.07 0.63 2.72 -2.85 -1.26 -5.11 119.74 115.36 1bbp s LYS 13 Ca 0.18 -0.88 -0.07 0.00 -1.00 0.00 0.00 55.97 54.20 1bbp s LYS 13 Cb -0.11 -3.40 0.02 0.00 -2.06 0.00 0.00 37.83 32.28 1bbp s LYS 13 CO 0.08 -0.46 0.95 -1.25 0.10 0.00 0.00 175.35 174.77 1bbp s PRO 14 N 1.50 2.79 0.43 1.78 0.05 -1.26 -4.77 135.00 135.51 1bbp s PRO 14 Ca 0.02 0.04 -0.26 0.00 0.05 0.00 0.00 61.00 60.85 1bbp s PRO 14 Cb -0.17 -2.21 -0.09 0.00 0.05 0.00 0.00 34.50 32.07 1bbp s PRO 14 CO 0.03 -0.85 1.47 0.14 0.05 0.00 0.00 177.00 177.84 1bbp s VAL 15 N -3.10 2.00 -1.85 -0.36 -7.23 -0.28 -4.72 120.40 104.86 1bbp s VAL 15 Ca 0.56 0.00 0.25 0.00 -1.81 0.00 0.00 61.98 60.98 1bbp s VAL 15 Cb -0.11 -3.00 0.20 0.00 0.56 0.00 0.00 36.38 34.03 1bbp s VAL 15 CO 0.46 0.00 1.44 -0.90 -0.31 0.00 0.00 175.10 175.79 1bbp n ASP 16 N 0.03 1.32 -1.79 4.85 5.75 -1.26 0.02 116.55 125.47 1bbp n ASP 16 Ca 0.04 -1.08 -0.06 0.00 -0.01 0.00 0.00 54.79 53.68 1bbp n ASP 16 Cb 0.41 0.23 0.07 0.00 -1.03 0.00 0.00 41.12 40.80 1bbp n ASP 16 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bbp n ASN 17 N -0.46 2.63 -4.71 -1.12 0.23 -0.79 -4.41 115.26 106.63 1bbp n ASN 17 Ca 0.12 -3.05 -0.42 0.00 -0.53 0.00 0.00 54.58 50.70 1bbp n ASN 17 Cb 0.38 -0.41 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 1bbp n ASN 17 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1bbp s PHE 18 N -2.93 2.63 -0.60 -2.53 2.19 0.15 -4.95 117.98 111.94 1bbp s PHE 18 Ca 0.39 0.29 -0.16 0.00 0.33 0.00 0.00 56.93 57.77 1bbp s PHE 18 Cb 0.37 -4.08 0.14 0.00 -1.31 0.00 0.00 43.02 38.14 1bbp s PHE 18 CO -0.04 -4.23 0.59 0.34 1.83 0.00 0.00 175.22 173.71 1bbp s ASP 19 N 1.84 6.28 0.57 6.13 3.68 -1.26 -3.99 116.67 129.91 1bbp s ASP 19 Ca 0.76 -1.86 0.31 0.00 2.13 0.00 0.00 52.55 53.89 1bbp s ASP 19 Cb -0.46 -2.23 1.70 0.00 -1.45 0.00 0.00 42.92 40.48 1bbp s ASP 19 CO 0.33 -0.87 2.16 -0.25 0.13 0.00 0.00 175.17 176.68 1bbp h TRP 20 N 8.79 0.00 -0.90 -5.34 2.91 -1.93 -1.51 115.95 117.97 1bbp h TRP 20 Ca -0.23 0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.84 1bbp h TRP 20 Cb 1.09 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.68 1bbp h TRP 20 CO 0.80 0.06 0.57 0.77 -1.03 0.00 0.00 178.44 179.61 1bbp h SER 21 N 0.00 0.92 0.82 2.65 0.02 -1.97 -1.87 113.55 114.12 1bbp h SER 21 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1bbp h SER 21 Cb 0.20 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1bbp h SER 21 CO 0.01 0.61 0.00 -3.20 -1.14 0.00 0.00 176.83 173.10 1bbp n ASN 22 N -4.56 0.00 -4.13 3.07 5.15 -0.57 -4.45 115.26 109.76 1bbp n ASN 22 Ca 0.13 0.25 -0.42 0.00 -0.60 0.00 0.00 54.58 53.94 1bbp n ASN 22 Cb 0.15 -0.42 -0.01 0.00 -0.53 0.00 0.00 39.78 38.97 1bbp n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bbp n TYR 23 N -1.42 3.83 -3.74 1.20 -0.00 -0.70 -4.84 117.16 111.50 1bbp n TYR 23 Ca 0.10 -2.73 -0.09 0.00 -0.00 0.00 0.00 57.90 55.17 1bbp n TYR 23 Cb 0.30 -2.53 -0.03 0.00 -0.00 0.00 0.00 39.34 37.07 1bbp n TYR 23 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.86 173.48 1bbp s HIS 24 N 4.29 -0.16 0.00 2.98 -3.43 -1.26 -4.77 115.29 112.95 1bbp s HIS 24 Ca 0.52 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 1bbp s HIS 24 Cb 0.09 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1bbp s HIS 24 CO 0.01 -0.97 0.00 0.41 -2.00 0.00 0.00 174.74 172.19 1bbp n GLY 25 N -0.37 -1.78 3.58 -1.38 0.00 0.92 -4.83 105.19 101.32 1bbp n GLY 25 Ca -0.09 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 1bbp n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bbp s LYS 26 N 0.00 3.82 -0.18 1.61 2.20 -1.26 -0.40 119.74 125.53 1bbp s LYS 26 Ca 0.00 -0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 1bbp s LYS 26 Cb 0.00 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 1bbp s LYS 26 CO 0.00 -0.34 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.00 1bbp s TRP 27 N 1.95 2.93 0.17 4.03 0.52 -0.07 -4.61 118.94 123.85 1bbp s TRP 27 Ca 0.11 -0.70 -0.27 0.00 0.02 0.00 0.00 56.10 55.26 1bbp s TRP 27 Cb -0.16 -2.00 -0.08 0.00 -1.15 0.00 0.00 33.47 30.08 1bbp s TRP 27 CO 0.11 -0.33 0.83 -1.58 0.02 0.00 0.00 176.95 175.99 1bbp s TRP 28 N 0.90 3.90 -0.73 -1.98 0.52 0.11 -0.38 118.94 121.28 1bbp s TRP 28 Ca -0.01 1.70 -0.21 0.00 0.02 0.00 0.00 56.10 57.60 1bbp s TRP 28 Cb -0.15 -2.84 0.10 0.00 -1.15 0.00 0.00 33.47 29.42 1bbp s TRP 28 CO 0.01 0.45 0.97 -1.83 0.02 0.00 0.00 176.95 176.57 1bbp s GLU 29 N -0.95 3.26 0.14 4.98 -1.05 0.17 -1.28 118.70 123.97 1bbp s GLU 29 Ca 0.38 -1.23 -0.11 0.00 -0.15 0.00 0.00 54.97 53.86 1bbp s GLU 29 Cb -0.24 -4.46 -0.05 0.00 -0.44 0.00 0.00 34.13 28.95 1bbp s GLU 29 CO 0.28 -1.75 1.46 0.28 0.95 0.00 0.00 175.26 176.48 1bbp h VAL 30 N 5.91 1.27 -4.23 1.83 2.07 -1.06 -3.39 116.25 118.66 1bbp h VAL 30 Ca -0.14 -1.57 -0.16 0.00 0.82 0.00 0.00 66.70 65.64 1bbp h VAL 30 Cb 1.06 1.42 -0.14 0.00 -1.52 0.00 0.00 31.29 32.11 1bbp h VAL 30 CO 1.14 0.53 -0.51 0.00 0.02 0.00 0.00 177.57 178.74 1bbp s ALA 31 N -4.36 0.56 0.20 1.67 0.00 -1.07 -0.70 121.76 118.07 1bbp s ALA 31 Ca -0.11 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 1bbp s ALA 31 Cb 0.11 0.94 0.05 0.00 0.00 0.00 0.00 23.12 24.21 1bbp s ALA 31 CO 0.88 -0.57 0.62 -1.59 0.00 0.00 0.00 175.76 175.10 1bbp s LYS 32 N -4.03 1.46 0.18 0.00 -2.85 -0.44 -0.30 119.74 113.76 1bbp s LYS 32 Ca 0.23 -0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 54.20 1bbp s LYS 32 Cb 0.06 0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 36.33 1bbp s LYS 32 CO 0.03 -0.65 1.04 0.71 0.10 0.00 0.00 175.35 176.58 