#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 2.89 -0.03 2.41 1.01 -1.26 -5.01 120.40 120.41 1bbp s VAL 3 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1bbp s VAL 3 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1bbp s VAL 3 CO 0.00 -0.04 -0.14 -0.31 0.00 0.00 0.00 175.10 174.60 1bbp s TYR 4 N 1.25 2.69 0.04 5.22 2.02 -1.26 -0.80 117.35 126.52 1bbp s TYR 4 Ca -0.05 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1bbp s TYR 4 Cb -0.19 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1bbp s TYR 4 CO -0.02 0.22 -0.02 -1.01 -1.57 0.00 0.00 175.55 173.15 1bbp s HIS 5 N -0.79 0.44 0.55 2.71 3.76 0.45 -5.00 115.29 117.40 1bbp s HIS 5 Ca 0.13 -0.91 -0.16 0.00 -0.15 0.00 0.00 55.06 53.96 1bbp s HIS 5 Cb -0.11 -0.33 -0.06 0.00 1.11 0.00 0.00 32.58 33.20 1bbp s HIS 5 CO 0.02 -0.34 1.02 0.34 -0.85 0.00 0.00 174.74 174.92 1bbp s ASP 6 N -2.57 6.28 0.00 1.40 3.68 -1.26 -0.18 116.67 124.01 1bbp s ASP 6 Ca 0.02 1.66 0.00 0.00 2.13 0.00 0.00 52.55 56.35 1bbp s ASP 6 Cb 0.04 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 1bbp s ASP 6 CO -0.08 -0.83 0.00 0.61 0.13 0.00 0.00 175.17 175.01 1bbp n GLY 7 N -1.40 0.77 3.66 2.66 0.00 -0.42 -4.68 105.19 105.78 1bbp n GLY 7 Ca 0.07 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.39 0.84 0.34 4.61 0.00 -1.26 -3.20 121.76 121.70 1bbp s ALA 8 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 1bbp s ALA 8 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 1bbp s ALA 8 CO 0.00 -2.93 1.31 0.00 0.00 0.00 0.00 175.76 174.15 1bbp s PRO 10 N -1.86 2.99 -0.07 0.00 0.04 -1.26 -4.99 135.00 129.86 1bbp s PRO 10 Ca 0.50 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1bbp s PRO 10 Cb -0.40 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1bbp s PRO 10 CO 0.53 -1.19 1.03 -2.00 0.04 0.00 0.00 177.00 175.41 1bbp s GLU 11 N -3.34 4.44 0.08 4.56 2.12 -1.26 -5.01 118.70 120.29 1bbp s GLU 11 Ca 0.77 1.45 0.09 0.00 0.36 0.00 0.00 54.97 57.64 1bbp s GLU 11 Cb -0.30 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1bbp s GLU 11 CO 0.33 -0.27 -0.25 0.54 -0.54 0.00 0.00 175.26 175.07 1bbp s VAL 12 N 1.79 2.03 -0.37 3.70 0.11 -1.26 -5.06 120.40 121.33 1bbp s VAL 12 Ca 0.50 -1.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.01 1bbp s VAL 12 Cb -0.20 -1.77 0.07 0.00 -1.53 0.00 0.00 36.38 32.95 1bbp s VAL 12 CO 0.21 0.19 0.15 -1.59 -3.33 0.00 0.00 175.10 170.73 1bbp s LYS 13 N -1.57 2.45 0.64 1.54 -2.85 -1.26 -5.10 119.74 113.60 1bbp s LYS 13 Ca 0.11 -1.41 -0.14 0.00 -1.00 0.00 0.00 55.97 53.53 1bbp s LYS 13 Cb -0.10 -3.53 -0.01 0.00 -2.06 0.00 0.00 37.83 32.13 1bbp s LYS 13 CO 0.04 -0.83 1.06 -1.25 0.10 0.00 0.00 175.35 174.47 1bbp s PRO 14 N 1.33 3.10 0.45 1.78 0.05 -1.26 -4.69 135.00 135.76 1bbp s PRO 14 Ca 0.01 1.11 -0.25 0.00 0.05 0.00 0.00 61.00 61.93 1bbp s PRO 14 Cb -0.21 -2.01 -0.08 0.00 0.05 0.00 0.00 34.50 32.25 1bbp s PRO 14 CO 0.00 -0.98 1.37 0.14 0.05 0.00 0.00 177.00 177.59 1bbp s VAL 15 N -2.70 2.27 -0.63 -0.36 -7.23 -0.28 -4.75 120.40 106.73 1bbp s VAL 15 Ca 0.61 0.23 0.15 0.00 -1.81 0.00 0.00 61.98 61.17 1bbp s VAL 15 Cb -0.15 -3.13 0.52 0.00 0.56 0.00 0.00 36.38 34.17 1bbp s VAL 15 CO 0.45 0.03 1.44 -0.90 -0.31 0.00 0.00 175.10 175.80 1bbp n ASP 16 N -0.24 3.90 -0.99 4.85 5.75 -1.25 -0.59 116.55 127.97 1bbp n ASP 16 Ca 0.06 -2.57 0.05 0.00 -0.01 0.00 0.00 54.79 52.31 1bbp n ASP 16 Cb 0.43 -0.46 0.13 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.24 1.40 -4.71 -1.12 6.94 -0.71 -4.43 115.26 112.87 1bbp n ASN 17 Ca 0.20 -3.07 -0.42 0.00 -0.02 0.00 0.00 54.58 51.26 1bbp n ASN 17 Cb 0.77 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 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 -1.82 2.72 -0.69 -2.53 2.19 0.71 -4.96 117.98 113.61 1bbp s PHE 18 Ca 0.36 0.40 -0.17 0.00 0.33 0.00 0.00 56.93 57.86 1bbp s PHE 18 Cb 0.38 -4.00 0.15 0.00 -1.31 0.00 0.00 43.02 38.23 1bbp s PHE 18 CO -0.11 -3.88 0.72 0.34 1.83 0.00 0.00 175.22 174.12 1bbp s ASP 19 N 1.74 6.40 0.54 6.13 3.68 -1.26 -4.30 116.67 129.61 1bbp s ASP 19 Ca 0.73 -1.95 0.23 0.00 2.13 0.00 0.00 52.55 53.69 1bbp s ASP 19 Cb -0.44 -2.27 1.43 0.00 -1.45 0.00 0.00 42.92 40.20 1bbp s ASP 19 CO 0.32 -0.89 2.09 -0.25 0.13 0.00 0.00 175.17 176.57 1bbp h TRP 20 N 8.67 0.00 -0.14 -5.34 2.91 -1.93 -1.13 115.95 118.99 1bbp h TRP 20 Ca -0.13 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.86 1bbp h TRP 20 Cb 1.07 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.71 1bbp h TRP 20 CO 0.91 0.00 -0.05 0.77 -1.03 0.00 0.00 178.44 179.03 1bbp h SER 21 N 0.00 0.18 0.49 2.65 0.02 -1.97 -1.91 113.55 113.02 1bbp h SER 21 Ca 0.11 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1bbp h SER 21 Cb 0.49 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1bbp h SER 21 CO -0.00 0.27 -0.56 -3.20 -1.14 0.00 0.00 176.83 172.20 1bbp n ASN 22 N -4.36 0.55 -3.73 3.07 5.15 -0.44 -4.52 115.26 110.98 1bbp n ASN 22 Ca -0.01 -0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 53.28 1bbp n ASN 22 Cb 0.20 0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 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 -1.56 3.48 -3.56 1.20 -0.00 -0.72 -4.80 117.16 111.21 1bbp n TYR 23 Ca 0.05 -2.97 -0.17 0.00 -0.00 0.00 0.00 57.90 54.82 1bbp n TYR 23 Cb 0.35 -2.51 -0.06 0.00 -0.00 0.00 0.00 39.34 37.11 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 2.98 -0.70 0.00 2.98 -3.43 -1.26 -4.85 115.29 111.01 1bbp s HIS 24 Ca 0.47 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 1bbp s HIS 24 Cb 0.14 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1bbp s HIS 24 CO -0.08 -0.53 0.00 0.41 -2.00 0.00 0.00 174.74 172.53 1bbp n GLY 25 N 1.49 -1.81 