#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imm s LYS 27 N 0.00 2.76 0.32 1.20 1.02 -1.26 -4.81 119.74 118.97 3imm s LYS 27 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 3imm s LYS 27 Cb 0.00 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.71 3imm s LYS 27 CO 0.00 0.42 1.38 -1.58 -0.92 0.00 0.00 175.35 174.65 3imm s TRP 28 N -2.03 2.93 0.03 3.18 0.52 -1.26 -4.59 118.94 117.72 3imm s TRP 28 Ca 0.32 1.26 0.03 0.00 0.02 0.00 0.00 56.10 57.73 3imm s TRP 28 Cb -0.08 -3.79 -0.02 0.00 -1.15 0.00 0.00 33.47 28.42 3imm s TRP 28 CO 0.23 -2.32 -0.09 -1.59 0.02 0.00 0.00 176.95 173.20 3imm s LYS 29 N -1.52 0.62 0.18 4.98 -2.85 -0.26 -4.93 119.74 115.96 3imm s LYS 29 Ca 0.52 -0.62 -0.33 0.00 -1.00 0.00 0.00 55.97 54.54 3imm s LYS 29 Cb -0.42 -0.52 -0.14 0.00 -2.06 0.00 0.00 37.83 34.69 3imm s LYS 29 CO 0.53 0.12 1.43 -2.30 0.10 0.00 0.00 175.35 175.23 3imm n PRO 30 N 1.96 1.82 -0.21 1.78 -0.02 -1.26 -0.94 135.00 138.13 3imm n PRO 30 Ca -0.19 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 3imm n PRO 30 Cb 0.56 -2.33 0.39 0.00 -0.02 0.00 0.00 33.50 32.09 3imm n PRO 30 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3imm h LEU 31 N 4.82 0.61 -3.15 2.45 5.85 -1.67 -3.02 115.31 121.20 3imm h LEU 31 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3imm h LEU 31 Cb 1.29 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3imm h LEU 31 CO 0.80 0.35 0.00 0.49 -0.34 0.00 0.00 178.44 179.75 3imm n PHE 32 N -4.51 0.96 -4.22 1.25 3.72 -1.26 -4.92 117.46 108.48 3imm n PHE 32 Ca 0.14 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 3imm n PHE 32 Cb 0.37 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3imm n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3imm n GLY 33 N 0.12 -0.85 3.85 1.37 0.00 -1.14 -0.76 105.19 107.77 3imm n GLY 33 Ca 0.20 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3imm n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imm s LYS 34 N 0.00 3.80 -1.81 1.61 1.02 -1.26 -4.38 119.74 118.72 3imm s LYS 34 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.26 3imm s LYS 34 Cb 0.00 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 3imm s LYS 34 CO 0.00 0.71 0.00 0.09 -0.92 0.00 0.00 175.35 175.23 3imm n ASN 35 N 1.89 -5.30 -1.41 2.83 3.02 -1.26 -1.76 115.26 113.27 3imm n ASN 35 Ca -0.15 0.26 -0.17 0.00 -0.03 0.00 0.00 54.58 54.49 3imm n ASN 35 Cb 0.53 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.23 3imm n ASN 35 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3imm n LEU 36 N -2.35 -1.33 0.10 3.41 4.77 -1.25 -4.89 117.00 115.46 3imm n LEU 36 Ca -0.20 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 3imm n LEU 36 Cb 0.64 -2.44 0.45 0.00 -2.33 0.00 0.00 43.42 39.74 3imm n LEU 36 CO 0.27 -0.77 0.82 -1.84 -1.33 0.00 0.00 177.39 174.54 3imm n GLU 37 N -2.53 0.14 -0.87 3.23 0.28 -0.72 -2.12 120.64 118.05 3imm n GLU 37 Ca -0.18 0.41 -0.03 0.00 -0.16 0.00 0.00 57.16 57.20 3imm n GLU 37 Cb 0.57 -1.79 0.27 0.00 1.43 0.00 0.00 31.44 31.92 3imm n GLU 37 