1bbp s TYR 33 N -3.83 3.71 0.60 1.78 4.12 -0.49 -0.56 117.35 122.69 1bbp s TYR 33 Ca 0.06 1.71 -0.20 0.00 0.02 0.00 0.00 57.07 58.66 1bbp s TYR 33 Cb -0.03 -3.17 -0.03 0.00 -1.52 0.00 0.00 41.96 37.22 1bbp s TYR 33 CO -0.05 -0.21 1.31 -2.30 0.02 0.00 0.00 175.55 174.32 1bbp n PRO 34 N 2.25 1.36 -3.87 -1.71 -0.02 -1.26 -4.66 135.00 127.09 1bbp n PRO 34 Ca 0.02 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 1bbp n PRO 34 Cb 0.47 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 1bbp n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bbp s ASN 35 N -1.17 0.12 0.35 2.55 2.20 -1.26 -3.36 114.94 114.37 1bbp s ASN 35 Ca 0.78 -0.67 0.12 0.00 -0.94 0.00 0.00 52.86 52.14 1bbp s ASN 35 Cb -0.40 0.34 0.62 0.00 -2.00 0.00 0.00 41.25 39.82 1bbp s ASN 35 CO 0.44 -0.74 1.77 0.28 -2.94 0.00 0.00 177.10 175.92 1bbp h SER 36 N 2.74 0.00 0.58 3.54 0.02 -1.99 -2.92 113.55 115.52 1bbp h SER 36 Ca -0.34 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.47 1bbp h SER 36 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1bbp h SER 36 CO 0.56 0.44 -0.65 1.62 -1.14 0.00 0.00 176.83 177.66 1bbp h VAL 37 N 0.00 1.45 -0.66 2.27 3.04 -2.01 -3.21 116.25 117.12 1bbp h VAL 37 Ca -0.00 -2.18 0.00 0.00 -1.01 0.00 0.00 66.70 63.51 1bbp h VAL 37 Cb 0.77 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 1bbp h VAL 37 CO 0.06 0.63 0.00 -0.62 -1.01 0.00 0.00 177.57 176.62 1bbp n GLU 38 N -3.79 2.64 -1.62 4.17 1.02 -1.16 -4.95 120.64 116.95 1bbp n GLU 38 Ca -0.01 -2.54 -0.60 0.00 -0.02 0.00 0.00 57.16 53.98 1bbp n GLU 38 Cb 0.64 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 1bbp n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bbp n LYS 39 N 1.60 0.34 -0.44 3.49 4.81 -1.11 -1.57 118.16 125.28 1bbp n LYS 39 Ca 0.23 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1bbp n LYS 39 Cb 0.61 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1bbp n LYS 39 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bbp n TYR 40 N 2.95 0.00 -2.54 5.64 0.53 -1.26 -4.98 117.16 117.49 1bbp n TYR 40 Ca 0.24 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.75 1bbp n TYR 40 Cb 0.06 -0.32 -0.04 0.00 -1.03 0.00 0.00 39.34 38.01 1bbp n TYR 40 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1bbp s GLY 41 N -2.00 2.80 0.32 2.72 0.00 -0.61 -4.76 107.32 105.78 1bbp s GLY 41 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 44.72 45.50 1bbp s GLY 41 CO 0.00 1.19 -0.01 0.54 0.00 0.00 0.00 173.10 174.82 1bbp s LYS 42 N -2.30 1.66 -1.29 2.90 1.02 -0.14 -4.90 119.74 116.68 1bbp s LYS 42 Ca 0.55 -1.88 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 1bbp s LYS 42 Cb -0.24 -1.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1bbp s LYS 42 CO 0.30 -0.05 0.58 0.00 -0.92 0.00 0.00 175.35 175.26 1bbp s GLY 44 N -4.01 2.46 0.15 0.00 0.00 -1.26 -4.21 107.32 100.45 1bbp s GLY 44 Ca 0.19 0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 1bbp s GLY 44 CO 0.88 0.44 0.37 0.66 0.00 0.00 0.00 173.10 175.45 1bbp s TRP 45 N -1.85 0.05 0.01 1.90 -2.14 0.38 -0.65 118.94 116.64 1bbp s TRP 45 Ca 0.52 -0.41 0.07 0.00 2.66 0.00 0.00 56.10 58.94 1bbp s TRP 45 Cb -0.12 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.38 1bbp s TRP 45 CO 0.18 -0.75 -0.21 0.00 -2.66 0.00 0.00 176.95 173.51 1bbp s ALA 46 N -3.88 2.42 -0.18 2.67 0.00 0.49 -0.15 121.76 123.13 1bbp s ALA 46 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1bbp s ALA 46 Cb 0.02 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1bbp s ALA 46 CO -0.05 0.55 -0.07 -2.00 0.00 0.00 0.00 175.76 174.18 1bbp s GLU 47 N -1.05 1.70 -0.21 0.00 2.12 0.14 -0.89 118.70 120.50 1bbp s GLU 47 Ca 0.12 -0.68 -0.05 0.00 0.36 0.00 0.00 54.97 54.72 1bbp s GLU 47 Cb -0.10 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 1bbp s GLU 47 CO 0.02 -0.44 0.01 0.71 -0.54 0.00 0.00 175.26 175.02 1bbp s TYR 48 N 1.52 3.04 -0.25 5.30 2.02 0.47 -1.66 117.35 127.78 1bbp s TYR 48 Ca -0.01 -0.52 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1bbp s TYR 48 Cb -0.16 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.34 1bbp s TYR 48 CO -0.08 -0.31 -0.09 0.99 -1.57 0.00 0.00 175.55 174.49 1bbp s THR 49 N 1.20 2.00 0.45 -0.71 2.01 -0.98 -0.06 115.64 119.55 1bbp s THR 49 Ca 0.03 -1.53 -0.22 0.00 0.31 0.00 0.00 61.69 60.28 1bbp s THR 49 Cb -0.15 -2.15 -0.09 0.00 0.01 0.00 0.00 72.50 70.12 1bbp s THR 49 CO 0.01 -0.06 1.02 -2.84 -0.69 0.00 0.00 174.62 172.07 1bbp s PRO 50 N 1.18 4.01 -0.42 4.92 0.02 -1.26 -0.79 135.00 142.65 1bbp s PRO 50 Ca -0.08 1.35 0.06 0.00 0.02 0.00 0.00 61.00 62.35 1bbp s PRO 50 Cb -0.20 -2.25 0.21 0.00 0.02 0.00 0.00 34.50 32.29 1bbp s PRO 50 CO -0.05 -0.25 0.52 0.39 -0.33 0.00 0.00 177.00 177.28 1bbp n GLU 51 N -0.62 0.51 0.00 5.54 -0.58 0.35 -4.89 120.64 120.95 1bbp n GLU 51 Ca 0.07 -2.89 0.00 0.00 -0.42 0.00 0.00 57.16 53.92 1bbp n GLU 51 Cb 0.52 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1bbp n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bbp n GLY 52 N 2.11 0.33 1.67 0.62 0.00 -1.26 -2.84 105.19 105.82 1bbp n GLY 52 Ca 0.22 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 1bbp n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bbp n LYS 53 N 12.01 1.33 -4.08 1.61 5.02 -1.26 -4.75 118.16 128.05 1bbp n LYS 53 Ca 0.00 -0.62 -0.10 0.00 -2.02 0.00 0.00 58.31 55.57 1bbp n LYS 53 Cb 0.00 -1.26 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1bbp n LYS 53 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bbp s SER 54 N 1.32 0.08 0.00 4.39 1.04 -1.13 -4.28 113.70 115.12 1bbp s