3.70 -1.38 0.00 0.45 -4.84 105.19 102.82 1bbp n GLY 25 Ca -0.17 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 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 4.18 -0.13 1.61 2.20 -1.26 -1.67 119.74 124.66 1bbp s LYS 26 Ca 0.00 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1bbp s LYS 26 Cb 0.00 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1bbp s LYS 26 CO 0.00 0.17 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.42 1bbp s TRP 27 N 0.72 2.19 0.43 4.03 0.52 -0.62 -4.60 118.94 121.60 1bbp s TRP 27 Ca 0.12 -1.14 -0.23 0.00 0.02 0.00 0.00 56.10 54.88 1bbp s TRP 27 Cb -0.13 -1.57 -0.09 0.00 -1.15 0.00 0.00 33.47 30.53 1bbp s TRP 27 CO 0.03 -0.59 1.05 -1.58 0.02 0.00 0.00 176.95 175.88 1bbp s TRP 28 N 1.17 3.16 -0.80 -1.98 0.52 0.12 -0.49 118.94 120.64 1bbp s TRP 28 Ca -0.02 1.62 -0.18 0.00 0.02 0.00 0.00 56.10 57.54 1bbp s TRP 28 Cb -0.14 -3.12 0.14 0.00 -1.15 0.00 0.00 33.47 29.20 1bbp s TRP 28 CO -0.06 -0.73 0.93 -1.83 0.02 0.00 0.00 176.95 175.28 1bbp s GLU 29 N -2.75 3.41 0.26 4.98 -1.05 0.29 -1.41 118.70 122.43 1bbp s GLU 29 Ca 0.61 -1.72 -0.02 0.00 -0.15 0.00 0.00 54.97 53.70 1bbp s GLU 29 Cb -0.20 -4.58 0.34 0.00 -0.44 0.00 0.00 34.13 29.24 1bbp s GLU 29 CO 0.25 -1.61 1.76 0.28 0.95 0.00 0.00 175.26 176.89 1bbp h VAL 30 N 5.64 1.24 -3.69 1.83 2.07 -1.31 -3.39 116.25 118.65 1bbp h VAL 30 Ca -0.01 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 1bbp h VAL 30 Cb 1.05 0.88 -0.13 0.00 -1.52 0.00 0.00 31.29 31.57 1bbp h VAL 30 CO 1.04 0.35 -0.26 0.00 0.02 0.00 0.00 177.57 178.72 1bbp s ALA 31 N -4.98 -0.40 0.27 1.67 0.00 -1.04 -1.68 121.76 115.60 1bbp s ALA 31 Ca -0.09 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.21 1bbp s ALA 31 Cb 0.15 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1bbp s ALA 31 CO 0.81 -0.59 0.58 -1.59 0.00 0.00 0.00 175.76 174.98 1bbp s LYS 32 N -3.87 1.67 0.11 0.00 -2.85 -0.31 -0.56 119.74 113.94 1bbp s LYS 32 Ca 0.07 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 53.58 1bbp s LYS 32 Cb 0.03 0.53 -0.06 0.00 -2.06 0.00 0.00 37.83 36.27 1bbp s LYS 32 CO -0.09 -0.73 0.91 0.71 0.10 0.00 0.00 175.35 176.26 1bbp s TYR 33 N -3.90 3.81 0.35 1.78 4.12 -0.21 -0.20 117.35 123.10 1bbp s TYR 33 Ca 0.18 1.74 -0.27 0.00 0.02 0.00 0.00 57.07 58.74 1bbp s TYR 33 Cb -0.03 -2.99 -0.12 0.00 -1.52 0.00 0.00 41.96 37.30 1bbp s TYR 33 CO 0.09 0.25 1.10 -2.30 0.02 0.00 0.00 175.55 174.71 1bbp n PRO 34 N 2.66 1.61 -3.96 -1.71 -0.02 -1.26 -4.66 135.00 127.66 1bbp n PRO 34 Ca 0.01 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1bbp n PRO 34 Cb 0.49 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.54 0.01 0.16 2.55 2.20 -1.26 -3.15 114.94 114.90 1bbp s ASN 35 Ca 0.59 -0.86 0.08 0.00 -0.94 0.00 0.00 52.86 51.73 1bbp s ASN 35 Cb -0.61 0.46 -0.12 0.00 -2.00 0.00 0.00 41.25 38.99 1bbp s ASN 35 CO 0.60 -0.93 1.33 0.28 -2.94 0.00 0.00 177.10 175.44 1bbp h SER 36 N 2.49 0.00 -0.11 3.54 0.02 -1.99 -2.92 113.55 114.57 1bbp h SER 36 Ca -0.31 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.57 1bbp h SER 36 Cb 1.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1bbp h SER 36 CO 0.46 0.90 -0.14 0.58 -1.14 0.00 0.00 176.83 177.49 1bbp h VAL 37 N 0.00 1.23 -0.61 2.27 2.07 -2.01 -3.16 116.25 116.03 1bbp h VAL 37 Ca -0.01 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1bbp h VAL 37 Cb 1.66 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1bbp h VAL 37 CO 0.12 0.33 0.00 -0.62 0.02 0.00 0.00 177.57 177.42 1bbp n GLU 38 N -4.20 2.61 -1.36 1.57 1.02 -1.20 -4.96 120.64 114.12 1bbp n GLU 38 Ca 0.00 -2.48 -0.53 0.00 -0.02 0.00 0.00 57.16 54.13 1bbp n GLU 38 Cb 0.33 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.56 0.00 -0.16 3.49 4.81 -1.11 -1.25 118.16 125.51 1bbp n LYS 39 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1bbp n LYS 39 Cb 0.61 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.46 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 2.88 0.00 -2.17 5.64 0.53 -1.26 -4.99 117.16 117.79 1bbp n TYR 40 Ca 0.23 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.74 1bbp n TYR 40 Cb -0.03 -0.30 0.00 0.00 -1.03 0.00 0.00 39.34 37.98 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 2.77 0.37 2.72 0.00 -0.38 -4.83 107.32 105.96 1bbp s GLY 41 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 44.72 45.74 1bbp s GLY 41 CO 0.00 1.43 0.06 0.54 0.00 0.00 0.00 173.10 175.13 1bbp s LYS 42 N -2.85 1.79 -1.38 2.90 1.02 -0.23 -4.90 119.74 116.08 1bbp s LYS 42 Ca 0.67 -2.03 -0.04 0.00 0.02 0.00 0.00 55.97 54.59 1bbp s LYS 42 Cb -0.30 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1bbp s LYS 42 CO 0.35 -0.23 0.44 0.00 -0.92 0.00 0.00 175.35 174.99 1bbp s GLY 44 N -4.23 1.94 0.18 0.00 0.00 -1.26 -4.37 107.32 99.58 1bbp s GLY 44 Ca 0.08 -0.38 -0.22 0.00 0.00 0.00 0.00 44.72 44.20 1bbp s GLY 44 CO 0.90 -0.24 0.60 0.66 0.00 0.00 0.00 173.10 175.02 1bbp s TRP 45 N -2.17 -0.41 0.23 1.90 -2.14 0.17 -0.55 118.94 115.97 1bbp s TRP 45 Ca 0.47 0.13 0.08 0.00 2.66 0.00 0.00 56.10 59.45 1bbp s TRP 45 Cb -0.11 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.76 1bbp s TRP 45 CO 0.29 -0.91 -0.14 0.00 -2.66 0.00 0.00 176.95 173.53 1bbp s ALA 46 N -3.80 2.18 -0.08 2.67 0.00 0.35 -0.07 121.76 123.01 1bbp s ALA 46 Ca 0.04 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.24 1bbp s ALA 46 Cb -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1bbp s ALA 46 CO -0.08 0.08 0.13 -2.00 0.00 0.00 0.00 175.76 173.89 1bbp s GLU 47 N -3.63 0.01 -0.22 0.00 2.12 0.13 -1.59 118.70 115.50 1bbp s GLU 47 Ca 0.25 0.44 -0.06 0.00 0.36 0.00 0.00 54.97 55.96 1bbp s GLU 47 Cb -0.01 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 