#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 4.45 -0.00 2.41 1.01 -1.26 -5.02 120.40 121.99 1bbp s VAL 3 Ca 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 61.98 60.33 1bbp s VAL 3 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1bbp s VAL 3 CO 0.00 -0.74 0.08 -0.31 0.00 0.00 0.00 175.10 174.12 1bbp s TYR 4 N 1.43 3.28 0.06 5.22 2.02 -1.26 -1.20 117.35 126.90 1bbp s TYR 4 Ca 0.05 0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.96 1bbp s TYR 4 Cb -0.26 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1bbp s TYR 4 CO 0.01 0.55 -0.06 -1.01 -1.57 0.00 0.00 175.55 173.46 1bbp s HIS 5 N -1.19 0.72 0.32 2.71 3.76 -0.03 -5.00 115.29 116.58 1bbp s HIS 5 Ca 0.23 -0.73 -0.21 0.00 -0.15 0.00 0.00 55.06 54.20 1bbp s HIS 5 Cb -0.12 -0.43 -0.10 0.00 1.11 0.00 0.00 32.58 33.04 1bbp s HIS 5 CO 0.14 -0.15 0.85 0.34 -0.85 0.00 0.00 174.74 175.07 1bbp s ASP 6 N -2.30 7.06 0.00 1.40 3.68 -1.26 -1.14 116.67 124.11 1bbp s ASP 6 Ca 0.00 1.59 0.00 0.00 2.13 0.00 0.00 52.55 56.27 1bbp s ASP 6 Cb -0.02 -2.49 0.00 0.00 -1.45 0.00 0.00 42.92 38.96 1bbp s ASP 6 CO -0.03 -0.14 0.00 0.61 0.13 0.00 0.00 175.17 175.74 1bbp n GLY 7 N 0.14 -3.37 3.91 2.66 0.00 -0.24 -4.76 105.19 103.53 1bbp n GLY 7 Ca 0.02 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.34 2.82 0.31 4.61 0.00 -1.26 -2.89 121.76 124.01 1bbp s ALA 8 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1bbp s ALA 8 Cb 0.00 -2.87 -0.11 0.00 0.00 0.00 0.00 23.12 20.14 1bbp s ALA 8 CO 0.00 -1.50 1.49 0.00 0.00 0.00 0.00 175.76 175.75 1bbp s PRO 10 N -1.10 3.23 -0.40 0.00 0.04 -1.26 -4.98 135.00 130.53 1bbp s PRO 10 Ca 0.57 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1bbp s PRO 10 Cb -0.45 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.10 1bbp s PRO 10 CO 0.52 -0.90 0.92 -1.21 0.04 0.00 0.00 177.00 176.37 1bbp s GLU 11 N -3.89 3.74 0.17 4.56 2.02 -1.26 -5.01 118.70 119.04 1bbp s GLU 11 Ca 0.66 0.44 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1bbp s GLU 11 Cb -0.18 -3.84 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 1bbp s GLU 11 CO 0.35 -1.04 0.35 0.14 0.02 0.00 0.00 175.26 175.08 1bbp s VAL 12 N 3.57 5.25 -0.45 2.63 -7.23 -1.26 -5.07 120.40 117.84 1bbp s VAL 12 Ca 0.38 -0.46 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 1bbp s VAL 12 Cb -0.11 -3.73 0.11 0.00 0.56 0.00 0.00 36.38 33.21 1bbp s VAL 12 CO 0.21 -0.12 0.29 -0.75 -0.31 0.00 0.00 175.10 174.42 1bbp s LYS 13 N -3.23 2.39 1.15 4.82 2.20 -1.26 -5.09 119.74 120.71 1bbp s LYS 13 Ca 0.37 -1.72 -0.17 0.00 -0.36 0.00 0.00 55.97 54.09 1bbp s LYS 13 Cb -0.11 -3.81 0.26 0.00 -1.51 0.00 0.00 37.83 32.66 1bbp s LYS 13 CO 0.29 -1.12 1.11 -1.25 -0.36 0.00 0.00 175.35 174.02 1bbp s PRO 14 N 1.32 -0.78 0.37 4.03 0.04 -1.26 -4.78 135.00 133.93 1bbp s PRO 14 Ca 0.06 0.06 -0.24 0.00 0.04 0.00 0.00 61.00 60.92 1bbp s PRO 14 Cb -0.25 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1bbp s PRO 14 CO -0.01 -3.45 0.96 0.14 0.04 0.00 0.00 177.00 174.68 1bbp s VAL 15 N -3.02 4.20 -0.57 -0.36 -7.23 -0.38 -4.83 120.40 108.21 1bbp s VAL 15 Ca 0.70 1.65 0.12 0.00 -1.81 0.00 0.00 61.98 62.64 1bbp s VAL 15 Cb -0.12 -3.83 0.37 0.00 0.56 0.00 0.00 36.38 33.36 1bbp s VAL 15 CO 0.56 -0.02 1.30 -0.90 -0.31 0.00 0.00 175.10 175.72 1bbp n ASP 16 N 0.09 3.20 -0.79 4.85 3.85 -1.26 0.28 116.55 126.76 1bbp n ASP 16 Ca 0.04 -2.40 0.04 0.00 -0.71 0.00 0.00 54.79 51.75 1bbp n ASP 16 Cb 0.51 -0.34 0.06 0.00 -1.35 0.00 0.00 41.12 40.00 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 0.02 0.92 -4.71 -1.12 6.94 -0.88 -4.61 115.26 111.82 1bbp n ASN 17 Ca 0.15 -2.42 -0.43 0.00 -0.02 0.00 0.00 54.58 51.86 1bbp n ASN 17 Cb 0.59 -0.31 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1bbp n ASN 17 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1bbp n PHE 18 N -0.19 2.45 -3.53 -2.53 -0.00 0.11 -4.95 117.46 108.81 1bbp n PHE 18 Ca 0.07 0.40 -0.41 0.00 -0.00 0.00 0.00 57.45 57.51 1bbp n PHE 18 Cb 0.84 -2.50 -0.09 0.00 -0.00 0.00 0.00 39.48 37.74 1bbp n PHE 18 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1bbp s ASP 19 N 0.22 5.78 0.57 -2.13 2.15 -1.26 -4.06 116.67 117.94 1bbp s ASP 19 Ca 0.64 -1.57 0.30 0.00 0.43 0.00 0.00 52.55 52.35 1bbp s ASP 19 Cb -0.58 -2.04 1.74 0.00 -0.30 0.00 0.00 42.92 41.74 1bbp s ASP 19 CO 0.53 -0.61 2.20 -0.25 -0.17 0.00 0.00 175.17 176.87 1bbp h TRP 20 N 8.51 0.00 0.00 -5.34 2.91 -1.93 -2.43 115.95 117.68 1bbp h TRP 20 Ca -0.24 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.78 1bbp h TRP 20 Cb 1.09 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 1bbp h TRP 20 CO 0.63 0.04 0.00 -1.13 -1.03 0.00 0.00 178.44 176.95 1bbp n SER 21 N -3.73 0.34 -0.92 2.65 3.41 -1.26 -1.86 113.62 112.25 1bbp n SER 21 Ca -0.03 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1bbp n SER 21 Cb 0.13 -0.64 0.18 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.85 2.85 -4.07 4.04 5.15 -0.91 -4.70 115.26 115.77 1bbp n ASN 22 Ca 0.04 -1.93 -0.43 0.00 -0.60 0.00 0.00 54.58 51.67 1bbp n ASN 22 Cb 0.28 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 1.20 3.87 -3.59 1.20 -0.00 -0.77 -4.81 117.16 114.26 1bbp n TYR 23 Ca 0.16 -2.95 -0.11 0.00 -0.00 0.00 0.00 57.90 55.00 1bbp n TYR 23 Cb 0.56 -2.38 -0.03 0.00 -0.00 0.00 0.00 39.34 37.49 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 2.54 -0.31 0.00 2.98 -3.43 -1.26 -4.70 115.29 111.11 1bbp s HIS 24 Ca 0.46 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.75 1bbp s HIS 24 Cb 0.08 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1bbp s HIS 24 CO -0.01 -0.84 0.00 0.41 -2.00 0.00 0.00 174.74 172.29 1bbp n GLY 25 N -0.33 -1.80 3.40 -1.38 0.00 0.15 -4.83 105.19 100.40 1bbp n GLY 25 Ca -0.14 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 3.47 -0.30 1.61 2.20 -1.26 -0.65 119.74 124.81 1bbp s LYS 26 Ca 0.00 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1bbp s LYS 26 Cb 0.00 -3.28 0.08 0.00 -1.51 0.00 0.00 37.83 33.12 1bbp s LYS 26 CO 0.00 -0.25 0.00 -1.58 -0.36 0.00 0.00 175.35 173.16 1bbp s TRP 27 N 1.57 3.23 0.35 4.03 0.52 -0.47 -4.45 118.94 123.71 1bbp s TRP 27 Ca 0.05 -2.53 -0.28 0.00 0.02 0.00 0.00 56.10 53.37 1bbp s TRP 27 Cb -0.15 -2.36 -0.10 0.00 -1.15 0.00 0.00 33.47 29.70 1bbp s TRP 27 CO 0.02 -0.90 1.28 -1.58 0.02 0.00 0.00 176.95 175.79 1bbp s TRP 28 N 1.10 3.03 -1.24 -1.98 0.52 0.14 -0.50 118.94 120.01 1bbp s TRP 28 Ca 0.04 1.44 -0.19 0.00 0.02 0.00 0.00 56.10 57.41 1bbp s TRP 28 Cb -0.19 -3.63 0.07 0.00 -1.15 0.00 0.00 33.47 28.57 1bbp s TRP 28 CO -0.09 -1.79 1.66 -2.00 0.02 0.00 0.00 176.95 174.75 1bbp s GLU 29 N -1.91 3.92 0.27 4.98 2.12 0.36 -2.17 118.70 126.27 1bbp s GLU 29 Ca 0.51 -1.89 0.01 0.00 0.36 0.00 0.00 54.97 53.96 1bbp s GLU 29 Cb -0.38 -5.47 0.39 0.00 0.26 0.00 0.00 34.13 28.93 1bbp s GLU 29 CO 0.50 -2.21 1.74 0.28 -0.54 0.00 0.00 175.26 175.03 1bbp h VAL 30 N 5.72 1.25 -3.40 3.70 2.07 -1.45 -3.37 116.25 120.77 1bbp h VAL 30 Ca 0.39 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1bbp h VAL 30 Cb 0.90 1.17 -0.15 0.00 -1.52 0.00 0.00 31.29 31.69 1bbp h VAL 30 CO 1.43 0.38 -0.19 0.00 0.02 0.00 0.00 177.57 179.22 1bbp s ALA 31 N -4.68 -0.73 0.24 1.67 0.00 -1.04 -0.41 121.76 116.80 1bbp s ALA 31 Ca -0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1bbp s ALA 31 Cb 0.14 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1bbp s ALA 31 CO 0.80 -0.52 0.48 -1.59 0.00 0.00 0.00 175.76 174.92 1bbp s LYS 32 N -3.26 1.53 0.08 0.00 -2.85 -0.62 -0.25 119.74 114.36 1bbp s LYS 32 Ca -0.00 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 53.45 1bbp s LYS 32 Cb 0.01 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 1bbp s LYS 32 CO -0.08 -0.64 0.92 0.71 0.10 0.00 0.00 175.35 176.36 1bbp s TYR 33 N -4.01 3.78 0.51 1.78 4.12 -0.57 0.30 117.35 123.26 1bbp s TYR 33 Ca 0.22 1.72 -0.22 0.00 0.02 0.00 0.00 57.07 58.80 1bbp s TYR 33 Cb -0.01 -3.01 -0.07 0.00 -1.52 0.00 0.00 41.96 37.36 1bbp s TYR 33 CO 0.08 0.20 1.15 -2.30 0.02 0.00 0.00 175.55 174.71 1bbp n PRO 34 N 2.90 1.43 -3.99 -1.71 -0.02 -1.26 -4.65 135.00 127.69 1bbp n PRO 34 Ca 0.02 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 1bbp n PRO 34 Cb 0.50 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.91 0.15 0.31 2.55 2.20 -1.26 -3.37 114.94 114.61 1bbp s ASN 35 Ca 0.69 -0.90 0.08 0.00 -0.94 0.00 0.00 52.86 51.79 1bbp s ASN 35 Cb -0.46 0.37 0.51 0.00 -2.00 0.00 0.00 41.25 39.66 1bbp s ASN 35 CO 0.52 -0.80 1.72 0.28 -2.94 0.00 0.00 177.10 175.88 1bbp h SER 36 N 2.71 0.18 1.00 3.54 0.02 -1.99 -3.10 113.55 115.90 1bbp h SER 36 Ca -0.33 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.40 1bbp h SER 36 Cb 1.21 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1bbp h SER 36 CO 0.54 0.58 -0.69 1.62 -1.14 0.00 0.00 176.83 177.73 1bbp h VAL 37 N 0.15 1.32 -0.67 2.27 3.04 -2.02 -3.12 116.25 117.22 1bbp h VAL 37 Ca 0.01 -2.53 0.00 0.00 -1.01 0.00 0.00 66.70 63.17 1bbp h VAL 37 Cb 0.79 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1bbp h VAL 37 CO 0.06 0.68 0.00 -0.62 -1.01 0.00 0.00 177.57 176.68 1bbp n GLU 38 N -3.45 3.52 -1.81 4.17 1.02 -1.22 -4.95 120.64 117.91 1bbp n GLU 38 Ca 0.00 -2.85 -0.41 0.00 -0.02 0.00 0.00 57.16 53.88 1bbp n GLU 38 Cb 0.75 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1bbp n GLU 38 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1bbp s LYS 39 N -1.65 4.14 0.00 3.49 -2.85 -1.17 -1.71 119.74 119.98 1bbp s LYS 39 Ca 0.51 2.54 0.00 0.00 -1.00 0.00 0.00 55.97 58.02 1bbp s LYS 39 Cb 0.31 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 1bbp s LYS 39 CO 0.27 -0.60 0.00 0.66 0.10 0.00 0.00 175.35 175.78 1bbp n TYR 40 N 2.18 0.00 -2.52 1.78 4.01 -1.26 -4.98 117.16 116.36 1bbp n TYR 40 Ca 0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 1bbp n TYR 40 Cb 0.38 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.36 3.03 0.35 2.72 0.00 -0.70 -4.75 107.32 106.61 1bbp s GLY 41 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 44.72 45.62 1bbp s GLY 41 CO 0.00 1.41 -0.02 0.54 0.00 0.00 0.00 173.10 175.03 1bbp s LYS 42 N -1.54 1.78 -1.37 2.90 1.02 -0.02 -4.89 119.74 117.62 1bbp s LYS 42 Ca 0.46 -1.96 -0.04 0.00 0.02 0.00 0.00 55.97 54.45 1bbp s LYS 42 Cb -0.30 -1.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 1bbp s LYS 42 CO 0.38 -0.01 0.77 0.00 -0.92 0.00 0.00 175.35 175.57 1bbp s GLY 44 N -4.07 2.44 0.16 0.00 0.00 -1.26 -4.30 107.32 100.28 1bbp s GLY 44 Ca 0.18 0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.96 1bbp s GLY 44 CO 0.82 0.38 0.22 0.66 0.00 0.00 0.00 173.10 175.18 1bbp s TRP 45 N -1.85 0.59 0.07 1.90 -2.14 0.09 -0.49 118.94 117.11 1bbp s TRP 45 Ca 0.51 -0.94 0.08 0.00 2.66 0.00 0.00 56.10 58.41 1bbp s TRP 45 Cb -0.12 -0.20 -0.03 0.00 -3.10 0.00 0.00 33.47 30.01 1bbp s TRP 45 CO 0.18 -0.68 -0.18 0.00 -2.66 0.00 0.00 176.95 173.61 1bbp s ALA 46 N -4.01 2.61 -0.18 2.67 0.00 0.34 -0.67 121.76 122.53 1bbp s ALA 46 Ca 0.21 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1bbp s ALA 46 Cb 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1bbp s ALA 46 CO 0.02 0.58 -0.11 -2.00 0.00 0.00 0.00 175.76 174.25 1bbp s GLU 47 N -1.68 2.06 -0.44 0.00 2.12 0.11 -1.37 118.70 119.50 1bbp s GLU 47 Ca 0.16 -0.69 -0.13 0.00 0.36 0.00 0.00 54.97 54.67 1bbp s GLU 47 Cb -0.10 -2.24 0.06 0.00 