SER 54 Ca 0.14 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1bbp s SER 54 Cb 0.10 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 1bbp s SER 54 CO -0.00 -0.92 -0.01 -0.69 0.98 0.00 0.00 173.24 172.60 1bbp s VAL 55 N -4.06 0.07 0.06 5.02 1.01 0.79 -0.50 120.40 122.79 1bbp s VAL 55 Ca 0.27 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1bbp s VAL 55 Cb 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 1bbp s VAL 55 CO 0.07 -0.04 0.93 -0.75 0.00 0.00 0.00 175.10 175.30 1bbp s LYS 56 N -0.19 4.62 -0.11 2.72 2.47 0.03 -0.20 119.74 129.07 1bbp s LYS 56 Ca -0.02 1.36 -0.01 0.00 -1.56 0.00 0.00 55.97 55.74 1bbp s LYS 56 Cb -0.01 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.92 1bbp s LYS 56 CO -0.00 0.14 -0.06 0.08 0.16 0.00 0.00 175.35 175.67 1bbp s VAL 57 N 0.33 3.76 -0.06 4.02 1.01 0.39 -2.31 120.40 127.55 1bbp s VAL 57 Ca 0.47 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1bbp s VAL 57 Cb -0.22 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.61 1bbp s VAL 57 CO 0.28 0.55 0.13 -0.94 0.00 0.00 0.00 175.10 175.12 1bbp s SER 58 N -0.26 0.24 -0.18 3.32 1.04 -0.67 -1.09 113.70 116.10 1bbp s SER 58 Ca 0.04 0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1bbp s SER 58 Cb -0.13 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1bbp s SER 58 CO 0.02 -0.18 -0.03 0.20 0.98 0.00 0.00 173.24 174.23 1bbp s ASN 59 N 1.56 4.62 0.23 7.02 0.02 -0.38 0.25 114.94 128.26 1bbp s ASN 59 Ca -0.05 -0.23 0.10 0.00 -1.02 0.00 0.00 52.86 51.66 1bbp s ASN 59 Cb -0.12 -1.77 -0.05 0.00 0.02 0.00 0.00 41.25 39.33 1bbp s ASN 59 CO -0.05 0.09 -0.17 -0.31 0.02 0.00 0.00 177.10 176.67 1bbp s TYR 60 N 0.85 1.98 0.18 2.20 2.02 0.79 -1.62 117.35 123.75 1bbp s TYR 60 Ca -0.01 -0.46 -0.22 0.00 -0.37 0.00 0.00 57.07 56.02 1bbp s TYR 60 Cb -0.14 -0.90 0.06 0.00 -0.40 0.00 0.00 41.96 40.58 1bbp s TYR 60 CO 0.02 0.51 0.61 -3.38 -1.57 0.00 0.00 175.55 171.74 1bbp s HIS 61 N -2.66 -0.45 -0.14 2.71 -3.43 -0.73 -0.47 115.29 110.12 1bbp s HIS 61 Ca 0.25 0.19 -0.02 0.00 -0.80 0.00 0.00 55.06 54.68 1bbp s HIS 61 Cb -0.03 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.67 1bbp s HIS 61 CO 0.10 -0.92 -0.08 0.08 -2.00 0.00 0.00 174.74 171.92 1bbp s VAL 62 N -3.79 3.50 -0.15 -5.38 1.01 0.41 -1.68 120.40 114.34 1bbp s VAL 62 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1bbp s VAL 62 Cb -0.02 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1bbp s VAL 62 CO -0.09 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.73 1bbp s ILE 63 N 0.28 1.69 -1.24 2.22 1.01 0.34 -0.97 121.20 124.53 1bbp s ILE 63 Ca -0.06 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1bbp s ILE 63 Cb -0.15 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1bbp s ILE 63 CO 0.04 0.48 0.28 1.41 0.00 0.00 0.00 174.94 177.15 1bbp n HIS 64 N 4.59 -1.16 -0.43 3.97 8.25 -1.26 -1.43 115.22 127.75 1bbp n HIS 64 Ca -0.18 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1bbp n HIS 64 Cb 0.50 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.15 1bbp n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bbp n GLY 65 N -2.21 0.72 3.25 -1.41 0.00 -1.23 -4.95 105.19 99.35 1bbp n GLY 65 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1bbp n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bbp s LYS 66 N -0.57 1.64 -0.15 1.61 2.20 -0.51 -0.89 119.74 123.07 1bbp s LYS 66 Ca 0.00 -0.84 -0.08 0.00 -0.36 0.00 0.00 55.97 54.69 1bbp s LYS 66 Cb 0.00 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 1bbp s LYS 66 CO 0.00 0.44 0.12 -2.00 -0.36 0.00 0.00 175.35 173.55 1bbp s GLU 67 N -0.76 3.72 0.03 4.03 2.12 -1.26 -0.50 118.70 126.07 1bbp s GLU 67 Ca 0.08 -0.21 0.07 0.00 0.36 0.00 0.00 54.97 55.27 1bbp s GLU 67 Cb -0.09 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 1bbp s GLU 67 CO 0.00 0.56 -0.19 0.71 -0.54 0.00 0.00 175.26 175.80 1bbp s TYR 68 N -0.40 1.70 0.23 5.30 1.51 -0.67 -4.99 117.35 120.03 1bbp s TYR 68 Ca 0.11 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.66 1bbp s TYR 68 Cb -0.12 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 1bbp s TYR 68 CO 0.01 0.06 0.52 -0.59 -1.11 0.00 0.00 175.55 174.44 1bbp s PHE 69 N -0.72 0.15 0.07 2.71 -0.71 -1.26 -1.77 117.98 116.45 1bbp s PHE 69 Ca 0.07 -0.52 0.06 0.00 -1.04 0.00 0.00 56.93 55.49 1bbp s PHE 69 Cb -0.08 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 1bbp s PHE 69 CO 0.01 -1.00 -0.16 -1.50 -1.34 0.00 0.00 175.22 171.23 1bbp s ILE 70 N -3.96 1.27 0.15 -4.49 1.10 -0.64 -4.98 121.20 109.65 1bbp s ILE 70 Ca 0.17 -1.32 0.10 0.00 -0.51 0.00 0.00 60.65 59.09 1bbp s ILE 70 Cb -0.01 -1.19 -0.04 0.00 0.15 0.00 0.00 42.46 41.37 1bbp s ILE 70 CO 0.05 -0.15 -0.21 -1.61 -2.11 0.00 0.00 174.94 170.91 1bbp s GLU 71 N -1.69 1.62 0.00 3.50 2.02 -1.26 -1.25 118.70 121.64 1bbp s GLU 71 Ca 0.01 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1bbp s GLU 71 Cb -0.10 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1bbp s GLU 71 CO 0.03 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1bbp n GLY 72 N 0.58 1.85 3.12 -1.39 0.00 -0.25 -4.73 105.19 104.37 1bbp n GLY 72 Ca -0.15 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 1bbp n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bbp s THR 73 N -2.15 0.18 -0.04 2.61 -4.23 -1.03 -0.46 115.64 110.52 1bbp s THR 73 Ca 0.00 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 58.98 1bbp s THR 73 Cb 0.00 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.53 1bbp s THR 73 CO 0.00 -0.83 0.10 0.00 -0.54 0.00 0.00 174.62 173.35 1bbp s