1bbp s GLU 47 CO 0.09 -0.36 0.03 0.71 -0.54 0.00 0.00 175.26 175.19 1bbp s TYR 48 N 2.24 3.06 -0.28 5.30 2.02 -0.67 -1.79 117.35 127.24 1bbp s TYR 48 Ca 0.04 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1bbp s TYR 48 Cb -0.12 -2.16 0.08 0.00 -0.40 0.00 0.00 41.96 39.35 1bbp s TYR 48 CO -0.05 -0.31 -0.02 0.99 -1.57 0.00 0.00 175.55 174.59 1bbp s THR 49 N 1.30 1.77 0.29 -0.71 2.01 0.11 -0.41 115.64 120.01 1bbp s THR 49 Ca 0.04 -1.63 -0.29 0.00 0.31 0.00 0.00 61.69 60.13 1bbp s THR 49 Cb -0.15 -2.11 -0.13 0.00 0.01 0.00 0.00 72.50 70.12 1bbp s THR 49 CO 0.02 -0.29 1.21 -2.65 -0.69 0.00 0.00 174.62 172.22 1bbp n PRO 50 N 4.53 1.79 -3.20 4.92 -0.02 -1.26 0.21 135.00 141.97 1bbp n PRO 50 Ca -0.07 0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 61.81 1bbp n PRO 50 Cb 0.43 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1bbp n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bbp n GLU 51 N 0.97 0.79 0.00 -0.52 1.02 0.81 -4.82 120.64 118.90 1bbp n GLU 51 Ca 0.08 -3.28 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 1bbp n GLU 51 Cb 0.33 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 1.32 0.63 0.36 0.62 0.00 -1.26 -3.29 105.19 103.56 1bbp n GLY 52 Ca 0.22 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 8.74 1.41 -3.91 1.61 4.76 -1.26 -4.84 118.16 124.67 1bbp n LYS 53 Ca 0.00 -0.72 -0.23 0.00 -2.87 0.00 0.00 58.31 54.50 1bbp n LYS 53 Cb 0.00 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.65 1bbp n LYS 53 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1bbp s SER 54 N -2.09 4.79 0.00 4.39 0.01 -1.21 -4.51 113.70 115.08 1bbp s SER 54 Ca 0.37 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1bbp s SER 54 Cb 0.21 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 1bbp s SER 54 CO 0.37 -0.49 -0.11 0.54 0.41 0.00 0.00 173.24 173.96 1bbp s VAL 55 N -2.48 0.86 -0.08 3.43 0.11 -0.31 -0.13 120.40 121.80 1bbp s VAL 55 Ca 0.42 -0.58 -0.19 0.00 -2.93 0.00 0.00 61.98 58.71 1bbp s VAL 55 Cb -0.01 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1bbp s VAL 55 CO 0.25 0.16 0.51 -0.75 -3.33 0.00 0.00 175.10 171.94 1bbp s LYS 56 N -0.48 4.31 -0.17 1.54 2.20 0.13 -0.89 119.74 126.39 1bbp s LYS 56 Ca 0.03 0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 56.10 1bbp s LYS 56 Cb -0.05 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1bbp s LYS 56 CO -0.00 0.22 0.08 0.08 -0.36 0.00 0.00 175.35 175.38 1bbp s VAL 57 N 0.37 5.01 -0.09 4.02 1.01 0.55 -0.71 120.40 130.55 1bbp s VAL 57 Ca 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1bbp s VAL 57 Cb -0.16 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.01 1bbp s VAL 57 CO 0.12 0.50 -0.01 -0.44 0.00 0.00 0.00 175.10 175.27 1bbp s SER 58 N 0.01 1.86 -0.16 3.32 0.01 -0.74 -0.50 113.70 117.51 1bbp s SER 58 Ca 0.07 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 1bbp s SER 58 Cb -0.12 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 1bbp s SER 58 CO 0.00 -0.19 -0.06 0.20 0.41 0.00 0.00 173.24 173.61 1bbp s ASN 59 N 1.90 4.54 0.22 2.44 0.02 -0.44 -0.70 114.94 122.92 1bbp s ASN 59 Ca 0.04 -0.22 0.08 0.00 -1.02 0.00 0.00 52.86 51.74 1bbp s ASN 59 Cb -0.13 -1.74 -0.05 0.00 0.02 0.00 0.00 41.25 39.36 1bbp s ASN 59 CO -0.06 0.14 -0.13 -0.31 0.02 0.00 0.00 177.10 176.76 1bbp s TYR 60 N 0.53 1.78 0.33 2.20 2.02 0.90 -1.84 117.35 123.26 1bbp s TYR 60 Ca -0.04 -0.59 -0.15 0.00 -0.37 0.00 0.00 57.07 55.91 1bbp s TYR 60 Cb -0.15 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1bbp s TYR 60 CO 0.03 0.35 0.68 -3.38 -1.57 0.00 0.00 175.55 171.66 1bbp s HIS 61 N -2.97 0.19 -0.07 2.71 -3.43 -0.81 -0.66 115.29 110.25 1bbp s HIS 61 Ca 0.24 -0.69 0.02 0.00 -0.80 0.00 0.00 55.06 53.84 1bbp s HIS 61 Cb 0.00 0.58 0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1bbp s HIS 61 CO 0.08 -1.32 -0.12 0.08 -2.00 0.00 0.00 174.74 171.46 1bbp s VAL 62 N -3.18 1.16 -0.25 -5.38 1.01 0.30 -1.95 120.40 112.11 1bbp s VAL 62 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1bbp s VAL 62 Cb -0.04 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.34 1bbp s VAL 62 CO 0.11 0.36 -0.02 -0.63 0.00 0.00 0.00 175.10 174.92 1bbp s ILE 63 N 0.72 1.41 -1.11 2.22 1.01 0.05 -1.07 121.20 124.43 1bbp s ILE 63 Ca -0.14 -1.27 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 1bbp s ILE 63 Cb -0.16 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1bbp s ILE 63 CO 0.03 -0.22 0.79 1.41 0.00 0.00 0.00 174.94 176.95 1bbp n HIS 64 N 4.70 -1.95 -0.73 3.97 8.25 -1.26 -2.08 115.22 126.11 1bbp n HIS 64 Ca -0.09 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1bbp n HIS 64 Cb 0.44 -3.43 0.00 0.00 1.12 0.00 0.00 29.99 28.12 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 -1.68 0.80 3.52 -1.41 0.00 -1.24 -4.92 105.19 100.26 1bbp n GLY 65 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.31 2.38 -0.18 1.61 2.20 -0.89 -0.83 119.74 123.73 1bbp s LYS 66 Ca 0.00 -0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1bbp s LYS 66 Cb 0.00 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 1bbp s LYS 66 CO 0.00 0.59 0.11 -2.00 -0.36 0.00 0.00 175.35 173.69 1bbp s GLU 67 N -1.26 4.02 0.02 4.03 2.12 -1.26 -0.77 118.70 125.60 1bbp s GLU 67 Ca 0.15 -0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.30 1bbp s GLU 67 Cb -0.11 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1bbp s GLU 67 CO 0.05 0.37 -0.18 0.71 -0.54 0.00 0.00 175.26 175.67 1bbp s TYR 68 N 0.14 1.60 0.18 5.30 1.51 -0.83 -5.02 117.35 120.24 1bbp s TYR 68 Ca 0.08 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 1bbp s TYR 68 Cb -0.11 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1bbp s TYR 68 CO -0.01 