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3imm n ASN 38 N -2.06 4.16 -4.37 -1.84 5.15 0.06 -4.95 115.26 111.40 3imm n ASN 38 Ca 0.02 -3.30 -0.30 0.00 -0.60 0.00 0.00 54.58 50.40 3imm n ASN 38 Cb 0.19 -0.69 -0.14 0.00 -0.53 0.00 0.00 39.78 38.62 3imm n ASN 38 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3imm s ALA 39 N -3.03 2.34 -0.30 5.20 0.00 -0.90 -1.42 121.76 123.64 3imm s ALA 39 Ca 0.51 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 3imm s ALA 39 Cb 0.42 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3imm s ALA 39 CO 0.10 0.54 0.25 -0.80 0.00 0.00 0.00 175.76 175.85 3imm s ASN 40 N -1.63 6.08 0.14 0.00 0.01 0.73 -4.82 114.94 115.44 3imm s ASN 40 Ca 0.13 -0.09 -0.25 0.00 -0.71 0.00 0.00 52.86 51.94 3imm s ASN 40 Cb -0.10 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.48 3imm s ASN 40 CO 0.04 -0.15 0.80 -0.72 -1.51 0.00 0.00 177.10 175.56 3imm s TYR 41 N 1.82 -0.30 -0.28 2.20 1.13 -1.26 -1.30 117.35 119.36 3imm s TYR 41 Ca 0.08 0.03 -0.10 0.00 -1.41 0.00 0.00 57.07 55.67 3imm s TYR 41 Cb -0.16 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3imm s TYR 41 CO 0.11 -0.85 0.17 1.21 -2.51 0.00 0.00 175.55 173.67 3imm s ASN 42 N -2.77 5.81 0.07 -0.18 3.84 -1.26 -4.98 114.94 115.48 3imm s ASN 42 Ca 0.07 -0.12 0.18 0.00 0.21 0.00 0.00 52.86 53.20 3imm s ASN 42 Cb -0.02 -2.07 0.75 0.00 -0.55 0.00 0.00 41.25 39.35 3imm s ASN 42 CO -0.04 -0.07 1.56 -0.81 -2.79 0.00 0.00 177.10 174.95 3imm n PRO 43 N 5.03 0.06 0.03 0.43 -0.04 -1.26 -0.70 135.00 138.55 3imm n PRO 43 Ca -0.14 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 3imm n PRO 43 Cb 0.51 -1.61 0.54 0.00 -0.04 0.00 0.00 33.50 32.91 3imm n PRO 43 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3imm n GLU 44 N -1.71 0.08 -0.12 0.54 1.02 -1.26 -4.25 120.64 114.94 3imm n GLU 44 Ca 0.03 0.08 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 3imm n GLU 44 Cb 0.20 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 3imm n GLU 44 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3imm n VAL 45 N -1.74 1.36 -4.71 2.62 0.31 0.12 -4.82 118.33 111.47 3imm n VAL 45 Ca 0.06 -0.38 -0.33 0.00 -0.01 0.00 0.00 64.34 63.68 3imm n VAL 45 Cb 0.36 -1.74 -0.12 0.00 -0.91 0.00 0.00 33.84 31.42 3imm n VAL 45 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 3imm s TRP 46 N -2.46 2.86 0.07 3.52 0.52 -0.38 -1.09 118.94 121.99 3imm s TRP 46 Ca -0.34 -0.11 -0.22 0.00 0.02 0.00 0.00 56.10 55.44 3imm s TRP 46 Cb 0.12 -1.71 0.05 0.00 -1.15 0.00 0.00 33.47 30.79 3imm s TRP 46 CO 0.46 0.21 0.53 -1.54 0.02 0.00 0.00 176.95 176.63 3imm s SER 47 N -0.60 -0.46 -0.17 2.95 1.04 -0.94 -4.44 113.70 111.08 3imm s SER 47 Ca 0.09 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 3imm s SER 47 Cb -0.12 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3imm s SER 47 CO 0.02 -0.77 -0.15 -0.70 0.98 0.00 0.00 173.24 172.61 3imm s GLU 48 N -2.76 3.20 -0.11 4.02 2.12 -1.26 -1.04 118.70 122.88 3imm s GLU 48 Ca -0.04 -0.75 -0.00 0.00 0.36 0.00 0.00 