ALA 74 N -3.62 -0.20 0.05 3.99 0.00 0.72 -0.18 121.76 122.51 1bbp s ALA 74 Ca 0.04 0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 1bbp s ALA 74 Cb 0.05 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1bbp s ALA 74 CO -0.09 -0.10 0.40 1.52 0.00 0.00 0.00 175.76 177.49 1bbp s TYR 75 N 0.62 -0.25 0.56 0.00 -0.85 -0.76 -0.15 117.35 116.52 1bbp s TYR 75 Ca -0.05 0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 56.49 1bbp s TYR 75 Cb -0.06 0.21 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 1bbp s TYR 75 CO -0.03 -0.57 1.23 -1.25 -1.52 0.00 0.00 175.55 173.42 1bbp s PRO 76 N -2.53 3.15 0.13 -3.49 0.04 -1.26 -0.79 135.00 130.25 1bbp s PRO 76 Ca -0.05 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1bbp s PRO 76 Cb -0.01 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1bbp s PRO 76 CO -0.03 -1.08 1.46 0.28 0.04 0.00 0.00 177.00 177.67 1bbp h VAL 77 N 1.19 1.28 0.00 -0.36 2.07 -1.41 -3.42 116.25 115.60 1bbp h VAL 77 Ca -0.50 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1bbp h VAL 77 Cb 1.29 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1bbp h VAL 77 CO 0.56 0.52 0.00 0.61 0.02 0.00 0.00 177.57 179.28 1bbp n GLY 78 N 0.16 2.62 3.73 2.17 0.00 -1.26 -5.05 105.19 107.55 1bbp n GLY 78 Ca -0.03 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1bbp n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bbp s ASP 79 N 1.00 7.37 0.59 1.61 1.01 -1.26 -4.93 116.67 122.06 1bbp s ASP 79 Ca 0.00 1.87 0.29 0.00 0.71 0.00 0.00 52.55 55.42 1bbp s ASP 79 Cb 0.00 -2.59 1.60 0.00 1.01 0.00 0.00 42.92 42.94 1bbp s ASP 79 CO 0.00 -0.18 2.04 0.28 0.21 0.00 0.00 175.17 177.51 1bbp h SER 80 N 5.80 0.00 1.83 0.27 0.02 -1.95 -1.69 113.55 117.83 1bbp h SER 80 Ca -0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1bbp h SER 80 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1bbp h SER 80 CO 0.74 0.00 -0.18 0.11 -1.14 0.00 0.00 176.83 176.36 1bbp h LYS 84 N 0.00 0.00 -5.84 3.45 1.57 -1.87 -3.40 116.57 110.47 1bbp h LYS 84 Ca 0.12 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.31 1bbp h LYS 84 Cb 0.70 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 1bbp h LYS 84 CO -0.00 0.01 0.48 0.42 -0.57 0.00 0.00 179.45 179.79 1bbp s ILE 85 N -3.23 4.78 0.00 1.86 1.01 -0.64 0.31 121.20 125.30 1bbp s ILE 85 Ca 0.06 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.12 1bbp s ILE 85 Cb 0.06 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1bbp s ILE 85 CO 0.69 -0.20 0.74 0.61 0.00 0.00 0.00 174.94 176.78 1bbp n GLY 86 N 3.96 1.15 2.96 6.18 0.00 0.10 -4.66 105.19 114.88 1bbp n GLY 86 Ca 0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1bbp n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbp s LYS 87 N 1.84 1.72 -0.11 1.61 -2.85 -1.26 0.47 119.74 121.17 1bbp s LYS 87 Ca 0.05 -0.99 0.03 0.00 -1.00 0.00 0.00 55.97 54.07 1bbp s LYS 87 Cb 0.03 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.22 1bbp s LYS 87 CO 0.00 -0.57 -0.22 0.42 0.10 0.00 0.00 175.35 175.08 1bbp s ILE 88 N 1.38 1.98 0.13 3.79 1.01 -0.05 -1.03 121.20 128.40 1bbp s ILE 88 Ca -0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 1bbp s ILE 88 Cb -0.19 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 1bbp s ILE 88 CO -0.06 0.54 1.08 -0.31 0.00 0.00 0.00 174.94 176.18 1bbp s TYR 89 N 0.50 3.62 -0.29 3.97 4.12 0.03 -0.52 117.35 128.78 1bbp s TYR 89 Ca -0.15 1.60 0.02 0.00 0.02 0.00 0.00 57.07 58.56 1bbp s TYR 89 Cb -0.17 -3.24 0.07 0.00 -1.52 0.00 0.00 41.96 37.10 1bbp s TYR 89 CO 0.06 -0.49 -0.05 -1.01 0.02 0.00 0.00 175.55 174.07 1bbp s HIS 90 N 0.16 3.35 -0.60 2.71 3.76 0.15 -1.83 115.29 122.99 1bbp s HIS 90 Ca 0.51 -2.34 -0.20 0.00 -0.15 0.00 0.00 55.06 52.87 1bbp s HIS 90 Cb -0.27 -2.16 0.08 0.00 1.11 0.00 0.00 32.58 31.34 1bbp s HIS 90 CO 0.32 -0.88 0.79 0.21 -0.85 0.00 0.00 174.74 174.34 1bbp s LYS 91 N 1.10 3.09 0.23 1.40 2.20 0.75 -1.42 119.74 127.09 1bbp s LYS 91 Ca -0.05 -1.07 0.08 0.00 -0.36 0.00 0.00 55.97 54.58 1bbp s LYS 91 Cb -0.20 -4.23 -0.05 0.00 -1.51 0.00 0.00 37.83 31.84 1bbp s LYS 91 CO -0.05 -1.60 -0.13 -0.51 -0.36 0.00 0.00 175.35 172.70 1bbp s LEU 92 N 3.20 2.55 -0.20 5.43 1.43 -1.00 -2.48 118.68 127.61 1bbp s LEU 92 Ca 0.16 -1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1bbp s LEU 92 Cb -0.21 -0.72 -0.00 0.00 0.03 0.00 0.00 46.19 45.29 1bbp s LEU 92 CO 0.09 -0.18 -0.09 -0.89 0.23 0.00 0.00 176.35 175.50 1bbp s THR 93 N -2.92 3.01 -0.12 5.49 2.01 -1.26 -1.87 115.64 119.98 1bbp s THR 93 Ca 0.25 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1bbp s THR 93 Cb -0.00 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1bbp s THR 93 CO 0.09 0.46 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.96 1bbp s TYR 94 N 1.33 2.49 -1.30 4.92 1.51 0.58 -4.67 117.35 122.21 1bbp s TYR 94 Ca 0.04 -1.16 0.00 0.00 -1.01 0.00 0.00 57.07 54.94 1bbp s TYR 94 Cb -0.14 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1bbp s TYR 94 CO -0.05 -0.52 0.00 0.41 -1.11 0.00 0.00 175.55 174.28 1bbp n GLY 95 N 3.90 0.46 2.25 0.71 0.00 -1.26 -1.35 105.19 109.90 1bbp n GLY 95 Ca -0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1bbp n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bbp n GLY 96 N -1.12 0.62 3.36 -0.02 0.00 -1.26 -4.99 105.19 101.77 1bbp n GLY 96 Ca -0.15 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1bbp n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bbp s VAL 97 N -1.97 3.18 -0.26 1.61 1.01 -0.46 -5.08 120.40 118.44 1bbp s VAL 97 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1bbp