0.26 0.00 0.00 34.13 32.11 1bbp s GLU 47 CO 0.07 -0.36 0.31 0.71 -0.54 0.00 0.00 175.26 175.46 1bbp s TYR 48 N 1.46 3.28 -0.39 5.30 2.02 0.18 -0.80 117.35 128.40 1bbp s TYR 48 Ca 0.01 -1.11 -0.16 0.00 -0.37 0.00 0.00 57.07 55.44 1bbp s TYR 48 Cb -0.15 -2.95 0.01 0.00 -0.40 0.00 0.00 41.96 38.47 1bbp s TYR 48 CO -0.09 -0.78 0.37 0.99 -1.57 0.00 0.00 175.55 174.47 1bbp s THR 49 N 1.56 5.16 0.05 -0.71 2.01 0.20 -0.68 115.64 123.24 1bbp s THR 49 Ca 0.03 -0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 1bbp s THR 49 Cb -0.23 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 1bbp s THR 49 CO 0.05 -0.26 1.34 -2.16 -0.69 0.00 0.00 174.62 172.91 1bbp s PRO 50 N 1.98 4.33 -0.21 4.92 0.04 -1.26 -0.50 135.00 144.30 1bbp s PRO 50 Ca 0.10 1.94 0.12 0.00 0.04 0.00 0.00 61.00 63.20 1bbp s PRO 50 Cb -0.17 -3.42 0.43 0.00 0.04 0.00 0.00 34.50 31.38 1bbp s PRO 50 CO 0.12 -0.46 1.21 0.39 0.04 0.00 0.00 177.00 178.30 1bbp n GLU 51 N 4.60 1.83 0.00 4.56 1.02 0.72 -4.93 120.64 128.44 1bbp n GLU 51 Ca 0.12 -3.36 0.00 0.00 -0.02 0.00 0.00 57.16 53.90 1bbp n GLU 51 Cb 0.44 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.88 2.00 0.34 0.62 0.00 -1.26 -4.04 105.19 101.97 1bbp n GLY 52 Ca 0.22 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1bbp n GLY 52 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bbp h LYS 53 N 0.00 0.83 -5.34 1.61 3.64 -1.98 -3.45 116.57 111.88 1bbp h LYS 53 Ca 0.00 -0.05 -0.60 0.00 -1.27 0.00 0.00 60.65 58.73 1bbp h LYS 53 Cb 0.00 -0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 31.50 1bbp h LYS 53 CO 0.00 0.55 -0.56 -1.12 -2.27 0.00 0.00 179.45 176.04 1bbp s SER 54 N -6.37 3.50 0.00 4.20 0.01 -1.26 -4.63 113.70 109.15 1bbp s SER 54 Ca -0.10 -1.51 0.02 0.00 1.31 0.00 0.00 55.95 55.67 1bbp s SER 54 Cb 0.18 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 1bbp s SER 54 CO 0.77 -0.68 -0.06 -0.69 0.41 0.00 0.00 173.24 172.99 1bbp s VAL 55 N -2.95 0.46 -0.08 3.43 1.01 -0.25 -0.20 120.40 121.82 1bbp s VAL 55 Ca 0.24 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 1bbp s VAL 55 Cb 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1bbp s VAL 55 CO 0.12 0.05 0.67 -0.54 0.00 0.00 0.00 175.10 175.40 1bbp s LYS 56 N -0.35 4.42 -0.17 2.72 1.02 0.34 -1.60 119.74 126.12 1bbp s LYS 56 Ca 0.00 0.81 -0.07 0.00 0.02 0.00 0.00 55.97 56.74 1bbp s LYS 56 Cb -0.03 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1bbp s LYS 56 CO -0.00 0.07 0.05 0.08 -0.92 0.00 0.00 175.35 174.63 1bbp s VAL 57 N 0.81 4.71 -0.15 3.17 1.01 -0.42 -0.63 120.40 128.90 1bbp s VAL 57 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1bbp s VAL 57 Cb -0.17 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1bbp s VAL 57 CO 0.17 0.49 -0.03 -0.44 0.00 0.00 0.00 175.10 175.28 1bbp s SER 58 N 0.15 2.53 -0.19 3.32 0.01 0.02 -0.70 113.70 118.84 1bbp s SER 58 Ca 0.04 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 1bbp s SER 58 Cb -0.12 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 1bbp s SER 58 CO 0.01 -0.20 0.04 0.20 0.41 0.00 0.00 173.24 173.70 1bbp s ASN 59 N 1.74 5.36 0.20 2.44 0.02 -0.34 0.04 114.94 124.40 1bbp s ASN 59 Ca 0.02 -0.01 0.07 0.00 -1.02 0.00 0.00 52.86 51.92 1bbp s ASN 59 Cb -0.15 -1.92 -0.05 0.00 0.02 0.00 0.00 41.25 39.16 1bbp s ASN 59 CO -0.07 0.14 -0.13 -0.31 0.02 0.00 0.00 177.10 176.75 1bbp s TYR 60 N 0.56 1.66 0.30 2.20 2.02 0.16 -1.67 117.35 122.58 1bbp s TYR 60 Ca 0.02 -0.61 -0.16 0.00 -0.37 0.00 0.00 57.07 55.95 1bbp s TYR 60 Cb -0.13 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.66 1bbp s TYR 60 CO 0.02 0.31 0.65 -3.38 -1.57 0.00 0.00 175.55 171.57 1bbp s HIS 61 N -3.03 0.16 -0.11 2.71 -3.43 -0.92 -0.73 115.29 109.94 1bbp s HIS 61 Ca 0.22 -0.62 0.02 0.00 -0.80 0.00 0.00 55.06 53.87 1bbp s HIS 61 Cb 0.00 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1bbp s HIS 61 CO 0.06 -1.24 -0.15 0.08 -2.00 0.00 0.00 174.74 171.49 1bbp s VAL 62 N -3.47 1.46 -0.24 -5.38 1.01 -0.02 -1.41 120.40 112.35 1bbp s VAL 62 Ca 0.17 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1bbp s VAL 62 Cb -0.04 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 35.06 1bbp s VAL 62 CO 0.10 0.43 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 1bbp s ILE 63 N 1.00 1.82 -1.30 2.22 1.01 0.18 -0.84 121.20 125.30 1bbp s ILE 63 Ca -0.06 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.18 1bbp s ILE 63 Cb -0.15 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 1bbp s ILE 63 CO -0.02 -0.01 0.60 1.41 0.00 0.00 0.00 174.94 176.93 1bbp n HIS 64 N 4.58 -1.80 -0.82 3.97 8.25 -1.26 -1.80 115.22 126.34 1bbp n HIS 64 Ca -0.14 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1bbp n HIS 64 Cb 0.44 -3.82 0.00 0.00 1.12 0.00 0.00 29.99 27.73 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 -1.78 1.18 3.51 -1.41 0.00 -1.23 -4.97 105.19 100.48 1bbp n GLY 65 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.07 2.81 -0.13 1.61 2.20 -0.74 -1.34 119.74 124.08 1bbp s LYS 66 Ca 0.00 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1bbp s LYS 66 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1bbp s LYS 66 CO 0.00 0.56 -0.01 -2.00 -0.36 0.00 0.00 175.35 173.53 1bbp s GLU 67 N -0.53 3.41 0.13 4.03 2.12 -1.26 -0.64 118.70 125.95 1bbp s GLU 67 Ca 0.08 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 55.03 1bbp s GLU 67 Cb -0.12 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1bbp s GLU 67 CO 0.02 0.43 -0.20 0.71 -0.54 0.00 0.00 175.26 175.68 1bbp s TYR 68 N -0.15 1.82 0.14 5.30 1.51 -0.50 -5.00 117.35 120.48 1bbp s TYR 68 Ca 0.04 -0.44 -0.25 0.00 -1.01 0.00 0.00 57.07 55.42 1bbp s TYR 68 Cb -0.13 -0.96 0.07 0.00 -0.11 0.00 0.00 41.96 40.83 1bbp s TYR 68 CO 0.02 0.26 0.81 -0.59 -1.11 0.00 0.00 175.55 174.94 1bbp s PHE 69 N -1.50 -0.29 0.06 2.71 -0.71 -1.26 -2.16 117.98 114.83 1bbp s PHE 69 Ca 0.10 0.01 0.03 0.00 -1.04 0.00 0.00 56.93 56.03 1bbp s PHE 69 Cb -0.08 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 1bbp s PHE 69 CO 0.05 -0.85 -0.09 -1.50 -1.34 0.00 0.00 175.22 171.50 1bbp s ILE 70 N -3.48 0.69 0.02 -4.49 2.07 -0.67 -4.99 121.20 110.35 1bbp s ILE 70 Ca 0.08 -1.32 0.06 0.00 -1.41 0.00 0.00 60.65 58.06 1bbp s ILE 70 Cb -0.02 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 1bbp s ILE 70 CO -0.03 -0.46 -0.18 -1.61 -1.91 0.00 0.00 174.94 170.75 1bbp s GLU 71 N -2.12 1.31 0.00 3.50 2.02 -1.26 -1.20 118.70 120.96 1bbp s GLU 71 Ca -0.03 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1bbp s GLU 71 Cb -0.07 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1bbp s GLU 71 CO -0.00 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1bbp n GLY 72 N 2.21 3.41 3.18 -1.39 0.00 0.12 -4.78 105.19 107.94 1bbp n GLY 72 Ca -0.16 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.53 -0.02 0.05 2.61 2.01 -1.03 -1.31 115.64 115.42 1bbp s THR 73 Ca 0.00 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.15 1bbp s THR 73 Cb 0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1bbp s THR 73 CO 0.00 0.03 -0.22 0.00 -0.69 0.00 0.00 174.62 173.74 1bbp s ALA 74 N 0.88 1.83 -0.07 7.40 0.00 -0.63 -0.00 121.76 131.18 1bbp s ALA 74 Ca -0.06 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1bbp s ALA 74 Cb -0.07 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.76 1bbp s ALA 74 CO -0.06 0.41 0.68 1.52 0.00 0.00 0.00 175.76 178.31 1bbp s TYR 75 N -0.81 -0.67 0.56 0.00 -0.85 -0.83 -1.09 117.35 113.65 1bbp s TYR 75 Ca 0.08 1.19 -0.21 0.00 -0.52 0.00 0.00 57.07 57.61 1bbp s TYR 75 Cb -0.09 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 1bbp s TYR 75 CO 0.02 -0.58 1.36 -2.14 -1.52 0.00 0.00 175.55 172.69 1bbp s PRO 76 N -1.04 3.08 0.19 -3.49 0.02 -1.26 -0.62 135.00 131.88 1bbp s PRO 76 Ca -0.10 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.19 1bbp s PRO 76 Cb -0.01 -2.23 0.10 0.00 0.02 0.00 0.00 34.50 32.39 1bbp s PRO 76 CO 0.09 -1.24 1.45 0.28 -0.33 0.00 0.00 177.00 177.26 1bbp h VAL 77 N 1.38 1.43 0.00 3.83 2.07 -1.62 -3.43 116.25 119.91 1bbp h VAL 77 Ca -0.51 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1bbp h VAL 77 Cb 1.30 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1bbp h VAL 77 CO 0.57 0.68 0.00 0.61 0.02 0.00 0.00 177.57 179.44 1bbp n GLY 78 N 0.59 2.20 3.73 2.17 0.00 -1.26 -5.03 105.19 107.58 1bbp n GLY 78 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 1.38 7.13 0.30 1.61 3.68 -1.26 -4.91 116.67 124.59 1bbp s ASP 79 Ca 0.00 2.09 0.05 0.00 2.13 0.00 0.00 52.55 56.83 1bbp s ASP 79 Cb 0.00 -2.59 0.77 0.00 -1.45 0.00 0.00 42.92 39.65 1bbp s ASP 79 CO 0.00 -0.38 1.70 0.28 0.13 0.00 0.00 175.17 176.91 1bbp h SER 80 N 5.92 0.41 0.75 -0.34 0.02 -1.95 0.31 113.55 118.67 1bbp h SER 80 Ca -0.43 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1bbp h SER 80 Cb 1.21 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1bbp h SER 80 CO 0.77 0.02 0.00 0.11 -1.14 0.00 0.00 176.83 176.59 1bbp h LYS 84 N 0.44 0.00 -5.51 3.45 1.57 -1.91 -3.41 116.57 111.20 1bbp h LYS 84 Ca 0.58 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.77 1bbp h LYS 84 Cb 1.11 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.32 1bbp h LYS 84 CO -0.52 0.00 -0.24 0.42 -0.57 0.00 0.00 179.45 178.54 1bbp s ILE 85 N -3.71 5.24 0.00 1.86 1.01 0.10 0.04 121.20 125.73 1bbp s ILE 85 Ca 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 1bbp s ILE 85 Cb 0.10 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 1bbp s ILE 85 CO 0.49 0.32 2.03 0.61 0.00 0.00 0.00 174.94 178.38 1bbp n GLY 86 N 3.57 2.09 3.14 6.18 0.00 0.14 -4.71 105.19 115.60 1bbp n GLY 86 Ca -0.09 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 1.31 3.01 -0.04 1.61 1.02 -1.26 -0.03 119.74 125.36 1bbp s LYS 87 Ca 0.26 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.46 1bbp s LYS 87 Cb 0.12 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1bbp s LYS 87 CO 0.00 -0.15 -0.19 0.42 -0.92 0.00 0.00 175.35 174.52 1bbp s ILE 88 N 1.14 1.53 0.14 2.17 1.01 -0.28 -1.63 121.20 125.28 1bbp s ILE 88 Ca 0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 1bbp s ILE 88 Cb -0.14 -1.30 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1bbp s ILE 88 CO -0.09 0.44 1.05 -0.31 0.00 0.00 0.00 174.94 176.02 1bbp s TYR 89 N -0.11 3.68 -0.34 3.97 2.02 0.21 -0.24 117.35 126.55 1bbp s TYR 89 Ca -0.01 1.67 -0.01 0.00 -0.37 0.00 0.00 57.07 58.35 1bbp s TYR 89 Cb -0.11 -3.19 0.07 0.00 -0.40 0.00 0.00 41.96 38.34 1bbp s TYR 89 CO 0.02 -0.29 0.06 -1.01 -1.57 0.00 0.00 175.55 172.76 1bbp s HIS 90 N -0.05 3.42 -0.44 2.71 3.76 0.03 -1.97 115.29 122.75 1bbp s HIS 90 Ca 0.49 -2.17 -0.19 0.00 -0.15 0.00 0.00 55.06 53.03 1bbp s HIS 90 Cb -0.27 -2.53 0.03 0.00 1.11 0.00 0.00 32.58 30.92 1bbp s HIS 90 CO 0.32 -0.87 0.58 0.21 -0.85 0.00 0.00 174.74 174.13 1bbp s LYS 91 N 1.18 3.20 0.06 1.40 2.20 0.99 -1.32 119.74 127.44 1bbp s LYS 91 Ca 0.00 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1bbp s LYS 91 Cb -0.21 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 1bbp s LYS 91 CO -0.03 -0.99 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.40 1bbp s LEU 92 N 2.58 2.36 -0.20 5.43 1.43 -0.54 -2.47 118.68 127.27 1bbp s LEU 92 Ca 0.18 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1bbp s LEU 92 Cb -0.16 -0.05 -0.00 0.00 0.03 0.00 0.00 46.19 46.01 1bbp s LEU 92 CO 0.16 -0.35 -0.10 0.42 0.23 0.00 0.00 176.35 176.72 1bbp s THR 93 N -2.38 2.97 -0.04 5.49 -4.23 -1.26 -0.68 115.64 115.52 1bbp s THR 93 Ca -0.02 -0.