0.03 0.51 -0.59 -1.11 0.00 0.00 175.55 174.38 1bbp s PHE 69 N -0.63 -0.14 0.08 2.71 -0.71 -1.26 -1.92 117.98 116.11 1bbp s PHE 69 Ca 0.06 -0.19 0.05 0.00 -1.04 0.00 0.00 56.93 55.81 1bbp s PHE 69 Cb -0.08 0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1bbp s PHE 69 CO 0.01 -0.88 -0.12 -1.50 -1.34 0.00 0.00 175.22 171.38 1bbp s ILE 70 N -3.86 1.03 0.23 -4.49 2.07 -0.77 -4.97 121.20 110.45 1bbp s ILE 70 Ca 0.08 -1.45 0.11 0.00 -1.41 0.00 0.00 60.65 57.98 1bbp s ILE 70 Cb -0.01 -1.18 -0.05 0.00 0.13 0.00 0.00 42.46 41.36 1bbp s ILE 70 CO -0.05 -0.37 -0.15 -1.61 -1.91 0.00 0.00 174.94 170.85 1bbp s GLU 71 N -2.18 1.83 0.00 3.50 2.02 -1.26 -1.33 118.70 121.28 1bbp s GLU 71 Ca 0.01 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.48 1bbp s GLU 71 Cb -0.07 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1bbp s GLU 71 CO 0.02 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.09 1bbp n GLY 72 N -0.26 1.79 3.02 -1.39 0.00 0.35 -4.73 105.19 103.97 1bbp n GLY 72 Ca -0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.19 0.40 0.01 2.61 -4.23 -0.93 -0.33 115.64 110.97 1bbp s THR 73 Ca 0.00 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.67 1bbp s THR 73 Cb 0.00 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.35 1bbp s THR 73 CO 0.00 -0.34 -0.18 0.00 -0.54 0.00 0.00 174.62 173.56 1bbp s ALA 74 N -1.21 1.53 0.06 3.99 0.00 -0.07 -0.01 121.76 126.04 1bbp s ALA 74 Ca -0.10 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 1bbp s ALA 74 Cb -0.09 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.72 1bbp s ALA 74 CO -0.00 0.36 0.44 1.52 0.00 0.00 0.00 175.76 178.08 1bbp s TYR 75 N -0.56 -0.30 0.56 0.00 -0.85 -0.22 -1.16 117.35 114.82 1bbp s TYR 75 Ca 0.06 0.25 -0.19 0.00 -0.52 0.00 0.00 57.07 56.67 1bbp s TYR 75 Cb -0.07 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.48 1bbp s TYR 75 CO 0.00 -0.61 1.17 -2.14 -1.52 0.00 0.00 175.55 172.45 1bbp s PRO 76 N -2.66 3.19 0.21 -3.49 0.02 -1.26 -0.52 135.00 130.48 1bbp s PRO 76 Ca -0.04 1.71 -0.03 0.00 0.02 0.00 0.00 61.00 62.66 1bbp s PRO 76 Cb -0.00 -1.97 0.17 0.00 0.02 0.00 0.00 34.50 32.71 1bbp s PRO 76 CO -0.04 -1.01 1.58 0.28 -0.33 0.00 0.00 177.00 177.48 1bbp h VAL 77 N 1.07 1.29 0.00 3.83 2.07 -1.57 -3.43 116.25 119.51 1bbp h VAL 77 Ca -0.50 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1bbp h VAL 77 Cb 1.28 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1bbp h VAL 77 CO 0.56 0.50 0.00 0.61 0.02 0.00 0.00 177.57 179.26 1bbp n GLY 78 N -0.01 2.81 3.72 2.17 0.00 -1.26 -5.05 105.19 107.57 1bbp n GLY 78 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1bbp n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bbp n ASP 79 N 0.00 4.01 0.02 1.61 4.64 -1.26 -4.90 116.55 120.68 1bbp n ASP 79 Ca 0.00 1.07 0.08 0.00 -1.38 0.00 0.00 54.79 54.56 1bbp n ASP 79 Cb 0.00 -1.58 0.35 0.00 -1.04 0.00 0.00 41.12 38.85 1bbp n ASP 79 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1bbp n SER 80 N 3.77 0.13 0.19 1.67 3.41 -1.26 -2.22 113.62 119.31 1bbp n SER 80 Ca 0.15 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 1bbp n SER 80 Cb 0.35 -0.56 0.23 0.00 -0.26 0.00 0.00 64.21 63.97 1bbp n SER 80 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1bbp h LYS 84 N 0.00 0.00 -5.24 4.33 1.79 -1.87 -3.40 116.57 112.18 1bbp h LYS 84 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1bbp h LYS 84 Cb 0.28 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.79 1bbp h LYS 84 CO 0.00 0.28 -0.15 0.42 -1.08 0.00 0.00 179.45 178.92 1bbp s ILE 85 N -3.27 5.14 0.00 1.86 1.01 -0.94 -0.21 121.20 124.78 1bbp s ILE 85 Ca 0.03 0.69 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 1bbp s ILE 85 Cb 0.08 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 1bbp s ILE 85 CO 0.68 0.14 1.36 0.61 0.00 0.00 0.00 174.94 177.73 1bbp n GLY 86 N 4.54 1.62 3.02 6.18 0.00 0.24 -4.70 105.19 116.09 1bbp n GLY 86 Ca -0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 1.59 2.28 -0.10 1.61 -2.85 -1.26 0.42 119.74 121.43 1bbp s LYS 87 Ca 0.14 -0.73 0.03 0.00 -1.00 0.00 0.00 55.97 54.41 1bbp s LYS 87 Cb 0.07 -2.31 -0.01 0.00 -2.06 0.00 0.00 37.83 33.52 1bbp s LYS 87 CO 0.00 -0.32 -0.20 0.42 0.10 0.00 0.00 175.35 175.35 1bbp s ILE 88 N 1.42 2.46 0.09 3.79 1.01 -0.36 -1.42 121.20 128.19 1bbp s ILE 88 Ca 0.02 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.48 1bbp s ILE 88 Cb -0.14 -1.97 -0.06 0.00 0.01 0.00 0.00 42.46 40.29 1bbp s ILE 88 CO -0.10 0.55 1.21 -0.31 0.00 0.00 0.00 174.94 176.30 1bbp s TYR 89 N 0.17 3.43 -0.31 3.97 4.12 0.32 -0.56 117.35 128.50 1bbp s TYR 89 Ca -0.11 1.30 0.03 0.00 0.02 0.00 0.00 57.07 58.31 1bbp s TYR 89 Cb -0.16 -3.44 0.09 0.00 -1.52 0.00 0.00 41.96 36.92 1bbp s TYR 89 CO 0.06 -1.34 -0.01 -1.01 0.02 0.00 0.00 175.55 173.27 1bbp s HIS 90 N 0.84 3.51 -0.53 2.71 3.76 -0.17 -1.06 115.29 124.35 1bbp s HIS 90 Ca 0.58 -2.71 -0.21 0.00 -0.15 0.00 0.00 55.06 52.57 1bbp s HIS 90 Cb -0.31 -2.52 0.05 0.00 1.11 0.00 0.00 32.58 30.92 1bbp s HIS 90 CO 0.31 -0.92 0.74 0.21 -0.85 0.00 0.00 174.74 174.22 1bbp s LYS 91 N 1.00 3.19 0.15 1.40 2.20 0.98 -2.27 119.74 126.39 1bbp s LYS 91 Ca 0.04 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 1bbp s LYS 91 Cb -0.19 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 1bbp s LYS 91 CO -0.07 -1.33 -0.10 -0.51 -0.36 0.00 0.00 175.35 172.99 1bbp s LEU 92 N 3.08 2.52 -0.14 5.43 1.43 -1.04 -2.18 118.68 127.78 1bbp s LEU 92 Ca 0.20 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1bbp s LEU 92 Cb -0.17 -0.