s VAL 97 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1bbp s VAL 97 CO 0.00 0.50 0.14 -0.89 0.00 0.00 0.00 175.10 174.85 1bbp s THR 98 N 0.67 4.93 0.12 3.92 2.01 -1.26 -0.30 115.64 125.73 1bbp s THR 98 Ca -0.05 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1bbp s THR 98 Cb -0.15 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1bbp s THR 98 CO 0.02 0.30 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.60 1bbp s LYS 99 N 1.59 0.99 -0.48 4.92 1.02 -0.78 -4.98 119.74 122.01 1bbp s LYS 99 Ca 0.07 -1.30 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 1bbp s LYS 99 Cb -0.15 -0.69 0.05 0.00 -0.52 0.00 0.00 37.83 36.52 1bbp s LYS 99 CO 0.07 0.11 0.56 -1.21 -0.92 0.00 0.00 175.35 173.96 1bbp s GLU 100 N -3.12 3.10 -0.23 1.68 2.02 -1.26 -2.36 118.70 118.53 1bbp s GLU 100 Ca 0.11 -0.94 -0.13 0.00 0.02 0.00 0.00 54.97 54.03 1bbp s GLU 100 Cb -0.01 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 1bbp s GLU 100 CO 0.01 -1.12 0.29 -0.80 0.02 0.00 0.00 175.26 173.66 1bbp s ASN 101 N 2.52 6.26 -0.41 -0.19 -0.87 -0.51 -4.86 114.94 116.88 1bbp s ASN 101 Ca 0.13 0.30 -0.28 0.00 -1.57 0.00 0.00 52.86 51.43 1bbp s ASN 101 Cb -0.20 -2.17 0.02 0.00 -0.02 0.00 0.00 41.25 38.88 1bbp s ASN 101 CO 0.11 -0.04 1.06 -0.69 -2.57 0.00 0.00 177.10 174.98 1bbp s VAL 102 N 1.36 4.38 -0.17 1.60 1.01 -1.26 0.34 120.40 127.65 1bbp s VAL 102 Ca 0.13 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 1bbp s VAL 102 Cb -0.14 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1bbp s VAL 102 CO 0.07 -0.77 0.36 0.12 0.00 0.00 0.00 175.10 174.89 1bbp s PHE 103 N 4.00 3.43 -0.18 5.22 5.36 0.32 -4.47 117.98 131.65 1bbp s PHE 103 Ca 0.44 0.64 -0.04 0.00 -0.96 0.00 0.00 56.93 57.01 1bbp s PHE 103 Cb -0.10 -2.45 -0.02 0.00 -0.34 0.00 0.00 43.02 40.11 1bbp s PHE 103 CO 0.24 0.11 -0.02 -0.80 -1.46 0.00 0.00 175.22 173.30 1bbp s ASN 104 N 0.76 4.78 -0.73 6.13 0.01 -0.14 -0.87 114.94 124.88 1bbp s ASN 104 Ca 0.19 -0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 51.91 1bbp s ASN 104 Cb -0.14 -1.80 0.05 0.00 0.41 0.00 0.00 41.25 39.77 1bbp s ASN 104 CO 0.07 0.10 1.16 -0.69 -1.51 0.00 0.00 177.10 176.23 1bbp s VAL 105 N 0.77 4.00 0.10 1.60 1.01 0.18 -0.62 120.40 127.45 1bbp s VAL 105 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1bbp s VAL 105 Cb -0.14 -4.83 -0.23 0.00 0.00 0.00 0.00 36.38 31.17 1bbp s VAL 105 CO 0.02 -1.70 1.23 -0.07 0.00 0.00 0.00 175.10 174.58 1bbp h LEU 106 N 12.28 0.50 -7.25 3.92 3.38 -1.09 -0.73 115.31 126.31 1bbp h LEU 106 Ca -0.24 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.18 1bbp h LEU 106 Cb 1.05 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 41.42 1bbp h LEU 106 CO 1.25 1.29 -0.14 -0.55 0.09 0.00 0.00 178.44 180.38 1bbp s SER 107 N -7.13 -0.49 0.04 -0.43 0.15 -1.08 -4.44 113.70 100.32 1bbp s SER 107 Ca -0.05 0.91 -0.27 0.00 0.70 0.00 0.00 55.95 57.24 1bbp s SER 107 Cb 0.08 0.93 0.09 0.00 -1.71 0.00 0.00 66.02 65.40 1bbp s SER 107 CO 0.88 -0.21 0.76 0.28 1.20 0.00 0.00 173.24 176.15 1bbp s THR 108 N 0.08 0.00 -0.87 6.45 -1.32 -1.26 -0.47 115.64 118.26 1bbp s THR 108 Ca -0.01 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.55 1bbp s THR 108 Cb -0.03 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.14 1bbp s THR 108 CO 0.01 0.00 1.06 -0.90 -2.21 0.00 0.00 174.62 172.58 1bbp n ASP 109 N -0.08 2.40 -2.43 8.08 5.75 -1.16 -4.97 116.55 124.14 1bbp n ASP 109 Ca -0.13 -1.79 -0.15 0.00 -0.01 0.00 0.00 54.79 52.71 1bbp n ASP 109 Cb 0.62 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1bbp n ASP 109 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1bbp n ASN 110 N 0.37 -4.46 0.11 -1.12 3.02 -1.26 -4.67 115.26 107.25 1bbp n ASN 110 Ca 0.08 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1bbp n ASN 110 Cb 0.33 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 1bbp n ASN 110 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1bbp n LYS 111 N -2.86 0.00 -0.08 3.52 4.81 -1.26 -4.85 118.16 117.43 1bbp n LYS 111 Ca -0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.13 1bbp n LYS 111 Cb 0.63 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.61 1bbp n LYS 111 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bbp n ASN 112 N -3.12 2.34 -4.26 3.14 5.03 -1.26 -4.83 115.26 112.30 1bbp n ASN 112 Ca 0.00 -0.01 -0.14 0.00 0.87 0.00 0.00 54.58 55.30 1bbp n ASN 112 Cb 0.00 -0.32 -0.10 0.00 -1.02 0.00 0.00 39.78 38.34 1bbp n ASN 112 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1bbp s TYR 113 N -2.32 1.29 -0.05 3.10 1.13 -1.26 -0.79 117.35 118.45 1bbp s TYR 113 Ca -0.23 -0.76 0.01 0.00 -1.41 0.00 0.00 57.07 54.69 1bbp s TYR 113 Cb 0.07 -0.66 0.02 0.00 -1.10 0.00 0.00 41.96 40.29 1bbp s TYR 113 CO 0.36 0.09 -0.06 0.42 -2.51 0.00 0.00 175.55 173.84 1bbp s ILE 114 N -3.32 0.66 -0.26 -3.49 1.01 0.07 -3.00 121.20 112.87 1bbp s ILE 114 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1bbp s ILE 114 Cb 0.03 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.87 1bbp s ILE 114 CO 0.01 0.25 -0.06 -0.63 0.00 0.00 0.00 174.94 174.51 1bbp s ILE 115 N 0.83 2.75 0.18 2.92 1.01 0.38 -0.69 121.20 128.58 1bbp s ILE 115 Ca -0.12 -1.20 0.08 0.00 0.00 0.00 0.00 60.65 59.40 1bbp s ILE 115 Cb -0.15 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1bbp s ILE 115 CO 0.01 0.11 -0.16 -0.83 0.00 0.00 0.00 174.94 174.06 1bbp s GLY 116 N 1.27 1.39 -0.02 6.18 0.00 -0.46 -0.50 107.32 115.18 1bbp s GLY 116 Ca -0.02 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.17 1bbp s GLY 116 CO -0.04 -1.62 -0.08 -0.47 0.00 0.00 0.00 173.10 170.89 1bbp s TYR 117 N -2.44 0.80 -0.03 1.90 5.04 0.21 -1.69 117.35 121.15 1bbp s TYR 117 Ca 0.18 -0.18 0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1bbp s TYR 117 Cb -0.04 -0.57 -0.00 0.00 0.35 0.00 0.00 41.96 41.70 1bbp s TYR 117 CO 0.07 -0.08 -0.13 -0.47 -1.34 0.00 0.00 175.55 173.60 1bbp s TYR 118 N 0.15 1.30 -0.18 4.97 5.04 0.21 -0.96 117.35 127.88 1bbp s TYR 118 Ca -0.02 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1bbp s TYR 118 Cb -0.07 -0.88 0.01 0.00 0.35 0.00 0.00 41.96 41.36 1bbp s TYR 118 CO 0.00 -0.11 -0.15 0.00 -1.34 0.00 0.00 175.55 173.95 1bbp s LYS 120 N 1.17 3.60 -0.12 0.00 2.20 -0.24 -4.96 119.74 121.40 1bbp s LYS 120 Ca 0.02 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.18 1bbp s LYS 120 Cb -0.14 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1bbp s LYS 120 CO -0.06 -0.53 0.21 -0.47 -0.36 0.00 0.00 175.35 174.14 1bbp s TYR 121 N 2.08 3.57 -0.36 4.03 5.04 -1.26 -0.54 117.35 129.91 1bbp s TYR 121 Ca 0.13 0.59 -0.11 0.00 -2.44 0.00 0.00 57.07 55.24 1bbp s TYR 121 Cb -0.16 -2.09 0.02 0.00 0.35 0.00 0.00 41.96 40.08 1bbp s TYR 121 CO 0.12 0.58 0.20 0.34 -1.34 0.00 0.00 175.55 175.45 1bbp s ASP 122 N -0.61 5.71 0.16 4.32 3.68 0.69 -4.98 116.67 125.64 1bbp s ASP 122 Ca 0.16 -0.89 -0.10 0.00 2.13 0.00 0.00 52.55 53.85 1bbp s ASP 122 Cb -0.13 -2.02 0.01 0.00 -1.45 0.00 0.00 42.92 39.33 1bbp s ASP 122 CO 0.05 -0.35 1.54 -0.33 0.13 0.00 0.00 175.17 176.20 1bbp h GLU 123 N 8.43 0.96 -0.41 4.34 5.08 -1.97 -0.44 114.58 130.56 1bbp h GLU 123 Ca -0.27 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.55 1bbp h GLU 123 Cb 1.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1bbp h GLU 123 CO 0.66 1.10 -0.17 -0.44 -1.00 0.00 0.00 179.01 179.17 1bbp h ASP 124 N 0.81 0.77 -0.01 1.42 3.45 -1.96 -3.18 116.42 117.72 1bbp h ASP 124 Ca 0.09 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.30 1bbp h ASP 124 Cb 0.85 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1bbp h ASP 124 CO 0.08 0.94 -0.48 0.29 -1.57 0.00 0.00 179.24 178.49 1bbp n LYS 125 N -4.14 1.51 -3.75 3.56 4.76 -1.22 -5.00 118.16 113.88 1bbp n LYS 125 Ca 0.01 -0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 54.55 1bbp n LYS 125 Cb 0.40 -1.33 0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1bbp n LYS 125 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1bbp n LYS 126 N -0.40 -5.06 -3.53 1.97 5.02 -0.20 -4.92 118.16 111.05 1bbp n LYS 126 Ca 0.06 0.61 -0.15 0.00 -2.02 0.00 0.00 58.31 56.82 1bbp n LYS 126 Cb 0.35 -5.24 -0.05 0.00 -0.02 0.00 0.00 35.03 30.07 1bbp n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bbp n GLY 127 N -1.62 3.40 3.26 0.72 0.00 -1.06 -1.46 105.19 108.43 1bbp n GLY 127 Ca -0.22 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1bbp n GLY 127 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bbp s HIS 128 N -2.75 -0.09 -0.13 1.61 -3.43 0.04 -0.23 115.29 110.32 1bbp s HIS 128 Ca 0.21 -0.16 -0.03 0.00 -0.80 0.00 0.00 55.06 54.28 1bbp s HIS 128 Cb 0.01 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 31.25 1bbp s HIS 128 CO 0.15 -0.57 -0.03 -1.14 -2.00 0.00 0.00 174.74 171.14 1bbp s GLN 129 N -3.21 3.41 -0.12 -0.38 0.74 0.30 -0.13 119.66 120.27 1bbp s GLN 129 Ca -0.00 -0.50 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 1bbp s GLN 129 Cb 0.01 -2.84 -0.05 0.00 1.10 0.00 0.00 33.01 31.23 1bbp s GLN 129 CO -0.08 0.39 0.32 -0.51 -0.55 0.00 0.00 175.29 174.87 1bbp s ASP 130 N -0.05 6.53 -0.15 6.67 1.01 -0.36 -1.08 116.67 129.24 1bbp s ASP 130 Ca 0.02 0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.91 1bbp s ASP 130 Cb -0.13 -2.20 0.02 0.00 1.01 0.00 0.00 42.92 41.62 1bbp s ASP 130 CO 0.02 0.15 -0.18 -0.36 0.21 0.00 0.00 175.17 175.02 1bbp s PHE 131 N 0.08 2.45 0.01 4.23 0.40 0.24 -4.39 117.98 120.99 1bbp s PHE 131 Ca 0.19 -1.35 0.05 0.00 -0.60 0.00 0.00 56.93 55.22 1bbp s PHE 131 Cb -0.14 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 1bbp s PHE 131 CO 0.06 -0.68 -0.16 0.08 0.70 0.00 0.00 175.22 175.22 1bbp s VAL 132 N 1.22 1.29 -0.01 -0.44 1.01 -1.26 -0.62 120.40 121.59 1bbp s VAL 132 Ca 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1bbp s VAL 132 Cb -0.14 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1bbp s VAL 132 CO -0.09 0.23 -0.06 0.26 0.00 0.00 0.00 175.10 175.44 1bbp s TRP 133 N -0.59 0.62 -0.36 5.22 0.51 -0.68 -1.39 118.94 122.26 1bbp s TRP 133 Ca 0.05 -0.12 -0.06 0.00 -2.12 0.00 0.00 56.10 53.84 1bbp s TRP 133 Cb -0.07 -0.42 0.06 0.00 -0.81 0.00 0.00 33.47 32.23 1bbp s TRP 133 CO 0.00 -0.03 0.15 0.08 -0.51 0.00 0.00 176.95 176.64 1bbp s VAL 134 N -0.02 3.79 -0.12 4.03 1.01 0.59 -1.35 120.40 128.33 1bbp s VAL 134 Ca 0.01 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 1bbp s VAL 134 Cb -0.04 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1bbp s VAL 134 CO -0.00 -0.31 -0.01 -0.76 0.00 0.00 0.00 175.10 174.02 1bbp s LEU 135 N 1.37 3.49 0.04 3.92 1.43 0.13 -0.44 118.68 128.62 1bbp s LEU 135 Ca 0.00 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1bbp s LEU 135 Cb -0.21 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1bbp s LEU 135 CO 0.02 0.29 -0.03 -0.55 0.23 0.00 0.00 176.35 176.30 1bbp s SER 136 N -0.37 0.41 0.00 2.29 0.15 -0.40 -0.75 113.70 115.02 1bbp s SER 136 Ca 0.07 -0.71 0.28 0.00 0.70 0.00 0.00 55.95 56.29 1bbp s SER 136 Cb -0.12 0.13 1.32 0.00 -1.71 0.00 0.00 66.02 65.64 1bbp s SER 136 CO 0.02 -0.41 1.94 0.54 1.20 0.00 0.00 173.24 176.52 1bbp n ARG 137 N 0.96 0.24 -5.01 5.44 