#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 3.00 -0.05 2.41 1.01 -1.26 -5.00 120.40 120.51 1bbp s VAL 3 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.77 1bbp s VAL 3 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1bbp s VAL 3 CO 0.00 0.00 -0.10 -0.31 0.00 0.00 0.00 175.10 174.70 1bbp s TYR 4 N 1.29 2.84 0.10 5.22 2.02 -1.26 -0.68 117.35 126.88 1bbp s TYR 4 Ca -0.03 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1bbp s TYR 4 Cb -0.19 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1bbp s TYR 4 CO -0.02 0.29 0.02 -1.01 -1.57 0.00 0.00 175.55 173.26 1bbp s HIS 5 N -0.81 0.76 0.43 2.71 3.76 0.08 -5.00 115.29 117.22 1bbp s HIS 5 Ca 0.13 -1.16 -0.17 0.00 -0.15 0.00 0.00 55.06 53.70 1bbp s HIS 5 Cb -0.11 -0.46 -0.09 0.00 1.11 0.00 0.00 32.58 33.03 1bbp s HIS 5 CO 0.02 -0.45 0.90 0.34 -0.85 0.00 0.00 174.74 174.70 1bbp s ASP 6 N -3.01 6.76 0.00 1.40 3.68 -1.26 0.32 116.67 124.56 1bbp s ASP 6 Ca 0.18 1.51 0.00 0.00 2.13 0.00 0.00 52.55 56.37 1bbp s ASP 6 Cb 0.08 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1bbp s ASP 6 CO -0.02 -0.40 0.00 0.61 0.13 0.00 0.00 175.17 175.48 1bbp n GLY 7 N -0.95 0.31 3.67 2.66 0.00 0.50 -4.69 105.19 106.69 1bbp n GLY 7 Ca 0.06 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.86 0.98 0.24 4.61 0.00 -1.26 -3.00 121.76 121.47 1bbp s ALA 8 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1bbp s ALA 8 Cb 0.00 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 1bbp s ALA 8 CO 0.00 -3.00 1.58 0.00 0.00 0.00 0.00 175.76 174.33 1bbp s PRO 10 N 0.20 3.07 -0.01 0.00 0.04 -1.26 -5.00 135.00 132.04 1bbp s PRO 10 Ca 0.66 1.31 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 1bbp s PRO 10 Cb -0.46 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1bbp s PRO 10 CO 0.40 -1.02 0.73 -1.21 0.04 0.00 0.00 177.00 175.93 1bbp s GLU 11 N -4.05 4.45 0.22 4.56 2.02 -1.26 -5.02 118.70 119.62 1bbp s GLU 11 Ca 0.66 0.96 0.10 0.00 0.02 0.00 0.00 54.97 56.71 1bbp s GLU 11 Cb -0.19 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1bbp s GLU 11 CO 0.39 0.18 -0.20 0.14 0.02 0.00 0.00 175.26 175.79 1bbp s VAL 12 N 0.35 2.16 -0.30 2.63 -7.23 -1.26 -5.12 120.40 111.63 1bbp s VAL 12 Ca 0.38 -2.16 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 1bbp s VAL 12 Cb -0.19 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.66 1bbp s VAL 12 CO 0.20 -0.33 0.10 -0.54 -0.31 0.00 0.00 175.10 174.22 1bbp s LYS 13 N -3.13 3.09 0.83 4.82 1.02 -1.26 -5.09 119.74 120.03 1bbp s LYS 13 Ca 0.23 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 1bbp s LYS 13 Cb -0.05 -3.43 0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1bbp s LYS 13 CO 0.10 -0.46 1.12 -2.14 -0.92 0.00 0.00 175.35 173.05 1bbp s PRO 14 N 1.52 1.80 0.34 -1.68 0.02 -1.26 -4.75 135.00 130.98 1bbp s PRO 14 Ca 0.03 0.45 -0.28 0.00 0.02 0.00 0.00 61.00 61.22 1bbp s PRO 14 Cb -0.17 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 1bbp s PRO 14 CO 0.03 -1.78 1.21 0.14 -0.33 0.00 0.00 177.00 176.28 1bbp s VAL 15 N -3.25 3.03 -1.15 3.83 -7.23 0.16 -4.73 120.40 111.06 1bbp s VAL 15 Ca 0.62 1.00 0.18 0.00 -1.81 0.00 0.00 61.98 61.96 1bbp s VAL 15 Cb -0.14 -3.62 0.64 0.00 0.56 0.00 0.00 36.38 33.83 1bbp s VAL 15 CO 0.53 0.20 1.55 -0.90 -0.31 0.00 0.00 175.10 176.18 1bbp n ASP 16 N 0.72 4.35 -1.88 4.85 3.85 -1.26 0.12 116.55 127.30 1bbp n ASP 16 Ca 0.01 -2.37 0.01 0.00 -0.71 0.00 0.00 54.79 51.72 1bbp n ASP 16 Cb 0.44 -0.52 0.05 0.00 -1.35 0.00 0.00 41.12 39.74 1bbp n ASP 16 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1bbp n ASN 17 N 0.99 1.59 -4.66 -1.12 6.94 -0.76 -4.63 115.26 113.62 1bbp n ASN 17 Ca 0.23 -2.37 -0.42 0.00 -0.02 0.00 0.00 54.58 52.00 1bbp n ASN 17 Cb 0.79 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1bbp n ASN 17 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1bbp s PHE 18 N -1.93 2.20 -0.84 -2.53 2.19 0.12 -4.95 117.98 112.22 1bbp s PHE 18 Ca 0.34 0.40 -0.23 0.00 0.33 0.00 0.00 56.93 57.76 1bbp s PHE 18 Cb 0.37 -3.81 0.07 0.00 -1.31 0.00 0.00 43.02 38.33 1bbp s PHE 18 CO -0.10 -3.31 1.22 0.34 1.83 0.00 0.00 175.22 175.21 1bbp s ASP 19 N 3.01 6.36 0.56 6.13 2.15 -1.26 -3.79 116.67 129.83 1bbp s ASP 19 Ca 0.69 -1.21 0.37 0.00 0.43 0.00 0.00 52.55 52.82 1bbp s ASP 19 Cb -0.30 -2.50 2.01 0.00 -0.30 0.00 0.00 42.92 41.83 1bbp s ASP 19 CO 0.26 -1.48 2.13 -0.25 -0.17 0.00 0.00 175.17 175.65 1bbp h TRP 20 N 9.60 0.00 0.00 -5.34 2.91 -1.93 -1.51 115.95 119.68 1bbp h TRP 20 Ca -0.05 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.97 1bbp h TRP 20 Cb 1.04 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1bbp h TRP 20 CO 1.14 0.00 -0.01 -1.13 -1.03 0.00 0.00 178.44 177.42 1bbp n SER 21 N -2.82 0.74 0.04 2.65 3.41 -1.26 -1.93 113.62 114.45 1bbp n SER 21 Ca -0.02 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1bbp n SER 21 Cb 0.08 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 63.53 1bbp n SER 21 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bbp n ASN 22 N -2.19 0.58 -3.75 4.04 5.15 -0.57 -4.64 115.26 113.87 1bbp n ASN 22 Ca 0.06 0.09 -0.42 0.00 -0.60 0.00 0.00 54.58 53.70 1bbp n ASN 22 Cb 0.42 0.05 -0.02 0.00 -0.53 0.00 0.00 39.78 39.69 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 -1.88 2.91 -3.86 1.20 -0.00 -0.82 -4.76 117.16 109.95 1bbp n TYR 23 Ca 0.04 -2.47 -0.09 0.00 -0.00 0.00 0.00 57.90 55.39 1bbp n TYR 23 Cb 0.40 -2.23 -0.04 0.00 -0.00 0.00 0.00 39.34 37.47 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 4.20 0.04 0.00 2.98 -3.43 -1.26 -4.78 115.29 113.04 1bbp s HIS 24 Ca 0.52 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 1bbp s HIS 24 Cb 0.13 0.39 0.00 0.00 -1.43 0.00 0.00 32.58 31.68 1bbp s HIS 24 CO 0.01 -1.02 0.00 0.41 -2.00 0.00 0.00 174.74 