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1bbp s THR 93 Cb -0.03 -2.32 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 1bbp s THR 93 CO -0.03 0.47 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.05 1bbp s TYR 94 N 1.29 1.63 -0.85 3.99 1.51 -0.08 -4.77 117.35 120.07 1bbp s TYR 94 Ca 0.03 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1bbp s TYR 94 Cb -0.14 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1bbp s TYR 94 CO -0.05 -0.15 0.11 0.41 -1.11 0.00 0.00 175.55 174.75 1bbp n GLY 95 N 3.14 -0.01 2.26 0.71 0.00 -1.26 -1.89 105.19 108.14 1bbp n GLY 95 Ca -0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.05 1.00 2.78 -0.02 0.00 -1.26 -4.98 105.19 101.65 1bbp n GLY 96 Ca -0.10 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.35 0.45 -0.20 1.61 1.01 -0.79 -5.11 120.40 115.01 1bbp s VAL 97 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1bbp s VAL 97 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1bbp s VAL 97 CO 0.00 0.25 0.65 -0.89 0.00 0.00 0.00 175.10 175.10 1bbp s THR 98 N 1.94 5.01 0.39 3.92 2.01 -1.26 -0.90 115.64 126.75 1bbp s THR 98 Ca 0.05 1.22 0.08 0.00 0.31 0.00 0.00 61.69 63.34 1bbp s THR 98 Cb -0.13 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1bbp s THR 98 CO -0.06 0.10 0.09 -0.54 -0.69 0.00 0.00 174.62 173.52 1bbp s LYS 99 N 1.98 2.12 -0.51 4.92 1.02 0.15 -4.95 119.74 124.47 1bbp s LYS 99 Ca 0.29 -1.88 -0.02 0.00 0.02 0.00 0.00 55.97 54.39 1bbp s LYS 99 Cb -0.16 -1.89 0.13 0.00 -0.52 0.00 0.00 37.83 35.40 1bbp s LYS 99 CO 0.10 -0.02 0.30 -1.21 -0.92 0.00 0.00 175.35 173.60 1bbp s GLU 100 N -3.80 2.22 -0.05 1.68 2.02 -1.26 -1.47 118.70 118.04 1bbp s GLU 100 Ca 0.38 -2.20 -0.16 0.00 0.02 0.00 0.00 54.97 53.01 1bbp s GLU 100 Cb 0.04 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 1bbp s GLU 100 CO 0.20 -1.11 0.42 -0.80 0.02 0.00 0.00 175.26 173.99 1bbp s ASN 101 N 1.11 6.75 -0.25 -0.19 0.01 -0.44 -4.81 114.94 117.12 1bbp s ASN 101 Ca 0.13 0.89 -0.21 0.00 -0.71 0.00 0.00 52.86 52.96 1bbp s ASN 101 Cb -0.22 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1bbp s ASN 101 CO -0.04 0.21 0.68 -0.69 -1.51 0.00 0.00 177.10 175.75 1bbp s VAL 102 N -0.45 4.95 -0.23 1.60 1.01 -1.26 -0.79 120.40 125.23 1bbp s VAL 102 Ca 0.24 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 1bbp s VAL 102 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1bbp s VAL 102 CO 0.12 0.01 0.21 0.12 0.00 0.00 0.00 175.10 175.56 1bbp s PHE 103 N 2.52 3.33 -0.23 5.22 5.36 0.67 -4.43 117.98 130.43 1bbp s PHE 103 Ca 0.28 0.31 -0.08 0.00 -0.96 0.00 0.00 56.93 56.48 1bbp s PHE 103 Cb -0.15 -2.32 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1bbp s PHE 103 CO 0.08 0.06 0.10 -0.80 -1.46 0.00 0.00 175.22 173.20 1bbp s ASN 104 N 1.03 5.54 -0.47 6.13 0.01 0.37 -1.12 114.94 126.42 1bbp s ASN 104 Ca 0.10 -0.05 -0.22 0.00 -0.71 0.00 0.00 52.86 51.99 1bbp s ASN 104 Cb -0.14 -1.99 0.03 0.00 0.41 0.00 0.00 41.25 39.57 1bbp s ASN 104 CO 0.05 0.04 0.73 -0.69 -1.51 0.00 0.00 177.10 175.72 1bbp s VAL 105 N 1.16 4.72 -0.04 1.60 1.01 0.96 -0.80 120.40 129.00 1bbp s VAL 105 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1bbp s VAL 105 Cb -0.14 -4.31 -0.26 0.00 0.00 0.00 0.00 36.38 31.66 1bbp s VAL 105 CO 0.04 -0.76 0.70 -0.07 0.00 0.00 0.00 175.10 175.01 1bbp h LEU 106 N 10.03 0.31 -7.37 3.92 3.38 -1.11 -1.00 115.31 123.46 1bbp h LEU 106 Ca -0.26 -0.53 -0.15 0.00 0.09 0.00 0.00 57.88 57.03 1bbp h LEU 106 Cb 1.09 -0.10 -0.26 0.00 0.09 0.00 0.00 40.66 41.48 1bbp h LEU 106 CO 0.96 1.46 -0.36 -0.55 0.09 0.00 0.00 178.44 180.03 1bbp s SER 107 N -6.81 -0.34 0.09 -0.43 0.15 -1.18 -4.57 113.70 100.61 1bbp s SER 107 Ca -0.11 0.65 -0.20 0.00 0.70 0.00 0.00 55.95 56.99 1bbp s SER 107 Cb 0.07 0.63 0.05 0.00 -1.71 0.00 0.00 66.02 65.05 1bbp s SER 107 CO 0.83 -0.13 0.49 0.28 1.20 0.00 0.00 173.24 175.91 1bbp s THR 108 N 0.50 0.04 -1.78 6.45 -1.32 -1.26 -0.77 115.64 117.50 1bbp s THR 108 Ca -0.03 -0.31 0.16 0.00 -1.21 0.00 0.00 61.69 60.31 1bbp s THR 108 Cb -0.04 -1.04 0.26 0.00 -1.51 0.00 0.00 72.50 70.16 1bbp s THR 108 CO -0.03 -0.17 1.16 -0.90 -2.21 0.00 0.00 174.62 172.47 1bbp n ASP 109 N 0.06 2.76 -2.16 8.08 5.75 -1.18 -4.96 116.55 124.90 1bbp n ASP 109 Ca -0.17 -1.81 -0.17 0.00 -0.01 0.00 0.00 54.79 52.63 1bbp n ASP 109 Cb 0.62 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.95 -4.76 0.11 -1.12 3.02 -1.26 -4.62 115.26 107.59 1bbp n ASN 110 Ca 0.13 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1bbp n ASN 110 Cb 0.45 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.54 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 -2.68 0.00 -0.09 3.52 4.81 -1.26 -4.90 118.16 117.56 1bbp n LYS 111 Ca -0.19 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.11 1bbp n LYS 111 Cb 0.62 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.59 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 -3.15 2.29 -4.37 3.14 5.03 -1.26 -4.83 115.26 112.11 1bbp n ASN 112 Ca 0.00 -0.01 -0.19 0.00 0.87 0.00 0.00 54.58 55.25 1bbp n ASN 112 Cb 0.00 -0.35 -0.10 0.00 -1.02 0.00 0.00 39.78 38.31 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 -2.35 1.71 -0.13 3.10 1.13 -1.26 -1.09 117.35 118.46 1bbp s TYR 113 Ca -0.24 -0.79 -0.06 0.00 -1.41 0.00 0.00 57.07 54.57 1bbp s TYR 113 Cb 0.07 -0.96 0.06 0.00 -1.10 0.00 0.00 41.96 40.03 1bbp s TYR 113 CO 0.39 0.13 0.30 0.42 -2.51 0.00 0.00 175.55 174.28 1bbp s ILE 114 N -3.21 -0.23 -0.22 -3.49 1.01 0.22 -3.10 121.20 112.18 1bbp s ILE 114 Ca 0.27 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 1bbp s ILE 114 Cb 0.04 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 1bbp s ILE 114 CO 0.09 0.08 -0.00 -0.63 0.00 0.00 0.00 174.94 174.48 1bbp s ILE 115 N 1.82 3.75 0.15 2.92 1.01 0.05 -0.55 121.20 130.36 1bbp s ILE 115 Ca -0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1bbp s ILE 115 Cb -0.11 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1bbp s ILE 115 CO -0.10 0.40 -0.12 -0.83 0.00 0.00 0.00 174.94 174.29 1bbp s GLY 116 N 1.41 1.14 -0.08 6.18 0.00 -0.54 -0.53 107.32 114.89 1bbp s GLY 116 Ca 0.05 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 1bbp s GLY 116 CO -0.00 -1.56 0.19 -0.47 0.00 0.00 0.00 173.10 171.26 1bbp s TYR 117 N -2.93 -0.23 -0.04 1.90 5.04 0.02 -1.86 117.35 119.26 1bbp s TYR 117 Ca 0.16 0.60 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1bbp s TYR 117 Cb -0.00 -0.03 -0.00 0.00 0.35 0.00 0.00 41.96 42.28 1bbp s TYR 117 CO 0.02 -0.19 -0.15 -0.47 -1.34 0.00 0.00 175.55 173.43 1bbp s TYR 118 N 1.15 1.48 -0.20 4.97 5.04 -0.49 -0.48 117.35 128.83 1bbp s TYR 118 Ca -0.09 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.16 1bbp s TYR 118 Cb -0.11 -1.00 0.03 0.00 0.35 0.00 0.00 41.96 41.23 1bbp s TYR 118 CO -0.07 -0.14 -0.18 0.00 -1.34 0.00 0.00 175.55 173.83 1bbp s LYS 120 N 1.26 3.08 -0.11 0.00 2.20 0.06 -4.93 119.74 121.30 1bbp s LYS 120 Ca 0.02 -0.87 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 1bbp s LYS 120 Cb -0.14 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1bbp s LYS 120 CO -0.11 -0.92 0.56 -0.47 -0.36 0.00 0.00 175.35 174.04 1bbp s TYR 121 N 2.12 3.52 -0.44 4.03 5.04 -1.26 -0.05 117.35 130.31 1bbp s TYR 121 Ca 0.11 1.00 -0.18 0.00 -2.44 0.00 0.00 57.07 55.56 1bbp s TYR 121 Cb -0.18 -2.65 0.03 0.00 0.35 0.00 0.00 41.96 39.51 1bbp s TYR 121 CO 0.12 0.12 0.50 0.34 -1.34 0.00 0.00 175.55 175.29 1bbp s ASP 122 N 0.72 6.22 0.12 4.32 2.15 0.16 -4.94 116.67 125.42 1bbp s ASP 122 Ca 0.30 -0.68 -0.13 0.00 0.43 0.00 0.00 52.55 52.47 1bbp s ASP 122 Cb -0.16 -2.25 -0.06 0.00 -0.30 0.00 0.00 42.92 40.15 1bbp s ASP 122 CO 0.13 -0.66 1.45 -0.33 -0.17 0.00 0.00 175.17 175.58 1bbp h GLU 123 N 8.79 0.84 -0.65 4.34 5.08 -1.97 -0.51 114.58 130.51 1bbp h GLU 123 Ca -0.26 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.58 1bbp h GLU 123 Cb 1.11 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1bbp h GLU 123 CO 0.84 1.09 0.16 -0.44 -1.00 0.00 0.00 179.01 179.66 1bbp h ASP 124 N 0.63 0.96 -0.38 1.42 3.45 -1.96 -3.14 116.42 117.40 1bbp h ASP 124 Ca 0.05 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1bbp h ASP 124 Cb 0.95 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1bbp h ASP 124 CO 0.09 0.92 0.00 0.29 -1.57 0.00 0.00 179.24 178.97 1bbp n LYS 125 N -4.25 2.36 -4.14 3.56 5.02 -1.16 -4.96 118.16 114.60 1bbp n LYS 125 Ca 0.05 -2.15 -0.28 0.00 -2.02 0.00 0.00 58.31 53.90 1bbp n LYS 125 Cb 0.25 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.21 -2.12 -4.26 1.97 5.02 -0.22 -4.88 118.16 114.88 1bbp n LYS 126 Ca 0.17 0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 56.56 1bbp n LYS 126 Cb 0.53 -4.06 -0.10 0.00 -0.02 0.00 0.00 35.03 31.38 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 -4.37 1.49 0.02 0.72 0.00 -1.09 -1.08 107.32 103.01 1bbp s GLY 127 Ca 0.01 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1bbp s GLY 127 CO 0.94 -1.52 -0.03 -2.38 0.00 0.00 0.00 173.10 170.11 1bbp s HIS 128 N -3.83 0.27 -0.12 1.90 -3.43 -0.29 0.37 115.29 110.16 1bbp s HIS 128 Ca 0.33 -0.49 -0.06 0.00 -0.80 0.00 0.00 55.06 54.04 1bbp s HIS 128 Cb 0.07 -0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1bbp s HIS 128 CO 0.10 -0.17 0.11 -1.14 -2.00 0.00 0.00 174.74 171.64 1bbp s GLN 129 N -1.37 3.45 -0.16 -0.38 0.74 0.93 -0.85 119.66 122.02 1bbp s GLN 129 Ca -0.15 -0.21 -0.10 0.00 0.05 0.00 0.00 55.36 54.96 1bbp s GLN 129 Cb -0.09 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 1bbp s GLN 129 CO -0.01 0.69 0.18 -0.51 -0.55 0.00 0.00 175.29 175.09 1bbp s ASP 130 N -0.79 6.34 -0.17 6.67 -0.00 -0.34 -0.76 116.67 127.62 1bbp s ASP 130 Ca 0.13 0.40 0.01 0.00 -0.00 0.00 0.00 52.55 53.09 1bbp s ASP 130 Cb -0.12 -2.11 0.02 0.00 -0.00 0.00 0.00 42.92 40.71 1bbp s ASP 130 CO 0.03 0.25 -0.20 -0.36 -0.00 0.00 0.00 175.17 174.89 1bbp s PHE 131 N -0.14 2.76 -0.04 4.23 0.40 0.32 -4.40 117.98 121.11 1bbp s PHE 131 Ca 0.13 -1.56 0.04 0.00 -0.60 0.00 0.00 56.93 54.93 1bbp s PHE 131 Cb -0.12 -1.90 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 1bbp s PHE 131 CO 0.02 -0.76 -0.15 0.08 0.70 0.00 0.00 175.22 175.11 1bbp s VAL 132 N 1.19 1.27 -0.01 -0.44 1.01 -1.26 -1.39 120.40 120.76 1bbp s VAL 132 Ca 0.02 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1bbp s VAL 132 Cb -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1bbp s VAL 132 CO -0.10 0.37 -0.17 0.26 0.00 0.00 0.00 175.10 175.46 1bbp s TRP 133 N 0.08 1.53 -0.32 5.22 0.51 -0.78 -1.52 118.94 123.67 1bbp s TRP 133 Ca -0.04 -0.30 -0.06 0.00 -2.12 0.00 0.00 56.10 53.59 1bbp s TRP 133 Cb -0.11 -0.99 0.03 0.00 -0.81 0.00 0.00 33.47 31.59 1bbp s TRP 133 CO 0.02 -0.03 0.08 0.08 -0.51 0.00 0.00 176.95 176.58 1bbp s VAL 134 N -0.37 3.70 0.02 4.03 1.01 0.65 -1.47 120.40 127.97 1bbp s VAL 134 Ca 0.06 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1bbp s VAL 134 Cb -0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1bbp s VAL 134 CO -0.00 -0.07 -0.22 -0.76 0.00 0.00 0.00 175.10 174.04 1bbp s LEU 135 N 1.41 2.36 -0.05 3.92 1.43 0.29 -1.19 118.68 126.84 1bbp s LEU 135 Ca -0.01 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.41 