54.97 54.55 3imm s GLU 48 Cb -0.00 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.74 3imm s GLU 48 CO -0.04 -0.05 -0.08 0.99 -0.54 0.00 0.00 175.26 175.54 3imm s THR 49 N 0.98 1.04 -1.49 -1.70 2.01 0.58 -4.77 115.64 112.28 3imm s THR 49 Ca -0.02 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 3imm s THR 49 Cb -0.15 -1.05 0.10 0.00 0.01 0.00 0.00 72.50 71.41 3imm s THR 49 CO -0.03 0.37 0.74 0.47 -0.69 0.00 0.00 174.62 175.49 3imm n ASP 50 N 4.81 -4.16 0.00 3.53 8.00 -1.26 -1.25 116.55 126.22 3imm n ASP 50 Ca -0.14 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.69 3imm n ASP 50 Cb 0.50 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 3imm n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3imm n GLY 51 N -1.42 1.26 3.53 0.44 0.00 -1.26 -5.02 105.19 102.72 3imm n GLY 51 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3imm n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3imm s VAL 52 N -2.42 5.10 -0.06 1.61 1.01 -0.38 -4.37 120.40 120.88 3imm s VAL 52 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 3imm s VAL 52 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3imm s VAL 52 CO 0.00 -0.22 0.72 -0.22 0.00 0.00 0.00 175.10 175.38 3imm s LEU 53 N 2.16 4.33 0.03 3.92 2.96 0.34 -0.31 118.68 132.10 3imm s LEU 53 Ca 0.14 1.23 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 3imm s LEU 53 Cb -0.16 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 3imm s LEU 53 CO 0.13 -0.12 0.03 -0.83 -1.32 0.00 0.00 176.35 174.24 3imm s GLY 54 N 0.77 0.23 -0.13 7.98 0.00 -0.20 -0.02 107.32 115.94 3imm s GLY 54 Ca 0.38 -0.60 -0.00 0.00 0.00 0.00 0.00 44.72 44.50 3imm s GLY 54 CO 0.19 -0.71 -0.13 0.00 0.00 0.00 0.00 173.10 172.45 3imm s ALA 55 N -2.12 2.61 -2.38 3.20 0.00 -1.22 -2.21 121.76 119.65 3imm s ALA 55 Ca -0.09 -0.91 0.21 0.00 0.00 0.00 0.00 51.96 51.17 3imm s ALA 55 Cb -0.05 -1.22 0.11 0.00 0.00 0.00 0.00 23.12 21.96 3imm s ALA 55 CO -0.03 0.21 1.11 1.33 0.00 0.00 0.00 175.76 178.39 3imm n VAL 56 N 3.59 0.00 -4.15 0.00 0.24 -0.25 -4.44 118.33 113.32 3imm n VAL 56 Ca -0.18 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 3imm n VAL 56 Cb 0.53 1.38 -0.05 0.00 -1.47 0.00 0.00 33.84 34.23 3imm n VAL 56 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3imm n LYS 57 N 0.81 0.26 0.07 7.34 5.02 -1.26 -4.91 118.16 125.49 3imm n LYS 57 Ca 0.11 -1.99 0.12 0.00 -2.02 0.00 0.00 58.31 54.54 3imm n LYS 57 Cb 0.49 1.65 0.24 0.00 -0.02 0.00 0.00 35.03 37.39 3imm n LYS 57 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3imm n ASP 58 N -2.18 0.74 -4.78 4.39 5.75 -1.26 -0.49 116.55 118.73 3imm n ASP 58 Ca 0.04 0.26 -0.34 0.00 -0.01 0.00 0.00 54.79 54.75 3imm n ASP 58 Cb 0.36 -0.14 0.03 0.00 -1.03 0.00 0.00 41.12 40.34 3imm n ASP 58 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3imm s GLU 59 N -3.15 3.08 0.57 0.11 2.12 -1.26 -3.69 118.70 116.49 3imm s GLU 59 Ca 0.08 1.41 -0.08 0.00 0.36 0.00 0.00 54.97 56.74 3imm s GLU 59 Cb 0.13 -1.99 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 