172.13 1bbp n GLY 25 N -0.38 -2.24 3.63 -1.38 0.00 -0.23 -4.83 105.19 99.76 1bbp n GLY 25 Ca -0.05 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.24 4.09 -0.25 1.61 2.20 -1.26 -1.69 119.74 124.21 1bbp s LYS 26 Ca 0.00 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1bbp s LYS 26 Cb 0.00 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1bbp s LYS 26 CO 0.00 -0.29 -0.09 -1.58 -0.36 0.00 0.00 175.35 173.03 1bbp s TRP 27 N 2.10 3.11 0.26 4.03 0.52 0.96 -4.48 118.94 125.44 1bbp s TRP 27 Ca 0.21 -1.87 -0.29 0.00 0.02 0.00 0.00 56.10 54.16 1bbp s TRP 27 Cb -0.16 -2.00 -0.10 0.00 -1.15 0.00 0.00 33.47 30.07 1bbp s TRP 27 CO 0.09 -0.80 1.28 -1.58 0.02 0.00 0.00 176.95 175.95 1bbp s TRP 28 N 1.23 3.23 -1.05 -1.98 0.52 0.12 -0.26 118.94 120.76 1bbp s TRP 28 Ca -0.03 1.37 -0.22 0.00 0.02 0.00 0.00 56.10 57.25 1bbp s TRP 28 Cb -0.18 -3.58 0.06 0.00 -1.15 0.00 0.00 33.47 28.63 1bbp s TRP 28 CO -0.06 -1.66 1.45 -2.00 0.02 0.00 0.00 176.95 174.70 1bbp s GLU 29 N -0.99 3.65 0.24 4.98 2.12 -0.39 -0.73 118.70 127.58 1bbp s GLU 29 Ca 0.52 -1.33 0.01 0.00 0.36 0.00 0.00 54.97 54.53 1bbp s GLU 29 Cb -0.37 -5.32 0.26 0.00 0.26 0.00 0.00 34.13 28.96 1bbp s GLU 29 CO 0.44 -2.16 1.60 0.28 -0.54 0.00 0.00 175.26 174.88 1bbp h VAL 30 N 6.50 1.32 -3.23 3.70 2.07 -1.03 -3.39 116.25 122.19 1bbp h VAL 30 Ca 0.23 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 1bbp h VAL 30 Cb 0.99 1.72 -0.10 0.00 -1.52 0.00 0.00 31.29 32.37 1bbp h VAL 30 CO 1.39 0.51 0.07 0.00 0.02 0.00 0.00 177.57 179.56 1bbp s ALA 31 N -4.08 -1.08 0.23 1.67 0.00 -1.15 -0.48 121.76 116.86 1bbp s ALA 31 Ca -0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 1bbp s ALA 31 Cb 0.12 0.84 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1bbp s ALA 31 CO 0.81 -0.80 0.78 -1.59 0.00 0.00 0.00 175.76 174.96 1bbp s LYS 32 N -3.85 1.55 0.02 0.00 -2.85 -0.27 -0.72 119.74 113.63 1bbp s LYS 32 Ca 0.07 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 53.92 1bbp s LYS 32 Cb -0.01 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 1bbp s LYS 32 CO -0.05 -0.71 0.94 0.71 0.10 0.00 0.00 175.35 176.34 1bbp s TYR 33 N -3.71 3.69 0.36 1.78 4.12 -0.42 -0.52 117.35 122.66 1bbp s TYR 33 Ca 0.10 1.67 -0.28 0.00 0.02 0.00 0.00 57.07 58.58 1bbp s TYR 33 Cb -0.04 -3.06 -0.12 0.00 -1.52 0.00 0.00 41.96 37.22 1bbp s TYR 33 CO 0.03 0.06 1.41 -2.30 0.02 0.00 0.00 175.55 174.77 1bbp n PRO 34 N 3.58 2.44 -4.15 -1.71 -0.02 -1.26 -4.59 135.00 129.29 1bbp n PRO 34 Ca 0.04 0.86 -0.10 0.00 -2.02 0.00 0.00 63.50 62.28 1bbp n PRO 34 Cb 0.51 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.20 0.61 0.23 2.55 4.22 -1.26 -2.55 114.94 118.54 1bbp s ASN 35 Ca 0.54 -1.12 0.02 0.00 -2.14 0.00 0.00 52.86 50.16 1bbp s ASN 35 Cb -0.52 0.21 0.22 0.00 1.28 0.00 0.00 41.25 42.45 1bbp s ASN 35 CO 0.63 -0.63 1.55 0.28 -2.04 0.00 0.00 177.10 176.89 1bbp h SER 36 N 2.93 0.39 0.01 3.54 0.02 -1.99 -3.18 113.55 115.28 1bbp h SER 36 Ca -0.35 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.35 1bbp h SER 36 Cb 1.18 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1bbp h SER 36 CO 0.62 0.88 -0.08 0.58 -1.14 0.00 0.00 176.83 177.69 1bbp h VAL 37 N 0.27 1.13 -0.47 2.27 2.07 -2.02 -2.96 116.25 116.54 1bbp h VAL 37 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1bbp h VAL 37 Cb 1.08 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1bbp h VAL 37 CO 0.09 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 1bbp n GLU 38 N -4.35 3.41 -1.75 1.57 1.02 -1.23 -4.97 120.64 114.33 1bbp n GLU 38 Ca -0.01 -2.71 -0.42 0.00 -0.02 0.00 0.00 57.16 54.00 1bbp n GLU 38 Cb 0.21 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1bbp n GLU 38 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1bbp n LYS 39 N 0.51 2.58 -0.38 3.49 2.85 -1.12 -2.10 118.16 123.99 1bbp n LYS 39 Ca 0.22 0.91 0.00 0.00 -1.05 0.00 0.00 58.31 58.39 1bbp n LYS 39 Cb 0.81 -2.63 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1bbp n LYS 39 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bbp n TYR 40 N 0.96 0.00 -2.43 5.58 4.01 -1.26 -5.00 117.16 119.03 1bbp n TYR 40 Ca 0.04 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.41 1bbp n TYR 40 Cb 0.38 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 1bbp n TYR 40 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bbp s GLY 41 N -2.00 2.78 0.28 2.72 0.00 -0.89 -4.81 107.32 105.41 1bbp s GLY 41 Ca 0.00 0.81 0.10 0.00 0.00 0.00 0.00 44.72 45.63 1bbp s GLY 41 CO 0.00 1.27 -0.15 0.54 0.00 0.00 0.00 173.10 174.77 1bbp s LYS 42 N -2.45 1.63 -1.35 2.90 1.02 -0.04 -4.88 119.74 116.56 1bbp s LYS 42 Ca 0.58 -1.78 -0.05 0.00 0.02 0.00 0.00 55.97 54.74 1bbp s LYS 42 Cb -0.26 -1.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1bbp s LYS 42 CO 0.32 0.22 0.91 0.00 -0.92 0.00 0.00 175.35 175.88 1bbp s GLY 44 N -3.92 2.24 0.14 0.00 0.00 -1.26 -4.44 107.32 100.08 1bbp s GLY 44 Ca 0.27 0.52 -0.19 0.00 0.00 0.00 0.00 44.72 45.31 1bbp s GLY 44 CO 0.79 0.85 0.49 0.66 0.00 0.00 0.00 173.10 175.89 1bbp s TRP 45 N -2.28 -0.36 0.04 1.90 -2.14 -0.39 -1.26 118.94 114.45 1bbp s TRP 45 Ca 0.66 0.10 0.08 0.00 2.66 0.00 0.00 56.10 59.60 1bbp s TRP 45 Cb -0.18 0.40 -0.03 0.00 -3.10 0.00 0.00 33.47 30.56 1bbp s TRP 45 CO 0.35 -0.77 -0.22 0.00 -2.66 0.00 0.00 176.95 173.65 1bbp s ALA 46 N -3.75 2.44 -0.08 2.67 0.00 0.64 -0.47 121.76 123.21 1bbp s ALA 46 Ca 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1bbp s ALA 46 Cb 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.53 1bbp s ALA 46 CO -0.12 0.55 -0.02 -2.00 0.00 0.00 0.00 175.76 174.17 1bbp s GLU 47 N -1.34 0.87 -0.36 0.00 2.12 0.46 -0.03 118.70 120.42 1bbp s GLU 47 Ca 0.13 -0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.38 1bbp s GLU 47 Cb -0.10 -1.12 