1bbp s LEU 135 Cb -0.19 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.68 1bbp s LEU 135 CO 0.02 0.28 0.46 -0.55 0.23 0.00 0.00 176.35 176.78 1bbp s SER 136 N -1.17 -0.39 0.00 2.29 0.15 -0.92 -0.61 113.70 113.04 1bbp s SER 136 Ca 0.12 0.43 0.28 0.00 0.70 0.00 0.00 55.95 57.48 1bbp s SER 136 Cb -0.10 0.49 1.39 0.00 -1.71 0.00 0.00 66.02 66.08 1bbp s SER 136 CO 0.03 -0.46 1.95 0.54 1.20 0.00 0.00 173.24 176.50 1bbp n ARG 137 N 1.38 0.35 -4.27 5.44 1.74 -0.25 0.29 116.66 121.34 1bbp n ARG 137 Ca -0.20 0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.69 1bbp n ARG 137 Cb 0.56 -1.50 -0.12 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 -2.62 2.23 0.42 0.55 1.04 -1.26 -4.78 113.70 109.28 1bbp s SER 138 Ca 0.25 -0.65 0.21 0.00 0.48 0.00 0.00 55.95 56.24 1bbp s SER 138 Cb 0.19 -0.11 0.91 0.00 0.10 0.00 0.00 66.02 67.10 1bbp s SER 138 CO 0.44 0.02 1.84 0.11 0.98 0.00 0.00 173.24 176.63 1bbp h LYS 139 N 4.21 0.00 -5.06 4.02 1.57 -1.95 -3.41 116.57 115.95 1bbp h LYS 139 Ca -0.44 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.72 1bbp h LYS 139 Cb 1.18 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.16 1bbp h LYS 139 CO 0.40 0.29 -0.86 0.08 -0.57 0.00 0.00 179.45 178.79 1bbp s VAL 140 N -3.84 1.73 -0.09 0.50 1.01 -1.26 -4.86 120.40 113.58 1bbp s VAL 140 Ca -0.01 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1bbp s VAL 140 Cb 0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1bbp s VAL 140 CO 0.66 0.49 1.23 -0.76 0.00 0.00 0.00 175.10 176.72 1bbp s LEU 141 N 0.45 4.25 0.07 3.92 1.43 -1.26 -5.01 118.68 122.52 1bbp s LEU 141 Ca -0.17 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1bbp s LEU 141 Cb -0.17 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1bbp s LEU 141 CO 0.07 -0.65 -0.07 -0.89 0.23 0.00 0.00 176.35 175.04 1bbp s THR 142 N 2.69 0.56 0.00 5.49 2.01 -1.26 -4.64 115.64 120.48 1bbp s THR 142 Ca 0.56 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1bbp s THR 142 Cb -0.24 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1bbp s THR 142 CO 0.20 -0.68 0.00 0.61 -0.69 0.00 0.00 174.62 174.05 1bbp n GLY 143 N 0.63 1.41 0.32 4.40 0.00 -1.26 -3.02 105.19 107.66 1bbp n GLY 143 Ca -0.17 -0.64 0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -0.18 1.61 5.08 -1.99 -2.48 114.58 116.62 1bbp h GLU 144 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1bbp h GLU 144 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bbp h GLU 144 CO 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 179.01 177.34 1bbp h ALA 145 N 1.86 0.48 -0.13 3.43 0.00 -1.95 -1.61 119.26 121.35 1bbp h ALA 145 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1bbp h ALA 145 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bbp h ALA 145 CO -0.00 0.70 0.05 -0.22 0.00 0.00 0.00 179.25 179.77 1bbp h LYS 146 N 0.50 0.11 -0.61 0.00 1.63 -1.44 -0.09 116.57 116.67 1bbp h LYS 146 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1bbp h LYS 146 Cb 1.26 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.84 1bbp h LYS 146 CO 0.13 0.07 0.29 1.15 -3.45 0.00 0.00 179.45 177.65 1bbp h THR 147 N 0.11 1.20 0.03 1.00 2.02 -1.43 -2.03 112.91 113.81 1bbp h THR 147 Ca 0.05 -0.55 -0.27 0.00 0.77 0.00 0.00 66.41 66.42 1bbp h THR 147 Cb 0.03 0.42 0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1bbp h THR 147 CO -0.06 0.23 -1.08 0.00 0.37 0.00 0.00 175.52 174.98 1bbp h ALA 148 N 1.47 0.15 -0.54 6.16 0.00 -0.79 -1.18 119.26 124.53 1bbp h ALA 148 Ca 0.21 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1bbp h ALA 148 Cb 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1bbp h ALA 148 CO -0.03 0.73 0.07 0.28 0.00 0.00 0.00 179.25 180.30 1bbp h VAL 149 N 0.32 1.26 0.25 0.00 2.07 -0.95 -2.36 116.25 116.83 1bbp h VAL 149 Ca -0.13 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1bbp h VAL 149 Cb 1.74 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1bbp h VAL 149 CO 0.20 0.36 -0.12 -0.33 0.02 0.00 0.00 177.57 177.70 1bbp h GLU 150 N 0.80 -0.32 0.00 1.57 5.08 -1.32 -1.45 114.58 118.93 1bbp h GLU 150 Ca 0.16 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1bbp h GLU 150 Cb 0.43 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1bbp h GLU 150 CO 0.01 -0.16 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.69 1bbp h ASN 151 N -0.40 0.00 0.17 1.42 -0.26 -1.21 -0.71 115.58 114.58 1bbp h ASN 151 Ca -0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1bbp h ASN 151 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1bbp h ASN 151 CO 0.06 0.26 -0.08 0.22 -1.06 0.00 0.00 177.43 176.82 1bbp h TYR 152 N 0.00 -0.22 -0.12 1.19 5.03 -1.34 -2.53 116.97 118.98 1bbp h TYR 152 Ca -0.00 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.32 1bbp h TYR 152 Cb 0.48 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1bbp h TYR 152 CO 0.00 0.07 0.08 -0.07 -1.32 0.00 0.00 178.16 176.93 1bbp h LEU 153 N -0.50 0.08 -0.06 2.82 4.07 -0.49 0.13 115.31 121.36 1bbp h LEU 153 Ca -0.02 -0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.68 1bbp h LEU 153 Cb 0.38 -0.02 0.02 0.00 1.08 0.00 0.00 40.66 42.12 1bbp h LEU 153 CO 0.04 0.06 -0.96 0.40 -1.08 0.00 0.00 178.44 176.89 1bbp h ILE 154 N 0.09 1.28 0.00 1.22 2.04 -1.12 -3.26 117.51 117.77 1bbp h ILE 154 Ca 0.05 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.74 1bbp h ILE 154 Cb 0.10 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1bbp h ILE 154 CO -0.01 0.68 -0.53 0.61 0.00 0.00 0.00 178.15 178.90 1bbp n GLY 155 N 0.96 -1.32 3.71 5.37 0.00 -0.38 -4.92 105.19 108.61 1bbp n GLY 155 Ca -0.10 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1bbp