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 1bbp s LEU 92 CO 0.14 -0.34 -0.08 -0.89 0.23 0.00 0.00 176.35 175.41 1bbp s THR 93 N -3.35 3.53 0.01 5.49 2.01 -1.26 -2.30 115.64 119.78 1bbp s THR 93 Ca 0.17 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1bbp s THR 93 Cb 0.03 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1bbp s THR 93 CO 0.00 0.51 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.07 1bbp s TYR 94 N 0.35 0.52 -1.83 4.92 1.51 -0.44 -4.85 117.35 117.53 1bbp s TYR 94 Ca -0.07 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1bbp s TYR 94 Cb -0.15 -0.33 0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1bbp s TYR 94 CO 0.04 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1bbp n GLY 95 N 2.49 0.01 2.57 0.71 0.00 -1.26 -1.04 105.19 108.67 1bbp n GLY 95 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.91 0.54 3.31 -0.02 0.00 -1.26 -4.99 105.19 101.86 1bbp n GLY 96 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.37 3.02 -0.27 1.61 1.01 -0.21 -5.09 120.40 118.10 1bbp s VAL 97 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1bbp s VAL 97 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1bbp s VAL 97 CO 0.00 0.48 0.22 -0.89 0.00 0.00 0.00 175.10 174.92 1bbp s THR 98 N 0.97 5.29 0.10 3.92 2.01 -1.26 -1.33 115.64 125.34 1bbp s THR 98 Ca -0.02 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.30 1bbp s THR 98 Cb -0.15 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1bbp s THR 98 CO -0.01 0.24 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.46 1bbp s LYS 99 N 1.73 0.97 -0.35 4.92 -0.14 -0.97 -5.00 119.74 120.89 1bbp s LYS 99 Ca 0.09 -1.10 -0.18 0.00 -1.36 0.00 0.00 55.97 53.41 1bbp s LYS 99 Cb -0.16 -1.01 -0.00 0.00 -1.68 0.00 0.00 37.83 34.98 1bbp s LYS 99 CO 0.10 0.22 0.53 -1.21 -0.76 0.00 0.00 175.35 174.23 1bbp s GLU 100 N -2.07 3.63 -0.17 1.68 2.02 -1.26 -2.49 118.70 120.04 1bbp s GLU 100 Ca 0.04 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 1bbp s GLU 100 Cb -0.08 -3.81 -0.01 0.00 0.10 0.00 0.00 34.13 30.32 1bbp s GLU 100 CO 0.03 -0.66 -0.09 -0.80 0.02 0.00 0.00 175.26 173.77 1bbp s ASN 101 N 1.76 4.23 -0.10 -0.19 0.01 -0.96 -4.91 114.94 114.78 1bbp s ASN 101 Ca 0.20 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.73 1bbp s ASN 101 Cb -0.15 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.81 1bbp s ASN 101 CO 0.13 0.10 1.09 -0.69 -1.51 0.00 0.00 177.10 176.23 1bbp s VAL 102 N 0.76 4.55 -0.22 1.60 1.01 -1.26 -1.00 120.40 125.84 1bbp s VAL 102 Ca -0.04 1.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.74 1bbp s VAL 102 Cb -0.15 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1bbp s VAL 102 CO 0.02 -0.01 -0.02 0.12 0.00 0.00 0.00 175.10 175.20 1bbp s PHE 103 N 2.21 2.99 -0.21 5.22 5.36 0.28 -4.45 117.98 129.38 1bbp s PHE 103 Ca 0.51 -0.80 -0.08 0.00 -0.96 0.00 0.00 56.93 55.60 1bbp s PHE 103 Cb -0.21 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 1bbp s PHE 103 CO 0.19 -0.49 0.09 -0.80 -1.46 0.00 0.00 175.22 172.75 1bbp s ASN 104 N 1.48 5.69 -0.53 6.13 0.01 -0.00 -1.22 114.94 126.49 1bbp s ASN 104 Ca 0.06 0.05 -0.21 0.00 -0.71 0.00 0.00 52.86 52.04 1bbp s ASN 104 Cb -0.14 -2.00 0.06 0.00 0.41 0.00 0.00 41.25 39.57 1bbp s ASN 104 CO -0.01 0.11 0.74 -0.69 -1.51 0.00 0.00 177.10 175.74 1bbp s VAL 105 N 0.75 4.70 0.07 1.60 1.01 0.17 -0.99 120.40 127.71 1bbp s VAL 105 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1bbp s VAL 105 Cb -0.13 -4.40 -0.28 0.00 0.00 0.00 0.00 36.38 31.58 1bbp s VAL 105 CO 0.02 -0.94 1.13 -0.07 0.00 0.00 0.00 175.10 175.24 1bbp h LEU 106 N 10.16 0.37 -7.12 3.92 3.38 -1.45 -0.73 115.31 123.85 1bbp h LEU 106 Ca -0.27 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 1bbp h LEU 106 Cb 1.09 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.50 1bbp h LEU 106 CO 1.02 1.32 0.00 -0.55 0.09 0.00 0.00 178.44 180.32 1bbp s SER 107 N -7.08 -0.61 -0.00 -0.43 0.15 -1.14 -4.51 113.70 100.08 1bbp s SER 107 Ca -0.04 1.12 -0.28 0.00 0.70 0.00 0.00 55.95 57.45 1bbp s SER 107 Cb 0.07 1.13 0.10 0.00 -1.71 0.00 0.00 66.02 65.61 1bbp s SER 107 CO 0.87 -0.26 0.84 0.28 1.20 0.00 0.00 173.24 176.17 1bbp s THR 108 N 0.10 0.00 -1.47 6.45 -1.32 -1.26 -0.52 115.64 117.62 1bbp s THR 108 Ca -0.02 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.66 1bbp s THR 108 Cb -0.04 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.86 1bbp s THR 108 CO 0.02 0.00 0.93 -0.90 -2.21 0.00 0.00 174.62 172.46 1bbp n ASP 109 N -0.05 1.50 -0.71 8.08 5.75 -1.23 -4.96 116.55 124.93 1bbp n ASP 109 Ca -0.11 -1.25 -0.09 0.00 -0.01 0.00 0.00 54.79 53.32 1bbp n ASP 109 Cb 0.61 0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 41.35 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 -0.62 -4.99 0.07 -1.12 3.02 -1.26 -4.76 115.26 105.60 1bbp n ASN 110 Ca 0.06 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1bbp n ASN 110 Cb 0.38 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 1bbp n ASN 110 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1bbp n LYS 111 N -1.56 0.00 -0.08 3.52 5.02 -1.26 -4.94 118.16 118.86 1bbp n LYS 111 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.09 1bbp n LYS 111 Cb 0.45 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 35.03 1bbp n LYS 111 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bbp n ASN 112 N -3.43 2.64 -4.13 4.39 5.03 -1.26 -4.85 115.26 113.65 1bbp n ASN 112 Ca 0.00 -0.08 -0.09 0.00 0.87 0.00 0.00 54.58 55.27 1bbp n ASN 112 Cb 0.04 -0.19 -0.10 0.00 -1.02 0.00 0.00 39.78 38.51 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 -2.33 0.77 -0.12 3.10 1.13 -1.26 -1.22 117.35 117.41 1bbp s TYR 113 Ca -0.21 -1.18 -0.06 0.00 -1.41 0.00 0.00 57.07 54.21 1bbp s TYR 113 Cb 0.06 -0.44 0.05 0.00 -1.10 0.00 0.00 41.96 40.53 1bbp s TYR 113 CO 0.40 -0.50 0.29 