0.05 0.00 0.26 0.00 0.00 34.13 33.22 1bbp s GLU 47 CO 0.04 -0.27 0.15 0.71 -0.54 0.00 0.00 175.26 175.35 1bbp s TYR 48 N 1.78 3.29 -0.43 5.30 2.02 -0.68 -1.37 117.35 127.26 1bbp s TYR 48 Ca 0.03 -1.47 -0.09 0.00 -0.37 0.00 0.00 57.07 55.17 1bbp s TYR 48 Cb -0.13 -2.49 0.09 0.00 -0.40 0.00 0.00 41.96 39.03 1bbp s TYR 48 CO -0.05 -0.76 0.27 0.99 -1.57 0.00 0.00 175.55 174.42 1bbp s THR 49 N 1.40 4.19 0.42 -0.71 2.01 -0.02 -1.07 115.64 121.86 1bbp s THR 49 Ca 0.00 -1.49 -0.26 0.00 0.31 0.00 0.00 61.69 60.25 1bbp s THR 49 Cb -0.20 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 1bbp s THR 49 CO 0.03 -0.56 1.38 -2.16 -0.69 0.00 0.00 174.62 172.62 1bbp s PRO 50 N 1.40 3.89 -0.41 4.92 0.04 -1.26 -0.08 135.00 143.51 1bbp s PRO 50 Ca 0.04 2.33 0.09 0.00 0.04 0.00 0.00 61.00 63.49 1bbp s PRO 50 Cb -0.24 -2.76 0.28 0.00 0.04 0.00 0.00 34.50 31.83 1bbp s PRO 50 CO 0.01 -0.62 0.61 0.39 0.04 0.00 0.00 177.00 177.43 1bbp n GLU 51 N 0.07 0.97 0.00 4.56 1.02 0.68 -4.82 120.64 123.11 1bbp n GLU 51 Ca 0.04 -3.40 0.00 0.00 -0.02 0.00 0.00 57.16 53.77 1bbp n GLU 51 Cb 0.42 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1bbp n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bbp n GLY 52 N 1.01 0.21 0.13 0.62 0.00 -1.26 -1.76 105.19 104.14 1bbp n GLY 52 Ca 0.23 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.84 1bbp n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bbp h LYS 53 N 0.00 0.19 0.00 1.61 1.79 -1.98 -3.47 116.57 114.71 1bbp h LYS 53 Ca 0.00 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.19 1bbp h LYS 53 Cb 0.00 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1bbp h LYS 53 CO 0.00 0.90 -0.06 0.43 -1.08 0.00 0.00 179.45 179.65 1bbp n SER 54 N -3.70 1.97 -3.82 0.86 7.64 -0.72 -4.72 113.62 111.12 1bbp n SER 54 Ca -0.03 -1.29 -0.13 0.00 1.01 0.00 0.00 58.87 58.43 1bbp n SER 54 Cb 0.77 0.04 -0.13 0.00 -1.01 0.00 0.00 64.21 63.87 1bbp n SER 54 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bbp s VAL 55 N -1.04 -0.01 0.04 0.44 1.01 -0.48 -0.23 120.40 120.13 1bbp s VAL 55 Ca 0.01 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1bbp s VAL 55 Cb -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1bbp s VAL 55 CO 0.01 0.01 0.77 -0.54 0.00 0.00 0.00 175.10 175.35 1bbp s LYS 56 N 0.26 4.50 -0.14 2.72 1.02 0.89 -0.73 119.74 128.26 1bbp s LYS 56 Ca -0.02 1.07 -0.03 0.00 0.02 0.00 0.00 55.97 57.01 1bbp s LYS 56 Cb -0.03 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1bbp s LYS 56 CO -0.01 0.27 -0.04 0.08 -0.92 0.00 0.00 175.35 174.73 1bbp s VAL 57 N -0.01 3.91 -0.05 3.17 1.01 -0.12 -0.84 120.40 127.47 1bbp s VAL 57 Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1bbp s VAL 57 Cb -0.20 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1bbp s VAL 57 CO 0.23 0.52 -0.03 -0.44 0.00 0.00 0.00 175.10 175.38 1bbp s SER 58 N 0.07 1.13 -0.16 3.32 0.01 -0.47 0.13 113.70 117.72 1bbp s SER 58 Ca -0.00 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1bbp s SER 58 Cb -0.13 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.65 1bbp s SER 58 CO 0.03 -0.09 -0.17 0.20 0.41 0.00 0.00 173.24 173.61 1bbp s ASN 59 N 1.22 3.46 0.31 2.44 0.02 -0.33 -0.41 114.94 121.65 1bbp s ASN 59 Ca -0.06 -0.54 0.10 0.00 -1.02 0.00 0.00 52.86 51.34 1bbp s ASN 59 Cb -0.14 -1.53 -0.05 0.00 0.02 0.00 0.00 41.25 39.55 1bbp s ASN 59 CO -0.02 0.06 -0.09 -0.31 0.02 0.00 0.00 177.10 176.76 1bbp s TYR 60 N 0.98 2.45 0.35 2.20 2.02 0.38 -1.45 117.35 124.28 1bbp s TYR 60 Ca -0.03 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 1bbp s TYR 60 Cb -0.15 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1bbp s TYR 60 CO -0.04 0.61 0.66 -3.38 -1.57 0.00 0.00 175.55 171.83 1bbp s HIS 61 N -2.51 0.42 -0.07 2.71 -3.43 -0.80 -1.26 115.29 110.35 1bbp s HIS 61 Ca 0.32 -0.91 0.03 0.00 -0.80 0.00 0.00 55.06 53.70 1bbp s HIS 61 Cb -0.02 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.61 1bbp s HIS 61 CO 0.17 -1.36 -0.18 0.08 -2.00 0.00 0.00 174.74 171.45 1bbp s VAL 62 N -2.81 1.56 -0.15 -5.38 1.01 0.37 -1.96 120.40 113.03 1bbp s VAL 62 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1bbp s VAL 62 Cb -0.03 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1bbp s VAL 62 CO 0.14 0.45 -0.09 -0.63 0.00 0.00 0.00 175.10 174.96 1bbp s ILE 63 N 0.40 1.32 -1.26 2.22 1.01 0.61 -0.86 121.20 124.64 1bbp s ILE 63 Ca -0.14 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 1bbp s ILE 63 Cb -0.16 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.98 1bbp s ILE 63 CO 0.05 0.29 0.59 1.41 0.00 0.00 0.00 174.94 177.29 1bbp n HIS 64 N 4.83 -1.52 -0.83 3.97 8.25 -1.26 -1.04 115.22 127.61 1bbp n HIS 64 Ca -0.14 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1bbp n HIS 64 Cb 0.49 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.55 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 -2.05 1.23 3.49 -1.41 0.00 -1.25 -4.96 105.19 100.24 1bbp n GLY 65 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.04 3.03 -0.12 1.61 2.20 -0.20 -0.05 119.74 126.17 1bbp s LYS 66 Ca 0.00 -0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 54.90 1bbp s LYS 66 Cb 0.00 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 1bbp s LYS 66 CO 0.00 0.47 0.23 -2.00 -0.36 0.00 0.00 175.35 173.68 1bbp s GLU 67 N -0.29 3.83 0.09 4.03 2.12 -1.26 -0.28 118.70 126.95 1bbp s GLU 67 Ca 0.03 0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.45 1bbp s GLU 67 Cb -0.13 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1bbp s GLU 67 CO 0.03 0.57 -0.18 0.71 -0.54 0.00 0.00 175.26 175.85 1bbp s TYR 68 N -0.50 1.54 0.13 5.30 1.51 -0.83 -5.00 117.35 119.51 1bbp s TYR 68 Ca 0.16 -0.44 -0.21 0.00 -1.01 0.00 0.00 57.07 55.57 1bbp s TYR 68 Cb -0.13 -0.85 