n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bbp s SER 156 N -3.45 6.67 0.45 1.61 0.15 0.32 -4.91 113.70 114.54 1bbp s SER 156 Ca 0.09 2.46 0.25 0.00 0.70 0.00 0.00 55.95 59.46 1bbp s SER 156 Cb 0.16 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.75 1bbp s SER 156 CO 0.70 -0.80 1.79 1.55 1.20 0.00 0.00 173.24 177.69 1bbp h PRO 157 N 7.36 0.00 0.00 5.44 0.13 -1.91 -3.38 132.00 139.64 1bbp h PRO 157 Ca -0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 1bbp h PRO 157 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1bbp h PRO 157 CO 0.91 0.16 -1.03 0.28 -0.23 0.00 0.00 178.00 178.09 1bbp n VAL 158 N -3.25 1.48 -3.04 1.56 0.31 -1.26 -4.92 118.33 109.22 1bbp n VAL 158 Ca 0.01 0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 1bbp n VAL 158 Cb 0.44 -2.19 -0.05 0.00 -0.91 0.00 0.00 33.84 31.14 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 -2.35 4.88 -0.37 2.52 1.01 -1.26 -5.04 120.40 119.79 1bbp s VAL 159 Ca -0.24 1.51 -0.14 0.00 0.00 0.00 0.00 61.98 63.11 1bbp s VAL 159 Cb 0.05 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1bbp s VAL 159 CO 0.42 0.33 0.29 -0.62 0.00 0.00 0.00 175.10 175.52 1bbp s ASP 161 N 0.26 6.10 0.35 3.32 3.68 -1.26 -4.74 116.67 124.38 1bbp s ASP 161 Ca 0.37 -0.60 0.26 0.00 2.13 0.00 0.00 52.55 54.72 1bbp s ASP 161 Cb -0.19 -2.16 1.19 0.00 -1.45 0.00 0.00 42.92 40.31 1bbp s ASP 161 CO 0.20 -0.35 1.79 0.77 0.13 0.00 0.00 175.17 177.72 1bbp h SER 162 N 8.55 0.00 0.36 -0.34 4.64 -1.96 -0.50 113.55 124.30 1bbp h SER 162 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1bbp h SER 162 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1bbp h SER 162 CO 0.68 0.00 -0.05 1.67 -0.87 0.00 0.00 176.83 178.27 1bbp n GLN 163 N -2.45 0.68 0.00 4.77 -0.06 -1.26 -2.89 117.38 116.17 1bbp n GLN 163 Ca 0.01 -0.13 0.08 0.00 -2.00 0.00 0.00 57.00 54.96 1bbp n GLN 163 Cb 0.19 -1.50 0.04 0.00 -4.06 0.00 0.00 30.24 24.92 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 -1.05 1.49 -2.29 3.69 5.02 -0.20 -4.94 118.16 119.89 1bbp n LYS 164 Ca 0.16 -1.26 -0.41 0.00 -2.02 0.00 0.00 58.31 54.78 1bbp n LYS 164 Cb 0.24 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.66 4.44 -0.19 -0.35 1.43 -1.14 -4.44 118.68 116.77 1bbp s LEU 165 Ca 0.18 2.36 -0.02 0.00 -1.03 0.00 0.00 54.13 55.62 1bbp s LEU 165 Cb 0.14 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1bbp s LEU 165 CO 0.29 -0.43 -0.11 -0.69 0.23 0.00 0.00 176.35 175.63 1bbp s VAL 166 N -0.21 2.87 0.17 -1.59 1.01 0.15 -4.93 120.40 117.87 1bbp s VAL 166 Ca 0.53 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1bbp s VAL 166 Cb -0.35 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 1bbp s VAL 166 CO 0.39 0.48 0.94 -0.31 0.00 0.00 0.00 175.10 176.61 1bbp s TYR 167 N 1.23 3.89 0.63 5.22 1.51 -1.26 -1.59 117.35 126.98 1bbp s TYR 167 Ca 0.03 1.84 -0.14 0.00 -1.01 0.00 0.00 57.07 57.79 1bbp s TYR 167 Cb -0.14 -3.01 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 1bbp s TYR 167 CO -0.05 0.33 1.06 -1.12 -1.11 0.00 0.00 175.55 174.67 1bbp s SER 168 N -0.57 5.60 -0.30 2.29 0.01 0.45 -4.96 113.70 116.21 1bbp s SER 168 Ca 0.44 1.79 -0.15 0.00 1.31 0.00 0.00 55.95 59.34 1bbp s SER 168 Cb -0.24 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 1bbp s SER 168 CO 0.31 -1.29 0.39 -0.62 0.41 0.00 0.00 173.24 172.43 1bbp s ASP 169 N -2.99 6.24 -0.24 2.44 3.68 -1.26 -4.96 116.67 119.59 1bbp s ASP 169 Ca 0.63 0.10 0.12 0.00 2.13 0.00 0.00 52.55 55.53 1bbp s ASP 169 Cb -0.16 -2.21 0.47 0.00 -1.45 0.00 0.00 42.92 39.57 1bbp s ASP 169 CO 0.42 -0.27 1.38 0.49 0.13 0.00 0.00 175.17 177.32 1bbp n PHE 170 N 5.40 0.76 -2.33 -5.34 3.72 -1.26 -1.76 117.46 116.65 1bbp n PHE 170 Ca -0.08 -1.37 -0.36 0.00 -0.05 0.00 0.00 57.45 55.58 1bbp n PHE 170 Cb 0.50 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1bbp n PHE 170 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1bbp s SER 171 N -2.57 6.19 0.32 4.37 1.04 -1.26 -4.80 113.70 117.00 1bbp s SER 171 Ca 0.42 2.20 0.09 0.00 0.48 0.00 0.00 55.95 59.14 1bbp s SER 171 Cb 0.37 -2.59 0.96 0.00 0.10 0.00 0.00 66.02 64.86 1bbp s SER 171 CO 0.01 -0.90 1.61 -0.33 0.98 0.00 0.00 173.24 174.61 1bbp h GLU 172 N 1.90 0.11 -0.42 4.02 3.07 -1.96 0.37 114.58 121.67 1bbp h GLU 172 Ca -0.49 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.25 1bbp h GLU 172 Cb 1.24 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1bbp h GLU 172 CO 0.60 0.08 -0.19 0.00 -1.40 0.00 0.00 179.01 178.09 1bbp h ALA 173 N 1.91 0.58 0.00 3.43 0.00 -1.96 -1.10 119.26 122.12 1bbp h ALA 173 Ca 0.68 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1bbp h ALA 173 Cb 1.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1bbp h ALA 173 CO -0.75 0.54 -0.57 0.00 0.00 0.00 0.00 179.25 178.47 1bbp h ALA 174 N 0.83 1.05 -0.01 0.00 0.00 -1.42 -3.06 119.26 116.65 1bbp h ALA 174 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1bbp h ALA 174 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1bbp h ALA 174 CO 0.06 0.71 -0.39 0.00 0.00 0.00 0.00 179.25 179.63 1bbp s LYS 176 N -2.59 3.94 -0.08 0.00 2.20 -0.43 -5.00 119.74 117.77 1bbp s LYS 176 Ca 0.20 1.94 0.03 0.00 -0.36 0.00 0.00 55.97 57.78 1bbp s LYS 176 Cb 0.19 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1bbp s LYS 176 CO 0.58 -1.13 -0.16 0.08 -0.36 0.00 0.00 175.35 174.36 1bbp s VAL 177 N 4.85 2.88 0.00 4.02 1.01 -1.26 -3.57 120.40 128.32 1bbp s VAL 177 Ca 0.74 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1bbp s VAL 177 Cb -0.30 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1bbp s VAL 177 CO 0.30 0.56 0.45 -0.46 0.00 0.00 0.00 175.10 175.95