0.42 -2.51 0.00 0.00 175.55 173.65 1bbp s ILE 114 N -4.02 -0.06 -0.31 -3.49 1.01 0.26 -3.57 121.20 111.02 1bbp s ILE 114 Ca 0.20 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 1bbp s ILE 114 Cb 0.07 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.11 1bbp s ILE 114 CO -0.01 0.06 0.09 -0.63 0.00 0.00 0.00 174.94 174.45 1bbp s ILE 115 N 1.37 3.92 0.27 2.92 1.01 0.32 -0.03 121.20 130.98 1bbp s ILE 115 Ca -0.09 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.87 1bbp s ILE 115 Cb -0.10 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1bbp s ILE 115 CO -0.10 0.02 -0.17 -0.83 0.00 0.00 0.00 174.94 173.87 1bbp s GLY 116 N 1.48 1.84 -0.03 6.18 0.00 0.49 -1.25 107.32 116.03 1bbp s GLY 116 Ca 0.02 -1.87 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 1bbp s GLY 116 CO 0.02 -1.93 0.06 -0.47 0.00 0.00 0.00 173.10 170.79 1bbp s TYR 117 N -2.65 -0.05 -0.03 1.90 5.04 -0.16 -1.49 117.35 119.92 1bbp s TYR 117 Ca 0.29 0.21 0.06 0.00 -2.44 0.00 0.00 57.07 55.18 1bbp s TYR 117 Cb -0.03 -0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 1bbp s TYR 117 CO 0.13 -0.08 -0.20 -0.47 -1.34 0.00 0.00 175.55 173.59 1bbp s TYR 118 N 0.67 1.85 -0.14 4.97 5.04 -0.01 -0.82 117.35 128.91 1bbp s TYR 118 Ca -0.05 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.18 1bbp s TYR 118 Cb -0.07 -1.21 0.01 0.00 0.35 0.00 0.00 41.96 41.04 1bbp s TYR 118 CO -0.02 -0.09 -0.21 0.00 -1.34 0.00 0.00 175.55 173.89 1bbp s LYS 120 N 0.85 2.76 -0.06 0.00 2.20 0.34 -4.94 119.74 120.90 1bbp s LYS 120 Ca -0.07 -1.30 -0.18 0.00 -0.36 0.00 0.00 55.97 54.07 1bbp s LYS 120 Cb -0.15 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1bbp s LYS 120 CO -0.02 -0.87 0.49 -0.47 -0.36 0.00 0.00 175.35 174.11 1bbp s TYR 121 N 1.52 3.62 -0.47 4.03 5.04 -1.26 -0.26 117.35 129.56 1bbp s TYR 121 Ca 0.03 1.00 -0.16 0.00 -2.44 0.00 0.00 57.07 55.49 1bbp s TYR 121 Cb -0.22 -2.49 0.06 0.00 0.35 0.00 0.00 41.96 39.66 1bbp s TYR 121 CO 0.05 0.35 0.44 0.34 -1.34 0.00 0.00 175.55 175.39 1bbp s ASP 122 N -0.06 6.17 0.25 4.32 3.68 0.89 -4.96 116.67 126.97 1bbp s ASP 122 Ca 0.26 -1.15 -0.03 0.00 2.13 0.00 0.00 52.55 53.76 1bbp s ASP 122 Cb -0.16 -2.21 0.31 0.00 -1.45 0.00 0.00 42.92 39.41 1bbp s ASP 122 CO 0.13 -0.68 1.79 -0.33 0.13 0.00 0.00 175.17 176.21 1bbp h GLU 123 N 8.80 0.92 0.06 4.34 5.08 -1.97 0.33 114.58 132.13 1bbp h GLU 123 Ca -0.28 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1bbp h GLU 123 Cb 1.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1bbp h GLU 123 CO 0.88 0.83 -0.03 -0.44 -1.00 0.00 0.00 179.01 179.25 1bbp h ASP 124 N 0.88 -0.06 0.43 1.42 3.45 -1.96 -3.20 116.42 117.38 1bbp h ASP 124 Ca 0.19 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1bbp h ASP 124 Cb 0.33 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1bbp h ASP 124 CO 0.00 0.35 -0.16 0.29 -1.57 0.00 0.00 179.24 178.14 1bbp n LYS 125 N -4.93 0.55 -3.87 3.56 4.76 -1.17 -4.95 118.16 112.11 1bbp n LYS 125 Ca -0.08 -0.21 -0.28 0.00 -2.87 0.00 0.00 58.31 54.86 1bbp n LYS 125 Cb 0.22 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.94 1bbp n LYS 125 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1bbp n LYS 126 N -1.04 -5.25 -4.32 1.97 0.00 0.11 -4.88 118.16 104.74 1bbp n LYS 126 Ca 0.12 0.59 -0.19 0.00 0.00 0.00 0.00 58.31 58.84 1bbp n LYS 126 Cb 0.30 -5.37 -0.09 0.00 0.00 0.00 0.00 35.03 29.87 1bbp n LYS 126 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1bbp s GLY 127 N -3.60 2.09 0.03 3.14 0.00 -1.05 -1.30 107.32 106.63 1bbp s GLY 127 Ca 0.48 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 1bbp s GLY 127 CO 0.83 -1.56 0.18 -2.38 0.00 0.00 0.00 173.10 170.17 1bbp s HIS 128 N -3.60 0.06 -0.13 1.90 -3.43 0.75 -0.08 115.29 110.76 1bbp s HIS 128 Ca 0.36 -0.27 -0.04 0.00 -0.80 0.00 0.00 55.06 54.32 1bbp s HIS 128 Cb 0.04 -0.04 -0.03 0.00 -1.43 0.00 0.00 32.58 31.12 1bbp s HIS 128 CO 0.19 -0.41 -0.00 -1.14 -2.00 0.00 0.00 174.74 171.38 1bbp s GLN 129 N -2.40 3.47 -0.17 -0.38 0.74 0.64 -0.41 119.66 121.14 1bbp s GLN 129 Ca -0.06 -0.44 -0.13 0.00 0.05 0.00 0.00 55.36 54.78 1bbp s GLN 129 Cb -0.02 -2.93 -0.05 0.00 1.10 0.00 0.00 33.01 31.11 1bbp s GLN 129 CO -0.03 0.43 0.24 -0.51 -0.55 0.00 0.00 175.29 174.87 1bbp s ASP 130 N -0.13 6.37 -0.15 6.67 1.01 0.02 -0.50 116.67 129.96 1bbp s ASP 130 Ca 0.04 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.75 1bbp s ASP 130 Cb -0.13 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1bbp s ASP 130 CO 0.02 0.13 -0.18 -0.36 0.21 0.00 0.00 175.17 174.99 1bbp s PHE 131 N 0.38 2.48 -0.03 4.23 0.40 0.07 -4.36 117.98 121.16 1bbp s PHE 131 Ca 0.14 -1.36 0.02 0.00 -0.60 0.00 0.00 56.93 55.13 1bbp s PHE 131 Cb -0.12 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 41.67 1bbp s PHE 131 CO 0.02 -0.68 -0.08 0.08 0.70 0.00 0.00 175.22 175.27 1bbp s VAL 132 N 1.17 0.71 -0.01 -0.44 1.01 -1.26 -0.83 120.40 120.74 1bbp s VAL 132 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1bbp s VAL 132 Cb -0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1bbp s VAL 132 CO -0.08 0.23 -0.15 0.26 0.00 0.00 0.00 175.10 175.36 1bbp s TRP 133 N 0.36 1.37 -0.36 5.22 0.51 -0.56 -1.04 118.94 124.44 1bbp s TRP 133 Ca -0.05 -0.27 -0.02 0.00 -2.12 0.00 0.00 56.10 53.64 1bbp s TRP 133 Cb -0.10 -0.89 0.09 0.00 -0.81 0.00 0.00 33.47 31.76 1bbp s TRP 133 CO 0.01 -0.03 0.12 0.08 -0.51 0.00 0.00 176.95 176.61 1bbp s VAL 134 N -0.33 3.11 -0.00 4.03 1.01 0.27 -0.38 120.40 128.12 1bbp s VAL 134 Ca 0.05 -1.