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1bbp s TYR 68 CO 0.05 0.15 0.54 -0.59 -1.11 0.00 0.00 175.55 174.59 1bbp s PHE 69 N -1.28 -0.45 0.14 2.71 -0.71 -1.26 -1.90 117.98 115.24 1bbp s PHE 69 Ca 0.03 0.25 0.10 0.00 -1.04 0.00 0.00 56.93 56.27 1bbp s PHE 69 Cb -0.10 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1bbp s PHE 69 CO 0.03 -0.79 -0.23 -1.50 -1.34 0.00 0.00 175.22 171.40 1bbp s ILE 70 N -3.58 2.01 0.03 -4.49 2.07 -0.53 -4.96 121.20 111.76 1bbp s ILE 70 Ca 0.01 -1.78 0.09 0.00 -1.41 0.00 0.00 60.65 57.56 1bbp s ILE 70 Cb -0.00 -1.85 -0.03 0.00 0.13 0.00 0.00 42.46 40.71 1bbp s ILE 70 CO -0.11 -0.08 -0.26 -1.61 -1.91 0.00 0.00 174.94 170.97 1bbp s GLU 71 N -2.28 1.89 0.00 3.50 2.02 -1.26 -1.19 118.70 121.38 1bbp s GLU 71 Ca 0.13 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1bbp s GLU 71 Cb -0.09 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1bbp s GLU 71 CO 0.06 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.28 1bbp n GLY 72 N 1.91 3.32 3.00 -1.39 0.00 0.12 -4.80 105.19 107.34 1bbp n GLY 72 Ca -0.17 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 1bbp n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bbp s THR 73 N -2.43 0.03 0.04 2.61 2.01 -1.00 -0.95 115.64 115.95 1bbp s THR 73 Ca 0.00 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1bbp s THR 73 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 1bbp s THR 73 CO 0.00 -0.16 -0.14 0.00 -0.69 0.00 0.00 174.62 173.63 1bbp s ALA 74 N -0.48 1.18 0.06 7.40 0.00 0.09 -0.57 121.76 129.44 1bbp s ALA 74 Ca -0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.83 1bbp s ALA 74 Cb -0.04 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.96 1bbp s ALA 74 CO 0.00 0.22 0.60 1.52 0.00 0.00 0.00 175.76 178.11 1bbp s TYR 75 N -0.85 -0.54 0.40 0.00 -0.85 -0.81 -1.39 117.35 113.32 1bbp s TYR 75 Ca 0.02 0.62 -0.26 0.00 -0.52 0.00 0.00 57.07 56.92 1bbp s TYR 75 Cb -0.08 0.45 -0.09 0.00 0.38 0.00 0.00 41.96 42.62 1bbp s TYR 75 CO 0.01 -0.71 1.28 -2.14 -1.52 0.00 0.00 175.55 172.46 1bbp s PRO 76 N -2.58 3.99 0.22 -3.49 0.02 -1.26 -0.21 135.00 131.69 1bbp s PRO 76 Ca -0.05 2.10 -0.05 0.00 0.02 0.00 0.00 61.00 63.02 1bbp s PRO 76 Cb -0.01 -2.75 0.20 0.00 0.02 0.00 0.00 34.50 31.96 1bbp s PRO 76 CO -0.03 -0.45 1.67 0.28 -0.33 0.00 0.00 177.00 178.14 1bbp h VAL 77 N 2.45 1.26 0.00 3.83 2.07 -1.53 -3.43 116.25 120.89 1bbp h VAL 77 Ca -0.49 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1bbp h VAL 77 Cb 1.24 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1bbp h VAL 77 CO 0.63 0.41 0.00 0.61 0.02 0.00 0.00 177.57 179.24 1bbp n GLY 78 N -0.41 2.63 3.71 2.17 0.00 -1.26 -5.03 105.19 107.00 1bbp n GLY 78 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1bbp n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bbp s ASP 79 N 1.11 6.52 0.49 1.61 2.15 -1.26 -4.90 116.67 122.38 1bbp s ASP 79 Ca 0.00 2.66 0.26 0.00 0.43 0.00 0.00 52.55 55.90 1bbp s ASP 79 Cb 0.00 -2.58 1.21 0.00 -0.30 0.00 0.00 42.92 41.24 1bbp s ASP 79 CO 0.00 -0.90 1.95 0.77 -0.17 0.00 0.00 175.17 176.82 1bbp h SER 80 N 7.47 0.00 0.33 -0.34 4.64 -1.95 -2.01 113.55 121.69 1bbp h SER 80 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1bbp h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1bbp h SER 80 CO 0.93 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 177.35 1bbp n LYS 84 N -3.48 0.52 -3.96 4.77 5.02 -1.25 -4.48 118.16 115.30 1bbp n LYS 84 Ca -0.01 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.96 1bbp n LYS 84 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 1bbp n LYS 84 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bbp s ILE 85 N -2.39 5.02 -0.16 -0.18 1.01 -0.76 0.11 121.20 123.85 1bbp s ILE 85 Ca 0.29 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 1bbp s ILE 85 Cb 0.18 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 39.27 1bbp s ILE 85 CO 0.37 0.50 2.27 0.61 0.00 0.00 0.00 174.94 178.68 1bbp n GLY 86 N 3.08 2.32 2.86 6.18 0.00 0.12 -4.65 105.19 115.09 1bbp n GLY 86 Ca -0.17 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1bbp n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbp s LYS 87 N 2.12 1.22 -0.11 1.61 1.02 -1.26 0.35 119.74 124.69 1bbp s LYS 87 Ca 0.39 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1bbp s LYS 87 Cb 0.17 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1bbp s LYS 87 CO -0.01 -0.62 -0.16 0.42 -0.92 0.00 0.00 175.35 174.06 1bbp s ILE 88 N 1.58 1.56 0.25 2.17 1.01 -0.68 -1.33 121.20 125.77 1bbp s ILE 88 Ca -0.04 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1bbp s ILE 88 Cb -0.18 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.78 1bbp s ILE 88 CO -0.07 0.45 1.16 -0.31 0.00 0.00 0.00 174.94 176.17 1bbp s TYR 89 N 0.93 3.46 -0.28 3.97 2.02 0.71 -0.82 117.35 127.35 1bbp s TYR 89 Ca -0.07 1.57 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 1bbp s TYR 89 Cb -0.15 -3.38 0.07 0.00 -0.40 0.00 0.00 41.96 38.09 1bbp s TYR 89 CO -0.01 -0.93 -0.08 -1.01 -1.57 0.00 0.00 175.55 171.96 1bbp s HIS 90 N -0.80 3.35 -0.58 2.71 3.76 0.61 -1.92 115.29 122.42 1bbp s HIS 90 Ca 0.48 -2.41 -0.25 0.00 -0.15 0.00 0.00 55.06 52.73 1bbp s HIS 90 Cb -0.33 -2.11 0.04 0.00 1.11 0.00 0.00 32.58 31.29 1bbp s HIS 90 CO 0.41 -0.89 1.04 0.21 -0.85 0.00 0.00 174.74 174.67 1bbp s LYS 91 N 1.08 3.36 0.12 1.40 2.20 0.27 -1.86 119.74 126.31 1bbp s LYS 91 Ca -0.06 -0.15 0.06 0.00 -0.36 0.00 0.00 55.97 55.46 1bbp s LYS 91 Cb -0.20 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.02 1bbp s LYS 91 CO -0.05 -1.62 -0.14 -0.51 -0.36 0.00 0.00 175.35 172.68 1bbp s LEU 92 N 4.39 2.40 -0.12 5.43 1.43 -1.05 -2.38 118.68 128.78 1bbp s LEU 92 Ca 0.34 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1bbp s LEU 92 Cb -0.11 