3imm s GLU 59 CO 0.68 -1.03 0.93 -1.12 -0.54 0.00 0.00 175.26 174.18 3imm s SER 60 N -2.38 6.10 -0.15 -1.70 0.01 -1.26 -3.59 113.70 110.74 3imm s SER 60 Ca 0.68 1.12 -0.02 0.00 1.31 0.00 0.00 55.95 59.04 3imm s SER 60 Cb -0.20 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 3imm s SER 60 CO 0.36 -0.82 -0.08 -0.51 0.41 0.00 0.00 173.24 172.60 3imm s ILE 61 N -3.00 3.48 0.07 1.44 2.07 -0.32 -4.70 121.20 120.23 3imm s ILE 61 Ca 0.52 -0.50 0.09 0.00 -1.41 0.00 0.00 60.65 59.35 3imm s ILE 61 Cb -0.11 -2.51 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 3imm s ILE 61 CO 0.49 0.50 -0.24 0.26 -1.91 0.00 0.00 174.94 174.04 3imm s TRP 62 N 0.45 2.38 0.40 3.50 0.52 -0.42 -0.66 118.94 125.11 3imm s TRP 62 Ca -0.06 -0.36 -0.27 0.00 0.02 0.00 0.00 56.10 55.43 3imm s TRP 62 Cb -0.15 -1.37 -0.09 0.00 -1.15 0.00 0.00 33.47 30.71 3imm s TRP 62 CO 0.04 0.22 1.36 0.95 0.02 0.00 0.00 176.95 179.54 3imm s THR 63 N -0.91 2.41 0.36 2.01 -4.23 0.13 -0.20 115.64 115.22 3imm s THR 63 Ca 0.13 0.39 0.13 0.00 -1.18 0.00 0.00 61.69 61.16 3imm s THR 63 Cb -0.10 -3.23 0.09 0.00 1.34 0.00 0.00 72.50 70.60 3imm s THR 63 CO 0.04 0.07 1.82 0.11 -0.54 0.00 0.00 174.62 176.12 3imm h LYS 64 N 2.79 0.00 -6.20 3.99 1.57 -1.56 -3.43 116.57 113.74 3imm h LYS 64 Ca -0.50 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.77 3imm h LYS 64 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 3imm h LYS 64 CO 0.63 0.38 -0.53 -0.51 -0.57 0.00 0.00 179.45 178.84 3imm s ASP 65 N -6.88 5.38 0.28 0.86 1.01 -1.26 -5.06 116.67 111.00 3imm s ASP 65 Ca -0.03 -0.32 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 3imm s ASP 65 Cb 0.14 -1.29 -0.05 0.00 1.01 0.00 0.00 42.92 42.73 3imm s ASP 65 CO 0.72 -0.06 0.52 -1.61 0.21 0.00 0.00 175.17 174.95 3imm s GLU 66 N -3.84 3.59 0.05 8.23 2.02 -1.26 -4.44 118.70 123.06 3imm s GLU 66 Ca 0.33 -0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.16 3imm s GLU 66 Cb -0.07 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 3imm s GLU 66 CO 0.24 0.24 0.12 0.71 0.02 0.00 0.00 175.26 176.59 3imm s TYR 67 N -2.08 0.20 -0.13 1.61 2.02 0.10 -4.89 117.35 114.19 3imm s TYR 67 Ca 0.42 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 56.31 3imm s TYR 67 Cb -0.11 -0.13 0.08 0.00 -0.40 0.00 0.00 41.96 41.41 3imm s TYR 67 CO 0.31 -0.41 0.76 -2.00 -1.57 0.00 0.00 175.55 172.64 3imm s GLU 68 N -2.92 0.90 -0.99 -0.62 2.12 -1.26 -2.12 118.70 113.81 3imm s GLU 68 Ca -0.02 0.42 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 3imm s GLU 68 Cb 0.01 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.81 3imm s GLU 68 CO -0.06 -0.24 0.76 0.09 -0.54 0.00 0.00 175.26 175.27 3imm n ASN 69 N 1.34 -6.02 -4.06 -1.70 3.02 -1.10 -4.89 115.26 101.86 3imm n ASN 69 Ca -0.16 -0.75 -0.10 0.00 -0.03 0.00 0.00 54.58 53.53 3imm n ASN 69 Cb 0.57 -3.82 -0.07 0.00 -0.61 0.00 0.00 39.78 35.85 3imm n ASN 69 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3imm s PHE 70 N -3.28 0.63 -0.00 3.10 -0.12 0.55 -1.22 117.98 117.64 3imm