1.74 0.03 0.09 116.66 120.15 1bbp n ARG 137 Ca -0.20 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.60 1bbp n ARG 137 Cb 0.57 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.36 1bbp n ARG 137 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1bbp s SER 138 N -2.74 3.15 0.53 0.55 0.15 -1.26 -4.76 113.70 109.31 1bbp s SER 138 Ca 0.21 -0.56 0.22 0.00 0.70 0.00 0.00 55.95 56.52 1bbp s SER 138 Cb 0.19 -0.31 1.45 0.00 -1.71 0.00 0.00 66.02 65.63 1bbp s SER 138 CO 0.46 0.28 2.16 0.11 1.20 0.00 0.00 173.24 177.44 1bbp h LYS 139 N 4.97 0.00 -4.90 5.44 1.57 -1.94 -3.40 116.57 118.31 1bbp h LYS 139 Ca -0.46 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 1bbp h LYS 139 Cb 1.14 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.11 1bbp h LYS 139 CO 0.45 0.04 -0.84 0.08 -0.57 0.00 0.00 179.45 178.60 1bbp s VAL 140 N -4.77 1.57 0.12 0.50 1.01 -1.26 -4.86 120.40 112.71 1bbp s VAL 140 Ca -0.05 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 1bbp s VAL 140 Cb 0.16 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 1bbp s VAL 140 CO 0.62 0.45 1.41 -0.76 0.00 0.00 0.00 175.10 176.82 1bbp s LEU 141 N 0.59 4.37 0.09 3.92 1.43 -1.26 -5.01 118.68 122.80 1bbp s LEU 141 Ca -0.15 2.35 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 1bbp s LEU 141 Cb -0.17 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1bbp s LEU 141 CO 0.05 -0.67 -0.07 0.42 0.23 0.00 0.00 176.35 176.31 1bbp s THR 142 N 1.13 0.69 0.00 5.49 -4.23 -1.26 -4.77 115.64 112.70 1bbp s THR 142 Ca 0.65 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1bbp s THR 142 Cb -0.37 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1bbp s THR 142 CO 0.30 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1bbp n GLY 143 N 0.32 3.01 0.33 3.99 0.00 -1.26 -2.37 105.19 109.22 1bbp n GLY 143 Ca -0.15 0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1bbp n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bbp h GLU 144 N 0.00 0.72 -0.14 1.61 5.08 -1.99 0.65 114.58 120.50 1bbp h GLU 144 Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1bbp h GLU 144 Cb 0.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1bbp h GLU 144 CO 0.00 0.47 -0.08 0.00 -1.00 0.00 0.00 179.01 178.40 1bbp h ALA 145 N 1.64 0.21 -0.31 3.43 0.00 -1.89 -0.75 119.26 121.59 1bbp h ALA 145 Ca 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1bbp h ALA 145 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1bbp h ALA 145 CO -0.06 0.02 0.06 -0.22 0.00 0.00 0.00 179.25 179.05 1bbp h LYS 146 N -0.03 0.45 -0.21 0.00 3.64 -1.26 -0.62 116.57 118.53 1bbp h LYS 146 Ca 0.03 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1bbp h LYS 146 Cb 0.56 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1bbp h LYS 146 CO 0.02 0.43 -0.51 1.15 -2.27 0.00 0.00 179.45 178.27 1bbp h THR 147 N 0.44 1.31 -0.25 1.00 2.02 -0.77 -1.39 112.91 115.27 1bbp h THR 147 Ca 0.10 -1.74 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 1bbp h THR 147 Cb 0.20 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1bbp h THR 147 CO -0.00 0.54 -0.09 0.00 0.37 0.00 0.00 175.52 176.35 1bbp h ALA 148 N 0.97 0.34 -0.20 6.16 0.00 -0.05 -2.13 119.26 124.34 1bbp h ALA 148 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bbp h ALA 148 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bbp h ALA 148 CO 0.10 0.17 0.11 0.28 0.00 0.00 0.00 179.25 179.91 1bbp h VAL 149 N 0.23 1.11 -0.16 0.00 2.07 -0.99 -1.93 116.25 116.58 1bbp h VAL 149 Ca 0.06 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1bbp h VAL 149 Cb 0.57 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1bbp h VAL 149 CO 0.03 0.11 -0.01 -0.33 0.02 0.00 0.00 177.57 177.38 1bbp h GLU 150 N 0.22 0.03 0.00 1.57 5.08 -1.23 0.13 114.58 120.39 1bbp h GLU 150 Ca 0.07 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1bbp h GLU 150 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1bbp h GLU 150 CO -0.01 0.02 -0.19 -0.91 -1.00 0.00 0.00 179.01 176.92 1bbp h ASN 151 N 0.03 0.00 -0.07 1.42 -0.26 -1.27 0.66 115.58 116.11 1bbp h ASN 151 Ca 0.07 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1bbp h ASN 151 Cb 0.10 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1bbp h ASN 151 CO -0.14 0.19 -0.09 0.22 -1.06 0.00 0.00 177.43 176.56 1bbp h TYR 152 N 0.00 0.21 -0.41 1.19 5.03 -0.73 -2.98 116.97 119.27 1bbp h TYR 152 Ca -0.00 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 1bbp h TYR 152 Cb 0.45 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 1bbp h TYR 152 CO 0.00 0.65 0.08 -0.07 -1.32 0.00 0.00 178.16 177.50 1bbp h LEU 153 N -0.29 0.57 -0.92 2.82 4.07 0.18 0.21 115.31 121.96 1bbp h LEU 153 Ca 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1bbp h LEU 153 Cb 0.62 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1bbp h LEU 153 CO 0.02 0.58 -0.13 0.16 -1.08 0.00 0.00 178.44 178.00 1bbp h ILE 154 N 0.60 0.28 0.00 1.22 3.07 -0.90 -3.02 117.51 118.76 1bbp h ILE 154 Ca 0.14 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.56 1bbp h ILE 154 Cb 0.25 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1bbp h ILE 154 CO -0.00 0.13 -1.36 0.61 -1.05 0.00 0.00 178.15 176.47 1bbp n GLY 155 N 0.39 -0.81 3.67 0.16 0.00 -0.65 -5.00 105.19 102.95 1bbp n GLY 155 Ca 0.01 -0.49 -0.47 0.00 0.00 0.00 0.00 46.02 45.07 1bbp n GLY 155 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bbp n SER 156 N -1.79 3.25 -0.00 1.61 2.88 0.66 -4.88 113.62 115.35 1bbp n SER 156 Ca 0.00 1.02 0.14 0.00 -1.33 0.00 0.00 58.87 58.71 1bbp n SER 156 Cb 0.39 -1.39 0.63 0.00 -0.75 