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1bbp s LEU 92 CO 0.20 -0.15 -0.21 -0.89 0.23 0.00 0.00 176.35 175.52 1bbp s THR 93 N -2.14 2.23 -0.02 5.49 2.01 -1.26 -1.77 115.64 120.18 1bbp s THR 93 Ca 0.08 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1bbp s THR 93 Cb -0.05 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 1bbp s THR 93 CO 0.03 0.55 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.08 1bbp s TYR 94 N 0.53 1.10 -1.52 4.92 1.51 -0.14 -4.83 117.35 118.92 1bbp s TYR 94 Ca -0.13 -0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1bbp s TYR 94 Cb -0.17 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1bbp s TYR 94 CO 0.05 -0.08 0.39 0.41 -1.11 0.00 0.00 175.55 175.20 1bbp n GLY 95 N 3.12 -0.51 2.98 0.71 0.00 -1.26 -1.44 105.19 108.80 1bbp n GLY 95 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.28 1.98 3.56 -0.02 0.00 -1.26 -5.00 105.19 103.18 1bbp n GLY 96 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.50 4.25 -0.22 1.61 1.01 -0.52 -5.08 120.40 117.95 1bbp s VAL 97 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1bbp s VAL 97 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1bbp s VAL 97 CO 0.00 0.49 0.28 -0.89 0.00 0.00 0.00 175.10 174.98 1bbp s THR 98 N 0.25 5.28 0.08 3.92 2.01 -1.26 -0.97 115.64 124.95 1bbp s THR 98 Ca -0.00 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.50 1bbp s THR 98 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1bbp s THR 98 CO 0.02 0.29 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.53 1bbp s LYS 99 N 1.22 0.99 -0.98 4.92 1.02 -0.73 -5.01 119.74 121.18 1bbp s LYS 99 Ca 0.13 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 1bbp s LYS 99 Cb -0.14 -1.11 0.22 0.00 -0.52 0.00 0.00 37.83 36.28 1bbp s LYS 99 CO 0.06 0.26 1.01 -1.21 -0.92 0.00 0.00 175.35 174.55 1bbp s GLU 100 N -1.71 3.85 -0.00 1.68 2.02 -1.26 -2.53 118.70 120.75 1bbp s GLU 100 Ca 0.02 -2.61 -0.30 0.00 0.02 0.00 0.00 54.97 52.10 1bbp s GLU 100 Cb -0.10 -4.62 -0.05 0.00 0.10 0.00 0.00 34.13 29.47 1bbp s GLU 100 CO 0.03 -1.40 1.24 -0.80 0.02 0.00 0.00 175.26 174.34 1bbp s ASN 101 N 2.19 7.02 -0.17 -0.19 0.01 -0.78 -4.74 114.94 118.29 1bbp s ASN 101 Ca 0.27 1.95 -0.25 0.00 -0.71 0.00 0.00 52.86 54.12 1bbp s ASN 101 Cb -0.08 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1bbp s ASN 101 CO -0.08 -0.57 0.81 0.54 -1.51 0.00 0.00 177.10 176.30 1bbp s VAL 102 N 1.81 4.90 -0.28 1.60 0.11 -1.26 -0.28 120.40 126.99 1bbp s VAL 102 Ca 0.58 1.58 -0.09 0.00 -2.93 0.00 0.00 61.98 61.13 1bbp s VAL 102 Cb -0.28 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.44 1bbp s VAL 102 CO 0.25 0.04 0.12 0.12 -3.33 0.00 0.00 175.10 172.30 1bbp s PHE 103 N 2.09 3.14 -0.23 1.54 5.36 0.00 -4.48 117.98 125.41 1bbp s PHE 103 Ca 0.37 -0.46 -0.12 0.00 -0.96 0.00 0.00 56.93 55.76 1bbp s PHE 103 Cb -0.16 -2.31 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 1bbp s PHE 103 CO 0.12 -0.39 0.24 -0.80 -1.46 0.00 0.00 175.22 172.93 1bbp s ASN 104 N 1.62 6.22 -0.47 6.13 0.01 0.86 -1.69 114.94 127.62 1bbp s ASN 104 Ca 0.05 0.24 -0.25 0.00 -0.71 0.00 0.00 52.86 52.20 1bbp s ASN 104 Cb -0.16 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.38 1bbp s ASN 104 CO 0.05 0.02 0.90 -0.69 -1.51 0.00 0.00 177.10 175.88 1bbp s VAL 105 N 1.13 4.49 -0.16 1.60 1.01 0.15 -0.83 120.40 127.79 1bbp s VAL 105 Ca 0.11 0.63 0.18 0.00 0.00 0.00 0.00 61.98 62.90 1bbp s VAL 105 Cb -0.14 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 1bbp s VAL 105 CO 0.05 -0.86 0.99 -0.07 0.00 0.00 0.00 175.10 175.22 1bbp h LEU 106 N 10.56 0.00 -7.00 3.92 3.38 -0.61 0.49 115.31 126.05 1bbp h LEU 106 Ca -0.24 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.80 1bbp h LEU 106 Cb 1.08 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 1bbp h LEU 106 CO 1.02 0.42 0.50 -0.55 0.09 0.00 0.00 178.44 179.93 1bbp s SER 107 N -5.81 -0.41 -0.18 -0.43 0.15 -1.13 -4.68 113.70 101.22 1bbp s SER 107 Ca -0.01 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 1bbp s SER 107 Cb 0.09 0.67 0.14 0.00 -1.71 0.00 0.00 66.02 65.21 1bbp s SER 107 CO 0.79 -0.20 1.09 0.28 1.20 0.00 0.00 173.24 176.40 1bbp s THR 108 N -0.18 0.00 -2.17 6.45 -1.32 -1.26 -0.52 115.64 116.64 1bbp s THR 108 Ca 0.02 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.69 1bbp s THR 108 Cb -0.04 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.19 1bbp s THR 108 CO -0.04 0.00 1.18 -0.90 -2.21 0.00 0.00 174.62 172.65 1bbp n ASP 109 N 0.56 2.81 -1.89 8.08 5.68 -1.16 -4.95 116.55 125.68 1bbp n ASP 109 Ca -0.07 -1.84 -0.19 0.00 -0.50 0.00 0.00 54.79 52.20 1bbp n ASP 109 Cb 0.58 -0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1bbp n ASP 109 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1bbp n ASN 110 N 1.10 -5.10 0.00 -1.12 3.02 -1.26 -4.72 115.26 107.18 1bbp n ASN 110 Ca 0.13 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1bbp n ASN 110 Cb 0.49 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1bbp n ASN 110 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1bbp n LYS 111 N -2.53 0.00 -0.05 3.52 2.85 -1.26 -4.86 118.16 115.83 1bbp n LYS 111 Ca -0.20 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.00 1bbp n LYS 111 Cb 0.63 -0.12 -0.07 0.00 -0.65 0.00 0.00 35.03 34.83 1bbp n LYS 111 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1bbp n ASN 112 N -2.24 2.81 -4.09 -5.58 5.03 -1.26 -4.82 115.26 105.10 1bbp n ASN 112 Ca 0.00 -0.02 -0.10 0.00 0.87 0.00 0.00 54.58 55.33 1bbp n ASN 112 Cb 0.00 0.47 -0.10 0.00 -1.02 0.00 0.00 39.78 39.13 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 -2.23 0.64 -0.04 3.10 1.13 -1.26 -1.48 117.35 117.21 1bbp s TYR 113 Ca -0.08 -0.80 -0.02 0.00 -1.41 0.00 0.00 57.07 54.76 1bbp s TYR 113 Cb 0.03 -0.40 0.03 0.00 -1.10 