s PHE 70 Ca 0.30 -0.95 0.04 0.00 -0.05 0.00 0.00 56.93 56.27 3imm s PHE 70 Cb -0.09 -0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 3imm s PHE 70 CO 0.82 -0.82 -0.14 -1.83 -0.05 0.00 0.00 175.22 173.20 3imm s GLU 71 N -4.05 1.12 -0.02 1.99 -1.05 -0.10 -0.12 118.70 116.46 3imm s GLU 71 Ca 0.27 -0.55 -0.01 0.00 -0.15 0.00 0.00 54.97 54.53 3imm s GLU 71 Cb 0.03 -1.09 -0.04 0.00 -0.44 0.00 0.00 34.13 32.59 3imm s GLU 71 CO 0.08 0.30 0.07 -0.51 0.95 0.00 0.00 175.26 176.15 3imm s LEU 72 N -0.45 3.89 -0.03 1.83 1.43 0.24 -2.00 118.68 123.59 3imm s LEU 72 Ca 0.05 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3imm s LEU 72 Cb -0.06 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.99 3imm s LEU 72 CO -0.00 0.30 0.00 -0.62 0.23 0.00 0.00 176.35 176.25 3imm s ASP 73 N -1.57 0.47 0.11 2.29 2.15 0.46 -1.48 116.67 119.10 3imm s ASP 73 Ca 0.21 -0.03 -0.18 0.00 0.43 0.00 0.00 52.55 52.98 3imm s ASP 73 Cb -0.12 -0.23 0.04 0.00 -0.30 0.00 0.00 42.92 42.31 3imm s ASP 73 CO 0.12 -0.10 0.45 -1.48 -0.17 0.00 0.00 175.17 173.98 3imm s LEU 74 N 1.05 0.19 0.02 -1.34 0.05 -1.26 -0.97 118.68 116.42 3imm s LEU 74 Ca -0.09 -0.16 0.01 0.00 0.05 0.00 0.00 54.13 53.93 3imm s LEU 74 Cb -0.14 1.98 -0.04 0.00 -2.05 0.00 0.00 46.19 45.94 3imm s LEU 74 CO -0.02 -0.83 0.05 -1.81 -0.55 0.00 0.00 176.35 173.19 3imm s ASP 75 N -2.58 5.41 0.03 1.48 1.01 -0.24 -4.50 116.67 117.28 3imm s ASP 75 Ca 0.01 0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.30 3imm s ASP 75 Cb 0.01 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 3imm s ASP 75 CO -0.10 0.25 -0.02 0.72 0.21 0.00 0.00 175.17 176.23 3imm s PHE 76 N -1.20 0.35 -0.05 4.23 -0.12 -0.56 -1.50 117.98 119.13 3imm s PHE 76 Ca 0.23 -0.72 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3imm s PHE 76 Cb -0.12 -0.26 0.01 0.00 -0.63 0.00 0.00 43.02 42.02 3imm s PHE 76 CO 0.14 -0.27 -0.13 0.21 -0.05 0.00 0.00 175.22 175.13 3imm s LYS 77 N -2.39 1.59 0.43 1.99 2.20 0.20 -0.01 119.74 123.76 3imm s LYS 77 Ca -0.07 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 3imm s LYS 77 Cb -0.03 -1.35 -0.00 0.00 -1.51 0.00 0.00 37.83 34.93 3imm s LYS 77 CO -0.04 0.11 0.64 0.95 -0.36 0.00 0.00 175.35 176.64 3imm s THR 78 N 0.39 3.99 0.33 3.43 -4.23 -1.26 -2.27 115.64 116.02 3imm s THR 78 Ca -0.09 -0.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 3imm s THR 78 Cb -0.13 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 3imm s THR 78 CO 0.03 -0.30 0.13 -0.62 -0.54 0.00 0.00 174.62 173.32 3imm s ASP 79 N -4.21 4.70 0.08 3.99 2.15 -1.23 -0.97 116.67 121.19 3imm s ASP 79 Ca 0.48 -0.74 -0.33 0.00 0.43 0.00 0.00 52.55 52.38 3imm s ASP 79 Cb -0.10 -0.76 -0.12 0.00 -0.30 0.00 0.00 42.92 41.64 3imm s ASP 79 CO 0.37 -0.27 1.73 0.52 -0.17 0.00 0.00 175.17 177.35 3imm n VAL 80 N -1.13 0.25 -0.99 1.11 0.31 -1.26 -1.68 118.33 114.93 3imm n VAL 80 Ca -0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3imm n VAL 80 Cb 0.61 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3imm