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 1bbp s VAL 134 Cb -0.06 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1bbp s VAL 134 CO -0.00 -0.46 0.29 -0.76 0.00 0.00 0.00 175.10 174.17 1bbp s LEU 135 N 1.17 4.39 -0.01 3.92 1.43 0.95 -0.87 118.68 129.66 1bbp s LEU 135 Ca 0.03 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.61 1bbp s LEU 135 Cb -0.21 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1bbp s LEU 135 CO -0.03 0.28 0.39 -0.55 0.23 0.00 0.00 176.35 176.67 1bbp s SER 136 N -1.49 -0.29 0.43 2.29 0.15 -0.50 -0.58 113.70 113.72 1bbp s SER 136 Ca 0.26 0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.38 1bbp s SER 136 Cb -0.14 0.37 1.13 0.00 -1.71 0.00 0.00 66.02 65.67 1bbp s SER 136 CO 0.14 -0.51 1.86 0.03 1.20 0.00 0.00 173.24 175.96 1bbp h ARG 137 N 3.59 0.00 -5.73 5.44 2.47 -1.42 0.34 114.38 119.07 1bbp h ARG 137 Ca -0.29 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.83 1bbp h ARG 137 Cb 1.17 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.19 1bbp h ARG 137 CO 0.40 0.00 -0.85 0.45 0.56 0.00 0.00 179.97 180.53 1bbp s SER 138 N -5.22 2.40 0.48 7.04 0.15 -1.26 -4.82 113.70 112.47 1bbp s SER 138 Ca 0.03 -0.38 0.27 0.00 0.70 0.00 0.00 55.95 56.57 1bbp s SER 138 Cb 0.09 -0.48 1.14 0.00 -1.71 0.00 0.00 66.02 65.06 1bbp s SER 138 CO 0.51 0.21 1.91 0.11 1.20 0.00 0.00 173.24 177.19 1bbp h LYS 139 N 5.93 0.00 -5.56 5.44 1.57 -1.95 -3.41 116.57 118.59 1bbp h LYS 139 Ca -0.35 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.75 1bbp h LYS 139 Cb 1.16 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.16 1bbp h LYS 139 CO 0.48 0.16 -0.84 0.08 -0.57 0.00 0.00 179.45 178.75 1bbp s VAL 140 N -3.76 2.37 0.39 0.50 1.01 -1.26 -4.84 120.40 114.82 1bbp s VAL 140 Ca -0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 1bbp s VAL 140 Cb 0.11 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 1bbp s VAL 140 CO 0.60 0.56 1.07 -0.76 0.00 0.00 0.00 175.10 176.56 1bbp s LEU 141 N 0.16 4.17 0.15 3.92 1.43 -1.26 -5.04 118.68 122.21 1bbp s LEU 141 Ca -0.11 2.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 1bbp s LEU 141 Cb -0.16 -4.13 0.04 0.00 0.03 0.00 0.00 46.19 41.97 1bbp s LEU 141 CO 0.06 -0.49 0.47 0.28 0.23 0.00 0.00 176.35 176.90 1bbp s THR 142 N -1.60 0.04 0.00 5.49 -1.32 -1.26 -4.82 115.64 112.18 1bbp s THR 142 Ca 0.57 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1bbp s THR 142 Cb -0.24 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 1bbp s THR 142 CO 0.30 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1bbp n GLY 143 N -0.29 2.78 0.37 6.08 0.00 -1.26 -2.44 105.19 110.43 1bbp n GLY 143 Ca -0.14 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 1.00 -0.60 1.61 5.08 -2.00 -1.63 114.58 118.03 1bbp h GLU 144 Ca 0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1bbp h GLU 144 Cb 0.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1bbp h GLU 144 CO 0.00 0.66 0.18 0.00 -1.00 0.00 0.00 179.01 178.85 1bbp h ALA 145 N 1.52 0.79 -0.34 3.43 0.00 -1.94 0.25 119.26 122.97 1bbp h ALA 145 Ca 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1bbp h ALA 145 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1bbp h ALA 145 CO -0.21 0.46 0.18 -0.22 0.00 0.00 0.00 179.25 179.46 1bbp h LYS 146 N 0.86 0.48 -0.47 0.00 3.64 -1.08 0.16 116.57 120.16 1bbp h LYS 146 Ca 0.19 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1bbp h LYS 146 Cb 0.29 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1bbp h LYS 146 CO -0.01 0.41 0.12 1.15 -2.27 0.00 0.00 179.45 178.85 1bbp h THR 147 N 0.43 1.20 -0.28 1.00 2.02 -1.04 0.16 112.91 116.41 1bbp h THR 147 Ca 0.12 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 1bbp h THR 147 Cb 0.08 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1bbp h THR 147 CO -0.02 0.27 -0.33 0.00 0.37 0.00 0.00 175.52 175.81 1bbp h ALA 148 N 1.44 0.91 -0.18 6.16 0.00 0.17 -0.68 119.26 127.09 1bbp h ALA 148 Ca 0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1bbp h ALA 148 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bbp h ALA 148 CO -0.00 0.62 -0.26 0.28 0.00 0.00 0.00 179.25 179.89 1bbp h VAL 149 N 0.51 1.34 -0.97 0.00 2.07 0.16 -1.77 116.25 117.59 1bbp h VAL 149 Ca 0.06 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1bbp h VAL 149 Cb 0.81 1.88 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 1bbp h VAL 149 CO 0.07 0.45 0.63 -0.33 0.02 0.00 0.00 177.57 178.41 1bbp h GLU 150 N 0.14 1.18 -0.12 1.57 5.08 -0.57 -1.30 114.58 120.57 1bbp h GLU 150 Ca 0.02 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 1bbp h GLU 150 Cb 0.84 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1bbp h GLU 150 CO 0.06 0.78 -0.83 -0.91 -1.00 0.00 0.00 179.01 177.12 1bbp h ASN 151 N 1.22 0.93 -0.62 1.42 -0.26 -0.92 -2.08 115.58 115.28 1bbp h ASN 151 Ca 0.39 -0.65 -0.01 0.00 -0.56 0.00 0.00 56.30 55.46 1bbp h ASN 151 Cb 0.02 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 36.97 1bbp h ASN 151 CO -0.13 1.44 0.34 0.22 -1.06 0.00 0.00 177.43 178.24 1bbp h TYR 152 N 0.49 0.84 0.00 1.19 5.03 -0.96 -2.27 116.97 121.30 1bbp h TYR 152 Ca -0.07 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 1bbp h TYR 152 Cb 1.46 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 39.47 1bbp h TYR 152 CO 0.09 0.61 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.30 1bbp h LEU 153 N 0.84 0.00 -0.56 2.82 4.07 -1.08 -0.81 115.31 120.58 1bbp h LEU 153 Ca 0.22 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.11 1bbp h LEU 153 Cb 0.