0.00 0.00 41.96 40.52 1bbp s TYR 113 CO 0.35 -0.21 0.09 0.42 -2.51 0.00 0.00 175.55 173.69 1bbp s ILE 114 N -2.86 -0.09 -0.23 -3.49 1.01 -0.60 -2.99 121.20 111.94 1bbp s ILE 114 Ca 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 1bbp s ILE 114 Cb 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.32 1bbp s ILE 114 CO -0.04 0.10 -0.06 -0.63 0.00 0.00 0.00 174.94 174.31 1bbp s ILE 115 N 1.40 3.06 0.13 2.92 1.01 0.32 -0.41 121.20 129.63 1bbp s ILE 115 Ca -0.06 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1bbp s ILE 115 Cb -0.12 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1bbp s ILE 115 CO -0.04 0.31 -0.14 -0.83 0.00 0.00 0.00 174.94 174.24 1bbp s GLY 116 N 1.39 1.13 -0.02 6.18 0.00 -0.69 0.13 107.32 115.45 1bbp s GLY 116 Ca 0.03 -1.36 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1bbp s GLY 116 CO -0.04 -1.42 -0.04 -0.47 0.00 0.00 0.00 173.10 171.12 1bbp s TYR 117 N -2.31 0.55 -0.03 1.90 5.04 -0.01 -1.73 117.35 120.76 1bbp s TYR 117 Ca 0.11 -0.11 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 1bbp s TYR 117 Cb -0.04 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.83 1bbp s TYR 117 CO 0.03 -0.08 -0.10 -0.47 -1.34 0.00 0.00 175.55 173.59 1bbp s TYR 118 N 0.38 1.07 -0.15 4.97 5.04 -0.62 -0.10 117.35 127.94 1bbp s TYR 118 Ca -0.04 -0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 1bbp s TYR 118 Cb -0.08 -0.77 -0.01 0.00 0.35 0.00 0.00 41.96 41.45 1bbp s TYR 118 CO -0.00 -0.13 -0.12 0.00 -1.34 0.00 0.00 175.55 173.96 1bbp s LYS 120 N 0.61 2.80 0.12 0.00 2.20 -0.05 -4.95 119.74 120.46 1bbp s LYS 120 Ca -0.07 -1.13 -0.21 0.00 -0.36 0.00 0.00 55.97 54.19 1bbp s LYS 120 Cb -0.15 -3.77 -0.07 0.00 -1.51 0.00 0.00 37.83 32.33 1bbp s LYS 120 CO 0.03 -0.75 0.65 -0.47 -0.36 0.00 0.00 175.35 174.45 1bbp s TYR 121 N 1.55 3.83 -0.44 4.03 5.04 -1.26 -0.11 117.35 129.98 1bbp s TYR 121 Ca 0.02 1.40 -0.07 0.00 -2.44 0.00 0.00 57.07 55.98 1bbp s TYR 121 Cb -0.20 -2.60 0.11 0.00 0.35 0.00 0.00 41.96 39.63 1bbp s TYR 121 CO 0.06 0.54 0.29 0.34 -1.34 0.00 0.00 175.55 175.45 1bbp s ASP 122 N -1.17 5.57 0.37 4.32 3.68 0.64 -4.97 116.67 125.10 1bbp s ASP 122 Ca 0.32 -1.87 0.05 0.00 2.13 0.00 0.00 52.55 53.18 1bbp s ASP 122 Cb -0.20 -1.96 0.73 0.00 -1.45 0.00 0.00 42.92 40.04 1bbp s ASP 122 CO 0.22 -0.62 2.00 1.05 0.13 0.00 0.00 175.17 177.94 1bbp h GLU 123 N 8.33 0.73 -0.08 4.34 9.09 -1.97 -0.55 114.58 134.48 1bbp h GLU 123 Ca -0.19 -0.04 -0.21 0.00 0.05 0.00 0.00 59.36 58.96 1bbp h GLU 123 Cb 1.07 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 1bbp h GLU 123 CO 0.80 0.49 -0.81 -0.44 0.05 0.00 0.00 179.01 179.10 1bbp h ASP 124 N 0.76 0.67 -0.33 3.06 3.45 -1.95 -3.30 116.42 118.78 1bbp h ASP 124 Ca 0.25 -0.46 0.00 0.00 0.43 0.00 0.00 57.03 57.25 1bbp h ASP 124 Cb 0.07 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1bbp h ASP 124 CO -0.07 1.24 0.00 0.29 -1.57 0.00 0.00 179.24 179.13 1bbp n LYS 125 N -3.85 2.26 -4.37 3.56 5.02 -1.01 -4.97 118.16 114.80 1bbp n LYS 125 Ca -0.06 -2.08 -0.35 0.00 -2.02 0.00 0.00 58.31 53.80 1bbp n LYS 125 Cb 0.76 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.26 1bbp n LYS 125 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bbp n LYS 126 N 1.18 -1.18 -4.29 1.97 5.02 -0.25 -4.87 118.16 115.74 1bbp n LYS 126 Ca 0.16 0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 1bbp n LYS 126 Cb 0.52 -4.17 -0.10 0.00 -0.02 0.00 0.00 35.03 31.27 1bbp n LYS 126 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1bbp s GLY 127 N -3.90 1.83 0.03 0.72 0.00 -1.13 -0.37 107.32 104.51 1bbp s GLY 127 Ca 0.36 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 1bbp s GLY 127 CO 1.00 -1.53 0.05 -2.38 0.00 0.00 0.00 173.10 170.24 1bbp s HIS 128 N -3.78 0.22 -0.13 1.90 -3.43 0.15 -0.26 115.29 109.96 1bbp s HIS 128 Ca 0.37 -0.51 -0.05 0.00 -0.80 0.00 0.00 55.06 54.08 1bbp s HIS 128 Cb 0.06 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.01 1bbp s HIS 128 CO 0.16 -0.30 0.06 -1.14 -2.00 0.00 0.00 174.74 171.51 1bbp s GLN 129 N -2.20 3.47 -0.16 -0.38 0.74 0.84 -0.74 119.66 121.23 1bbp s GLN 129 Ca -0.09 -0.32 -0.08 0.00 0.05 0.00 0.00 55.36 54.93 1bbp s GLN 129 Cb -0.04 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 1bbp s GLN 129 CO -0.03 0.56 0.11 -0.51 -0.55 0.00 0.00 175.29 174.87 1bbp s ASP 130 N -0.44 6.06 -0.15 6.67 -0.00 0.14 -0.87 116.67 128.08 1bbp s ASP 130 Ca 0.10 0.26 0.02 0.00 -0.00 0.00 0.00 52.55 52.93 1bbp s ASP 130 Cb -0.12 -2.01 0.01 0.00 -0.00 0.00 0.00 42.92 40.80 1bbp s ASP 130 CO 0.02 0.26 -0.21 -0.36 -0.00 0.00 0.00 175.17 174.88 1bbp s PHE 131 N -0.13 2.70 -0.01 4.23 0.40 -0.47 -4.30 117.98 120.40 1bbp s PHE 131 Ca 0.09 -1.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.05 1bbp s PHE 131 Cb -0.12 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 1bbp s PHE 131 CO 0.01 -0.66 -0.11 0.08 0.70 0.00 0.00 175.22 175.24 1bbp s VAL 132 N 0.92 0.90 -0.00 -0.44 1.01 -1.26 -1.58 120.40 119.95 1bbp s VAL 132 Ca -0.04 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1bbp s VAL 132 Cb -0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1bbp s VAL 132 CO -0.04 0.25 -0.12 0.26 0.00 0.00 0.00 175.10 175.45 1bbp s TRP 133 N -0.28 1.04 -0.36 5.22 0.51 -0.71 -1.30 118.94 123.07 1bbp s TRP 133 Ca 0.04 -0.22 -0.07 0.00 -2.12 0.00 0.00 56.10 53.73 1bbp s TRP 133 Cb -0.04 -0.66 0.05 0.00 -0.81 0.00 0.00 33.47 32.00 1bbp s TRP 133 CO -0.00 -0.01 0.15 0.08 -0.51 0.00 0.00 176.95 176.66 1bbp s VAL 134 N -0.36 3.97 -0.05 4.03 1.01 0.10 -1.71 120.40 127.39 1bbp s VAL 134 Ca 0.04 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1bbp s VAL 134 Cb -0.05 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1bbp s VAL 134 CO -0.00 -0.27 0.10 -0.76 0.00 0.00 0.00 175.10 