n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3imm n GLY 81 N 3.91 0.69 3.57 2.92 0.00 -1.26 -4.57 105.19 110.44 3imm n GLY 81 Ca 0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.74 3imm n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3imm n THR 82 N -2.62 1.44 -3.24 2.61 -1.04 -0.68 -4.73 114.28 106.03 3imm n THR 82 Ca 0.00 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.05 61.44 3imm n THR 82 Cb 0.00 -0.82 -0.07 0.00 -1.82 0.00 0.00 70.33 67.62 3imm n THR 82 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3imm s ASN 83 N -0.33 0.71 0.00 8.00 3.84 -1.26 -1.38 114.94 124.52 3imm s ASN 83 Ca 0.66 -2.71 0.00 0.00 0.21 0.00 0.00 52.86 51.02 3imm s ASN 83 Cb -0.80 0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.05 3imm s ASN 83 CO 0.56 -0.14 0.00 -0.24 -2.79 0.00 0.00 177.10 174.48 3imm n SER 84 N 2.90 0.38 0.00 -4.21 2.88 0.60 -4.65 113.62 111.51 3imm n SER 84 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3imm n SER 84 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3imm n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3imm n GLY 85 N 5.00 1.83 3.50 0.46 0.00 -1.26 -2.06 105.19 112.66 3imm n GLY 85 Ca 0.00 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3imm n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3imm s VAL 86 N -2.00 4.34 -0.18 1.61 1.01 0.12 -2.04 120.40 123.27 3imm s VAL 86 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3imm s VAL 86 Cb 0.00 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3imm s VAL 86 CO 0.00 0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.80 3imm s VAL 87 N 1.10 4.06 0.22 2.92 1.01 -0.02 0.55 120.40 130.24 3imm s VAL 87 Ca 0.04 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3imm s VAL 87 Cb -0.14 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3imm s VAL 87 CO 0.03 0.46 -0.05 0.68 0.00 0.00 0.00 175.10 176.22 3imm s VAL 88 N 0.61 1.25 -1.44 2.92 -7.23 0.25 -0.62 120.40 116.14 3imm s VAL 88 Ca -0.01 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 57.97 3imm s VAL 88 Cb -0.14 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.62 3imm s VAL 88 CO 0.02 -0.44 1.09 -1.22 -0.31 0.00 0.00 175.10 174.24 3imm n TYR 89 N -0.40 -2.60 -2.84 2.82 4.01 -1.12 -1.33 117.16 115.70 3imm n TYR 89 Ca -0.07 0.96 -0.42 0.00 -0.16 0.00 0.00 57.90 58.22 3imm n TYR 89 Cb 0.63 -4.52 -0.04 0.00 -0.31 0.00 0.00 39.34 35.10 3imm n TYR 89 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3imm n THR 91 N 5.45 0.49 -3.15 0.00 -2.24 -0.43 -0.60 114.28 113.80 3imm n THR 91 Ca 0.07 -0.69 0.05 0.00 -2.27 0.00 0.00 64.05 61.20 3imm n THR 91 Cb 0.47 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 3imm n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3imm s ASP 92 N -1.44 -1.12 0.25 3.42 -1.08 -1.26 -5.04 116.67 110.40 3imm s ASP 92 Ca 0.38 0.37 0.26 0.00 -0.52 0.00 0.00 52.55 53.04 3imm s ASP 92 Cb 0.22 1.80 0.75 0.00 -1.46 0.00 0.00 42.92 44.23 3imm s ASP 92 CO 0.30 -0.21 1.75 0.71 0.52 0.00 0.00 175.17 178.25 3imm h THR 93 N 