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1bbp h LEU 153 CO -0.03 0.17 0.08 0.40 -1.08 0.00 0.00 178.44 177.97 1bbp h ILE 154 N 0.00 1.26 -0.02 1.22 1.08 -0.76 -3.26 117.51 117.03 1bbp h ILE 154 Ca -0.00 -0.99 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1bbp h ILE 154 Cb 0.49 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1bbp h ILE 154 CO 0.02 0.36 -0.29 0.61 -0.69 0.00 0.00 178.15 178.16 1bbp n GLY 155 N -0.52 0.13 3.66 5.37 0.00 -0.91 -4.99 105.19 107.92 1bbp n GLY 155 Ca 0.02 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 0.21 4.10 0.24 1.61 2.88 -0.36 -4.87 113.62 117.44 1bbp n SER 156 Ca 0.09 0.91 0.10 0.00 -1.33 0.00 0.00 58.87 58.64 1bbp n SER 156 Cb 0.41 -1.51 0.58 0.00 -0.75 0.00 0.00 64.21 62.94 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 10.42 0.00 0.00 -1.46 0.13 -1.94 -3.38 132.00 135.77 1bbp h PRO 157 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 1bbp h PRO 157 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1bbp h PRO 157 CO 0.94 0.20 -1.59 0.28 -0.23 0.00 0.00 178.00 177.59 1bbp n VAL 158 N -3.63 1.36 -2.63 1.56 0.31 -1.26 -4.96 118.33 109.07 1bbp n VAL 158 Ca -0.01 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 1bbp n VAL 158 Cb 0.33 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 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 -2.58 4.65 -0.38 2.52 1.01 -1.26 -5.02 120.40 119.33 1bbp s VAL 159 Ca -0.28 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 63.45 1bbp s VAL 159 Cb 0.08 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1bbp s VAL 159 CO 0.38 0.01 0.47 -0.62 0.00 0.00 0.00 175.10 175.34 1bbp s ASP 161 N 1.18 6.24 0.43 3.32 3.68 -1.26 -4.70 116.67 125.56 1bbp s ASP 161 Ca 0.50 -0.34 0.13 0.00 2.13 0.00 0.00 52.55 54.98 1bbp s ASP 161 Cb -0.20 -2.24 1.01 0.00 -1.45 0.00 0.00 42.92 40.04 1bbp s ASP 161 CO 0.19 -0.51 1.97 0.77 0.13 0.00 0.00 175.17 177.72 1bbp h SER 162 N 8.60 0.39 1.15 -0.34 4.64 -1.96 -1.34 113.55 124.69 1bbp h SER 162 Ca -0.28 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1bbp h SER 162 Cb 1.12 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1bbp h SER 162 CO 0.77 0.23 -0.16 1.56 -0.87 0.00 0.00 176.83 178.37 1bbp h GLN 163 N 0.43 0.00 -0.01 4.77 7.50 -1.99 -2.76 115.11 123.06 1bbp h GLN 163 Ca 0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.44 1bbp h GLN 163 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 1bbp h GLN 163 CO -0.08 0.16 -0.15 1.63 -1.50 0.00 0.00 178.83 178.89 1bbp n LYS 164 N -3.26 0.93 -2.50 1.46 5.02 -0.51 -4.89 118.16 114.42 1bbp n LYS 164 Ca 0.01 -0.46 -0.40 0.00 -2.02 0.00 0.00 58.31 55.44 1bbp n LYS 164 Cb 0.44 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.39 4.55 -0.15 -0.35 1.43 -1.04 -4.47 118.68 116.26 1bbp s LEU 165 Ca 0.29 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1bbp s LEU 165 Cb 0.20 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 1bbp s LEU 165 CO 0.47 -0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 176.09 1bbp s VAL 166 N -1.17 2.75 -0.22 -1.59 1.01 0.73 -4.92 120.40 116.99 1bbp s VAL 166 Ca 0.44 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1bbp s VAL 166 Cb -0.31 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1bbp s VAL 166 CO 0.40 0.51 0.27 -0.31 0.00 0.00 0.00 175.10 175.98 1bbp s TYR 167 N 0.75 3.35 0.63 5.22 2.02 -1.26 -1.16 117.35 126.90 1bbp s TYR 167 Ca -0.06 0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.90 1bbp s TYR 167 Cb -0.15 -2.39 -0.01 0.00 -0.40 0.00 0.00 41.96 39.00 1bbp s TYR 167 CO 0.01 0.04 1.14 -1.12 -1.57 0.00 0.00 175.55 174.05 1bbp s SER 168 N 1.02 5.12 -0.28 2.29 0.01 -0.67 -5.00 113.70 116.19 1bbp s SER 168 Ca 0.13 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.41 1bbp s SER 168 Cb -0.14 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1bbp s SER 168 CO 0.06 -1.62 0.22 -0.62 0.41 0.00 0.00 173.24 171.69 1bbp s ASP 169 N -2.20 6.06 -0.19 2.44 3.68 -1.26 -4.93 116.67 120.28 1bbp s ASP 169 Ca 0.71 0.03 0.16 0.00 2.13 0.00 0.00 52.55 55.57 1bbp s ASP 169 Cb -0.24 -2.13 0.47 0.00 -1.45 0.00 0.00 42.92 39.57 1bbp s ASP 169 CO 0.38 -0.08 1.37 0.49 0.13 0.00 0.00 175.17 177.46 1bbp n PHE 170 N 5.11 0.75 -1.66 -5.34 3.72 -1.26 -1.33 117.46 117.44 1bbp n PHE 170 Ca -0.13 -1.02 -0.38 0.00 -0.05 0.00 0.00 57.45 55.87 1bbp n PHE 170 Cb 0.52 -0.30 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.81 1.32 0.28 4.37 7.64 -1.26 -4.72 113.62 120.45 1bbp n SER 171 Ca 0.22 0.84 0.16 0.00 1.01 0.00 0.00 58.87 61.09 1bbp n SER 171 Cb 0.86 -1.45 0.84 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.64 0.00 0.01 1.43 4.11 -1.96 0.26 114.58 119.07 1bbp h GLU 172 Ca -0.49 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.74 1bbp h GLU 172 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1bbp h GLU 172 CO 0.52 0.07 -0.91 0.00 0.07 0.00 0.00 179.01 178.76 1bbp h ALA 173 N 1.93 0.50 -0.01 1.06 0.00 -1.96 0.24 119.26 121.02 1bbp h ALA 173 Ca -0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 54.91 53.94 1bbp h ALA 173 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1bbp h ALA 173 CO 0.01 1.04 -0.79 0.00 0.00 0.00 0.00 179.25 179.51 1bbp h ALA 174 N 1.03 0.64 0.00 0.00 0.00 -1.21 -3.25 119.26 116.46 1bbp h ALA 174 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1bbp h ALA 174 Cb 1.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1bbp h ALA 174 CO 0.13 0.88 -0.91 0.00 0.00 0.00 0.00 179.25 179.35 1bbp s LYS 176 N -3.13 4.16 -0.26 0.00 2.20 0.83 -4.99 119.74 118.55 1bbp s LYS 176 Ca 0.06 2.47 -0.08 0.00 -0.36 0.00 0.00 55.97 58.05 1bbp s LYS 176 Cb 0.15 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 1bbp s LYS 176 CO 0.79 -0.89 0.11 0.08 -0.36 0.00 0.00 175.35 175.07 1bbp s VAL 177 N 4.01 4.61 -2.03 4.02 1.01 -1.26 -3.65 120.40 127.10 1bbp s VAL 177 Ca 0.82 -0.08 0.32 0.00 0.00 0.00 0.00 61.98 63.03 1bbp s VAL 177 Cb -0.40 -3.18 0.89 0.00 0.00 0.00 0.00 36.38 33.68 1bbp s VAL 177 CO 0.37 0.30 2.20 0.59 0.00 0.00 0.00 175.10 178.56