174.17 1bbp s LEU 135 N 1.42 4.07 -0.06 3.92 1.43 0.45 -0.39 118.68 129.53 1bbp s LEU 135 Ca 0.00 0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 1bbp s LEU 135 Cb -0.20 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1bbp s LEU 135 CO 0.03 0.32 0.25 -0.55 0.23 0.00 0.00 176.35 176.64 1bbp s SER 136 N -1.46 -0.20 0.00 2.29 0.15 0.09 -1.56 113.70 113.01 1bbp s SER 136 Ca 0.20 0.29 0.20 0.00 0.70 0.00 0.00 55.95 57.34 1bbp s SER 136 Cb -0.12 0.42 0.98 0.00 -1.71 0.00 0.00 66.02 65.60 1bbp s SER 136 CO 0.10 -0.23 1.65 0.54 1.20 0.00 0.00 173.24 176.51 1bbp n ARG 137 N 2.26 0.20 -4.48 5.44 1.74 -0.55 0.15 116.66 121.43 1bbp n ARG 137 Ca -0.17 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.79 1bbp n ARG 137 Cb 0.57 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.38 1bbp n ARG 137 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bbp s SER 138 N -2.71 2.14 0.60 0.55 1.04 -1.26 -4.78 113.70 109.28 1bbp s SER 138 Ca 0.16 -0.51 0.36 0.00 0.48 0.00 0.00 55.95 56.44 1bbp s SER 138 Cb 0.14 -0.16 1.93 0.00 0.10 0.00 0.00 66.02 68.03 1bbp s SER 138 CO 0.33 0.09 2.23 0.11 0.98 0.00 0.00 173.24 176.98 1bbp h LYS 139 N 4.80 0.00 -4.78 4.02 1.57 -1.94 -3.41 116.57 116.83 1bbp h LYS 139 Ca -0.41 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.83 1bbp h LYS 139 Cb 1.17 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.15 1bbp h LYS 139 CO 0.43 0.03 -0.83 0.08 -0.57 0.00 0.00 179.45 178.60 1bbp s VAL 140 N -4.19 1.28 -0.01 0.50 1.01 -1.26 -4.90 120.40 112.83 1bbp s VAL 140 Ca -0.04 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1bbp s VAL 140 Cb 0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1bbp s VAL 140 CO 0.50 0.38 1.24 -0.76 0.00 0.00 0.00 175.10 176.46 1bbp s LEU 141 N 0.49 4.31 0.07 3.92 1.43 -1.26 -5.00 118.68 122.63 1bbp s LEU 141 Ca -0.13 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1bbp s LEU 141 Cb -0.15 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1bbp s LEU 141 CO 0.04 -0.58 -0.06 -0.89 0.23 0.00 0.00 176.35 175.09 1bbp s THR 142 N 1.94 0.53 0.00 5.49 2.01 -1.26 -4.72 115.64 119.63 1bbp s THR 142 Ca 0.58 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1bbp s THR 142 Cb -0.27 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1bbp s THR 142 CO 0.25 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 1bbp n GLY 143 N 0.57 2.91 0.26 4.40 0.00 -1.26 -2.15 105.19 109.93 1bbp n GLY 143 Ca -0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 0.54 -0.19 1.61 5.08 -1.99 -2.52 114.58 117.10 1bbp h GLU 144 Ca 0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1bbp h GLU 144 Cb 0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1bbp h GLU 144 CO 0.00 0.61 0.01 0.00 -1.00 0.00 0.00 179.01 178.63 1bbp h ALA 145 N 1.44 0.17 -0.93 3.43 0.00 -1.95 0.15 119.26 121.57 1bbp h ALA 145 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1bbp h ALA 145 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1bbp h ALA 145 CO 0.02 -0.43 0.55 -0.22 0.00 0.00 0.00 179.25 179.18 1bbp h LYS 146 N 0.07 1.26 -0.25 0.00 3.64 -1.01 -0.29 116.57 120.00 1bbp h LYS 146 Ca 0.09 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1bbp h LYS 146 Cb 0.10 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1bbp h LYS 146 CO -0.14 0.89 -0.10 1.15 -2.27 0.00 0.00 179.45 178.98 1bbp h THR 147 N 1.28 1.29 -0.36 1.00 2.02 -1.20 -1.42 112.91 115.52 1bbp h THR 147 Ca 0.33 -1.15 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1bbp h THR 147 Cb -0.05 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1bbp h THR 147 CO -0.06 0.36 0.23 0.00 0.37 0.00 0.00 175.52 176.41 1bbp h ALA 148 N 0.74 0.45 0.01 6.16 0.00 -0.38 -0.65 119.26 125.60 1bbp h ALA 148 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bbp h ALA 148 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1bbp h ALA 148 CO 0.03 -0.11 -0.03 0.28 0.00 0.00 0.00 179.25 179.43 1bbp h VAL 149 N 0.46 0.93 -0.42 0.00 2.07 -0.96 -0.97 116.25 117.37 1bbp h VAL 149 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 1bbp h VAL 149 Cb -0.03 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 1bbp h VAL 149 CO -0.04 0.00 -0.21 -0.33 0.02 0.00 0.00 177.57 177.01 1bbp h GLU 150 N -0.06 -0.12 -0.54 1.57 5.08 -0.80 -0.41 114.58 119.31 1bbp h GLU 150 Ca 0.01 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1bbp h GLU 150 Cb 0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1bbp h GLU 150 CO -0.02 -0.08 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.94 1bbp h ASN 151 N -0.13 0.98 -0.30 1.42 -0.26 -1.02 -2.14 115.58 114.13 1bbp h ASN 151 Ca 0.20 -0.33 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 1bbp h ASN 151 Cb 0.44 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1bbp h ASN 151 CO -0.50 1.08 0.15 0.22 -1.06 0.00 0.00 177.43 177.32 1bbp h TYR 152 N 0.86 0.44 -0.75 1.19 5.03 -0.43 -2.28 116.97 121.02 1bbp h TYR 152 Ca 0.14 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.51 1bbp h TYR 152 Cb 0.61 -0.14 -0.05 0.00 1.55 0.00 0.00 36.73 38.70 1bbp h TYR 152 CO 0.04 0.39 0.49 -0.07 -1.32 0.00 0.00 178.16 177.69 1bbp h LEU 153 N 0.36 0.65 -0.36 2.82 4.07 -0.92 0.33 115.31 122.26 1bbp h LEU 153 Ca 0.10 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 1bbp h LEU 153 Cb 0.11 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1bbp h LEU 153 CO -0.01 0.41 -0.60 0.16 -1.08 0.00 0.00 178.44 177.32 1bbp h ILE 154 N 0.74 1.14 0.00 1.22 3.07 -0.83 -3.19 117.51 119.66 1bbp h ILE 154 Ca 0.33 -2.30 -0.06 0.00 1.55 0.00 0.00 64.86 64.39 1bbp h ILE 154 Cb 0.33 2.35 -0.01 0.00 -0.27 0.00 0.00 36.82 39.23 1bbp h ILE 154 CO -0.12 0.59 -1.12 1.23 -1.05 0.00 0.00 178.15 177.68 1bbp h GLY 155 N 2.77 0.00 -5.44 0.16 0.00 -0.98 -3.49 103.07 96.09 