5.59 0.00 0.00 1.71 1.35 -1.93 -2.43 112.91 117.20 3imm h THR 93 Ca -0.11 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3imm h THR 93 Cb 1.18 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3imm h THR 93 CO 0.09 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.44 3imm h LYS 94 N 0.00 0.00 -3.21 4.72 1.79 -2.01 -3.38 116.57 114.48 3imm h LYS 94 Ca 0.00 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.68 3imm h LYS 94 Cb 0.76 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.17 3imm h LYS 94 CO 0.00 0.00 1.06 -3.47 -1.08 0.00 0.00 179.45 175.96 3imm n ASP 95 N -4.64 5.97 0.06 0.86 2.03 -1.23 -4.78 116.55 114.81 3imm n ASP 95 Ca -0.00 -3.28 -0.03 0.00 0.52 0.00 0.00 54.79 52.00 3imm n ASP 95 Cb 0.01 -1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 39.00 3imm n ASP 95 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3imm h TRP 96 N 5.72 0.00 0.02 -0.67 5.08 -1.62 -3.36 115.95 121.12 3imm h TRP 96 Ca 0.25 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.24 3imm h TRP 96 Cb 0.66 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.79 3imm h TRP 96 CO 1.04 0.74 -0.18 0.82 -1.28 0.00 0.00 178.44 179.59 3imm h ILE 97 N 0.00 0.57 -0.15 0.12 2.04 -1.86 -2.09 117.51 116.14 3imm h ILE 97 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3imm h ILE 97 Cb 1.65 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3imm h ILE 97 CO 0.08 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.42 3imm n PRO 98 N -5.31 1.71 -2.32 2.37 -0.04 -1.26 -4.23 135.00 125.92 3imm n PRO 98 Ca -0.05 -1.06 -0.23 0.00 -0.04 0.00 0.00 63.50 62.12 3imm n PRO 98 Cb 0.23 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 3imm n PRO 98 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3imm n ASN 99 N 0.29 4.35 -3.62 3.54 3.02 -0.79 -4.91 115.26 117.14 3imm n ASN 99 Ca 0.16 -3.54 0.02 0.00 -0.03 0.00 0.00 54.58 51.19 3imm n ASN 99 Cb 0.33 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3imm n ASN 99 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3imm s SER 100 N -3.55 -0.05 -0.11 6.41 1.04 -1.17 -1.32 113.70 114.94 3imm s SER 100 Ca 0.46 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.77 3imm s SER 100 Cb 0.40 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 3imm s SER 100 CO -0.07 -0.29 -0.14 -0.69 0.98 0.00 0.00 173.24 173.04 3imm s VAL 101 N -2.40 3.03 -0.24 5.02 1.01 -0.44 -4.99 120.40 121.39 3imm s VAL 101 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3imm s VAL 101 Cb 0.05 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3imm s VAL 101 CO -0.04 0.54 -0.03 -0.70 0.00 0.00 0.00 175.10 174.88 3imm s GLU 102 N 0.09 3.13 -0.33 2.72 2.12 -1.26 -0.58 118.70 124.59 3imm s GLU 102 Ca -0.06 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.27 3imm s GLU 102 Cb -0.15 -3.07 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 3imm s GLU 102 CO 0.05 -0.32 0.66 0.42 -0.54 0.00 0.00 175.26 175.53 3imm s ILE 103 N 1.43 4.89 0.36 -3.70 1.09 0.19 -0.55 121.20 124.91 3imm s ILE 103 