0.00 0.00 64.21 63.09 1bbp n SER 156 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1bbp n PRO 157 N 5.15 0.07 -0.04 -1.46 -0.02 -1.26 -4.22 135.00 133.23 1bbp n PRO 157 Ca 0.20 -0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 1bbp n PRO 157 Cb 0.29 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1bbp n PRO 157 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1bbp n VAL 158 N -1.46 0.41 -3.43 -1.45 0.31 -1.26 -5.03 118.33 106.43 1bbp n VAL 158 Ca 0.08 -0.15 -0.37 0.00 -0.01 0.00 0.00 64.34 63.89 1bbp n VAL 158 Cb 0.32 -0.93 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 1bbp n VAL 158 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1bbp s VAL 159 N -2.14 5.24 -0.44 2.52 1.01 -1.26 -5.04 120.40 120.29 1bbp s VAL 159 Ca -0.10 0.72 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 1bbp s VAL 159 Cb 0.03 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1bbp s VAL 159 CO 0.16 0.33 0.47 -0.62 0.00 0.00 0.00 175.10 175.44 1bbp s ASP 161 N 0.67 6.20 0.53 3.32 3.68 -1.26 -4.76 116.67 125.04 1bbp s ASP 161 Ca 0.20 -0.75 0.20 0.00 2.13 0.00 0.00 52.55 54.33 1bbp s ASP 161 Cb -0.14 -2.23 1.33 0.00 -1.45 0.00 0.00 42.92 40.43 1bbp s ASP 161 CO 0.07 -0.64 2.08 0.77 0.13 0.00 0.00 175.17 177.58 1bbp h SER 162 N 8.77 0.00 0.02 -0.34 4.64 -1.97 -1.40 113.55 123.27 1bbp h SER 162 Ca -0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 1bbp h SER 162 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1bbp h SER 162 CO 0.83 0.00 -0.47 1.56 -0.87 0.00 0.00 176.83 177.88 1bbp h GLN 163 N 0.00 0.53 0.00 4.77 4.20 -1.99 -3.01 115.11 119.60 1bbp h GLN 163 Ca 0.11 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1bbp h GLN 163 Cb 0.45 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1bbp h GLN 163 CO -0.00 0.89 0.00 1.63 -0.67 0.00 0.00 178.83 180.67 1bbp n LYS 164 N -3.99 0.02 -2.17 1.46 5.02 -0.53 -4.85 118.16 113.12 1bbp n LYS 164 Ca -0.02 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 1bbp n LYS 164 Cb 0.55 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1bbp n LYS 164 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bbp s LEU 165 N -3.16 4.37 -0.19 -0.35 1.02 -1.14 -4.51 118.68 114.73 1bbp s LEU 165 Ca 0.11 2.32 -0.04 0.00 0.02 0.00 0.00 54.13 56.54 1bbp s LEU 165 Cb 0.15 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.75 1bbp s LEU 165 CO 0.43 -0.65 -0.02 -0.69 0.02 0.00 0.00 176.35 175.44 1bbp s VAL 166 N 1.09 3.78 -0.15 -1.59 1.01 0.28 -4.88 120.40 119.94 1bbp s VAL 166 Ca 0.64 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1bbp s VAL 166 Cb -0.37 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1bbp s VAL 166 CO 0.30 0.45 0.44 -0.31 0.00 0.00 0.00 175.10 175.98 1bbp s TYR 167 N 0.91 3.46 0.50 5.22 2.02 -1.26 -1.32 117.35 126.87 1bbp s TYR 167 Ca 0.00 0.78 -0.22 0.00 -0.37 0.00 0.00 57.07 57.26 1bbp s TYR 167 Cb -0.14 -2.54 -0.06 0.00 -0.40 0.00 0.00 41.96 38.82 1bbp s TYR 167 CO 0.01 0.10 1.22 -1.12 -1.57 0.00 0.00 175.55 174.20 1bbp s SER 168 N 0.76 5.80 -0.24 2.29 0.01 0.12 -4.98 113.70 117.46 1bbp s SER 168 Ca 0.23 2.44 -0.21 0.00 1.31 0.00 0.00 55.95 59.71 1bbp s SER 168 Cb -0.15 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1bbp s SER 168 CO 0.09 -1.18 0.68 -0.62 0.41 0.00 0.00 173.24 172.61 1bbp s ASP 169 N -1.29 6.66 -0.28 2.44 3.68 -1.26 -4.93 116.67 121.69 1bbp s ASP 169 Ca 0.68 0.81 0.09 0.00 2.13 0.00 0.00 52.55 56.26 1bbp s ASP 169 Cb -0.32 -2.36 0.49 0.00 -1.45 0.00 0.00 42.92 39.28 1bbp s ASP 169 CO 0.38 -0.38 1.42 0.49 0.13 0.00 0.00 175.17 177.20 1bbp n PHE 170 N 5.64 0.90 -1.22 -5.34 3.72 -1.26 -1.82 117.46 118.07 1bbp n PHE 170 Ca 0.01 -1.61 -0.34 0.00 -0.05 0.00 0.00 57.45 55.45 1bbp n PHE 170 Cb 0.49 -0.45 0.11 0.00 -0.94 0.00 0.00 39.48 38.69 1bbp n PHE 170 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1bbp n SER 171 N -1.12 0.93 0.20 4.37 7.64 -1.26 -4.73 113.62 119.65 1bbp n SER 171 Ca 0.31 0.62 0.05 0.00 1.01 0.00 0.00 58.87 60.86 1bbp n SER 171 Cb 0.97 -1.48 0.41 0.00 -1.01 0.00 0.00 64.21 63.10 1bbp n SER 171 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1bbp h GLU 172 N -0.63 0.00 -0.29 1.43 4.11 -1.97 0.37 114.58 117.61 1bbp h GLU 172 Ca -0.47 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 1bbp h GLU 172 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1bbp h GLU 172 CO 0.47 0.34 -0.01 0.00 0.07 0.00 0.00 179.01 179.87 1bbp h ALA 173 N 1.66 0.39 -0.13 1.06 0.00 -1.97 -0.40 119.26 119.86 1bbp h ALA 173 Ca -0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1bbp h ALA 173 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bbp h ALA 173 CO 0.04 0.15 -0.52 0.00 0.00 0.00 0.00 179.25 178.92 1bbp h ALA 174 N 0.82 0.86 -0.00 0.00 0.00 -1.51 -3.20 119.26 116.23 1bbp h ALA 174 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1bbp h ALA 174 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bbp h ALA 174 CO 0.02 0.68 -0.34 0.00 0.00 0.00 0.00 179.25 179.61 1bbp s LYS 176 N -2.85 4.19 -0.26 0.00 -2.85 -0.18 -4.99 119.74 112.79 1bbp s LYS 176 Ca 0.16 2.32 -0.05 0.00 -1.00 0.00 0.00 55.97 57.41 1bbp s LYS 176 Cb 0.18 -3.70 0.01 0.00 -2.06 0.00 0.00 37.83 32.26 1bbp s LYS 176 CO 0.62 -0.77 0.01 0.08 0.10 0.00 0.00 175.35 175.39 1bbp s VAL 177 N 2.98 3.50 0.00 1.79 1.01 -1.26 -3.51 120.40 124.91 1bbp s VAL 177 Ca 0.75 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1bbp s VAL 177 Cb -0.39 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1bbp s VAL 177 CO 0.32 0.19 0.23 -0.46 0.00 0.00 0.00 175.10 175.38