1bbp h GLY 155 Ca -0.01 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1bbp h GLY 155 CO 0.08 0.00 0.72 -1.26 0.00 0.00 0.00 176.54 176.07 1bbp n SER 156 N -2.76 2.48 0.15 0.19 2.88 0.04 -4.90 113.62 111.70 1bbp n SER 156 Ca -0.03 1.08 0.13 0.00 -1.33 0.00 0.00 58.87 58.72 1bbp n SER 156 Cb 0.65 -1.29 0.46 0.00 -0.75 0.00 0.00 64.21 63.28 1bbp n SER 156 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bbp h PRO 157 N 5.99 0.00 0.00 -1.46 0.13 -1.93 -3.40 132.00 131.34 1bbp h PRO 157 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 1bbp h PRO 157 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1bbp h PRO 157 CO 0.86 0.00 -1.55 0.28 -0.23 0.00 0.00 178.00 177.36 1bbp n VAL 158 N -2.47 1.08 -2.76 1.56 0.31 -1.26 -4.96 118.33 109.83 1bbp n VAL 158 Ca 0.03 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 1bbp n VAL 158 Cb 0.34 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 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 -2.39 4.77 -0.46 2.52 1.01 -1.26 -5.01 120.40 119.58 1bbp s VAL 159 Ca -0.22 1.87 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 1bbp s VAL 159 Cb 0.07 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1bbp s VAL 159 CO 0.29 -0.08 0.55 -0.62 0.00 0.00 0.00 175.10 175.25 1bbp s ASP 161 N 1.19 6.23 0.47 3.32 3.68 -1.26 -4.72 116.67 125.58 1bbp s ASP 161 Ca 0.42 -0.76 0.32 0.00 2.13 0.00 0.00 52.55 54.66 1bbp s ASP 161 Cb -0.16 -2.27 1.67 0.00 -1.45 0.00 0.00 42.92 40.71 1bbp s ASP 161 CO 0.10 -0.76 1.97 0.77 0.13 0.00 0.00 175.17 177.39 1bbp h SER 162 N 8.87 0.00 0.89 -0.34 4.64 -1.95 0.18 113.55 125.84 1bbp h SER 162 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1bbp h SER 162 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1bbp h SER 162 CO 0.89 0.00 -0.13 1.67 -0.87 0.00 0.00 176.83 178.40 1bbp n GLN 163 N -2.65 0.01 -0.12 4.77 -0.06 -1.26 -2.47 117.38 115.60 1bbp n GLN 163 Ca -0.02 0.01 0.12 0.00 -2.00 0.00 0.00 57.00 55.11 1bbp n GLN 163 Cb 0.09 -1.51 0.19 0.00 -4.06 0.00 0.00 30.24 24.95 1bbp n GLN 163 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1bbp n LYS 164 N -1.53 2.42 -2.64 3.69 5.02 0.61 -4.90 118.16 120.84 1bbp n LYS 164 Ca 0.07 -2.11 -0.40 0.00 -2.02 0.00 0.00 58.31 53.85 1bbp n LYS 164 Cb 0.34 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.68 4.55 -0.16 -0.35 1.43 -1.03 -4.42 118.68 117.01 1bbp s LEU 165 Ca 0.35 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1bbp s LEU 165 Cb 0.22 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1bbp s LEU 165 CO 0.31 -0.02 -0.16 -0.69 0.23 0.00 0.00 176.35 176.02 1bbp s VAL 166 N -1.25 2.50 0.17 -1.59 1.01 0.32 -4.91 120.40 116.65 1bbp s VAL 166 Ca 0.44 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1bbp s VAL 166 Cb -0.27 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.98 1bbp s VAL 166 CO 0.34 0.52 0.62 -0.31 0.00 0.00 0.00 175.10 176.27 1bbp s TYR 167 N 0.95 3.63 0.67 5.22 1.51 -1.26 -1.11 117.35 126.96 1bbp s TYR 167 Ca -0.03 1.20 -0.11 0.00 -1.01 0.00 0.00 57.07 57.12 1bbp s TYR 167 Cb -0.15 -2.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.22 1bbp s TYR 167 CO -0.03 0.40 1.05 -1.12 -1.11 0.00 0.00 175.55 174.75 1bbp s SER 168 N -1.66 5.75 -0.44 2.29 0.01 0.36 -4.95 113.70 115.07 1bbp s SER 168 Ca 0.39 1.42 -0.17 0.00 1.31 0.00 0.00 55.95 58.90 1bbp s SER 168 Cb -0.16 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.75 1bbp s SER 168 CO 0.20 -1.18 0.44 -0.62 0.41 0.00 0.00 173.24 172.48 1bbp s ASP 169 N -4.09 6.18 -0.34 2.44 3.68 -1.26 -4.91 116.67 118.37 1bbp s ASP 169 Ca 0.57 -0.86 0.09 0.00 2.13 0.00 0.00 52.55 54.48 1bbp s ASP 169 Cb -0.12 -2.22 0.65 0.00 -1.45 0.00 0.00 42.92 39.78 1bbp s ASP 169 CO 0.54 -0.62 1.72 0.49 0.13 0.00 0.00 175.17 177.43 1bbp n PHE 170 N 5.55 2.16 -1.41 -5.34 3.72 -1.26 -1.65 117.46 119.23 1bbp n PHE 170 Ca -0.09 -1.44 -0.36 0.00 -0.05 0.00 0.00 57.45 55.52 1bbp n PHE 170 Cb 0.46 -0.68 0.08 0.00 -0.94 0.00 0.00 39.48 38.40 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 -0.69 0.39 -0.11 4.37 7.64 -1.26 -4.78 113.62 119.18 1bbp n SER 171 Ca 0.42 0.69 -0.08 0.00 1.01 0.00 0.00 58.87 60.91 1bbp n SER 171 Cb 1.34 -1.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 1bbp n SER 171 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1bbp h GLU 172 N -0.11 0.48 -0.88 1.43 3.07 -1.97 0.14 114.58 116.75 1bbp h GLU 172 Ca -0.47 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.34 1bbp h GLU 172 Cb 1.34 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1bbp h GLU 172 CO 0.47 0.32 0.47 0.00 -1.40 0.00 0.00 179.01 178.87 1bbp h ALA 173 N 1.13 1.17 -0.64 3.43 0.00 -1.96 0.01 119.26 122.40 1bbp h ALA 173 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1bbp h ALA 173 Cb -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1bbp h ALA 173 CO -0.03 0.66 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1bbp h ALA 174 N 1.28 1.03 0.00 0.00 0.00 -1.72 -3.15 119.26 116.70 1bbp h ALA 174 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bbp h ALA 174 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1bbp h ALA 174 CO -0.05 0.63 -0.67 0.00 0.00 0.00 0.00 179.25 179.16 1bbp s LYS 176 N -3.07 3.77 -0.20 0.00 2.20 -0.06 -4.98 119.74 117.40 1bbp s LYS 176 Ca 0.08 2.41 -0.06 0.00 -0.36 0.00 0.00 55.97 58.04 1bbp s LYS 176 Cb 0.16 -4.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 1bbp s LYS 176 CO 0.74 -1.37 0.02 0.08 -0.36 0.00 0.00 175.35 174.45 1bbp s VAL 177 N 5.86 4.14 -0.10 4.02 1.01 -1.26 -3.86 120.40 130.21 1bbp s VAL 177 Ca 0.93 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1bbp s VAL 177 Cb -0.39 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1bbp s VAL 177 CO 0.39 0.42 0.52 -0.46 0.00 0.00 0.00 175.10 175.98