Ca 0.03 0.82 -0.28 0.00 -1.10 0.00 0.00 60.65 60.12 3imm s ILE 103 Cb -0.16 -4.06 -0.11 0.00 -1.06 0.00 0.00 42.46 37.08 3imm s ILE 103 CO -0.03 -0.23 1.43 -1.10 -0.10 0.00 0.00 174.94 174.91 3imm s GLN 104 N 2.72 4.20 -0.20 2.79 -1.52 -0.11 -0.70 119.66 126.84 3imm s GLN 104 Ca 0.26 2.45 0.01 0.00 -1.95 0.00 0.00 55.36 56.13 3imm s GLN 104 Cb -0.15 -3.01 0.04 0.00 -0.22 0.00 0.00 33.01 29.68 3imm s GLN 104 CO 0.13 -0.42 -0.13 0.42 -0.25 0.00 0.00 175.29 175.05 3imm s ILE 105 N -1.07 1.80 0.02 1.08 1.01 -0.87 -1.43 121.20 121.73 3imm s ILE 105 Ca 0.52 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 3imm s ILE 105 Cb -0.44 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3imm s ILE 105 CO 0.59 0.24 -0.02 0.00 0.00 0.00 0.00 174.94 175.76 3imm s ALA 106 N 1.34 0.07 -1.05 9.38 0.00 -1.26 -0.29 121.76 129.96 3imm s ALA 106 Ca -0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 3imm s ALA 106 Cb -0.16 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.11 3imm s ALA 106 CO -0.09 -0.13 1.60 0.34 0.00 0.00 0.00 175.76 177.48 3imm s ASP 107 N -1.20 6.25 0.65 0.00 2.15 -0.48 -4.34 116.67 119.69 3imm s ASP 107 Ca -0.13 -1.47 0.41 0.00 0.43 0.00 0.00 52.55 51.78 3imm s ASP 107 Cb -0.08 -2.57 2.26 0.00 -0.30 0.00 0.00 42.92 42.23 3imm s ASP 107 CO -0.01 -1.75 2.34 0.44 -0.17 0.00 0.00 175.17 176.02 3imm h ASP 108 N 9.73 0.00 0.41 -0.34 5.19 -1.89 -2.95 116.42 126.56 3imm h ASP 108 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 3imm h ASP 108 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3imm h ASP 108 CO 1.39 0.00 -0.05 1.41 -3.12 0.00 0.00 179.24 178.87 3imm n HIS 109 N -3.28 0.00 -3.93 4.55 8.25 -1.26 -3.37 115.22 116.18 3imm n HIS 109 Ca -0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 3imm n HIS 109 Cb 0.08 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 3imm n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imm h GLU 111 N 3.62 0.30 -0.55 0.00 3.07 -1.90 0.41 114.58 119.53 3imm h GLU 111 Ca -0.48 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.33 3imm h GLU 111 Cb 1.18 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 3imm h GLU 111 CO 0.70 0.20 0.19 -0.22 -1.40 0.00 0.00 179.01 178.48 3imm h LYS 112 N 0.31 0.84 0.00 2.33 1.63 -1.93 -2.99 116.57 116.76 3imm h LYS 112 Ca 0.40 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3imm h LYS 112 Cb 1.12 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 3imm h LYS 112 CO -0.11 0.75 -1.81 0.91 -3.45 0.00 0.00 179.45 175.73 3imm n TRP 113 N -4.48 0.00 0.08 1.91 5.03 -0.76 -4.42 117.44 114.80 3imm n TRP 113 Ca 0.03 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.42 3imm n TRP 113 Cb 0.18 -0.41 -0.08 0.00 -1.03 0.00 0.00 31.31 29.97 3imm n TRP 113 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 3imm h GLY 114 N 4.06 -0.18 -1.24 6.99 0.00 -0.22 -3.40 103.07 109.08 3imm h GLY 114 Ca 0.00 0.06 -0.50 0.00 0.00 0.00 0.00 47.33 46.89 3imm h GLY 114 CO 0.00 -0.06 0.39 -1.31 0.00 0.00 0.00 176.54 175.55 3imm s ASN 115 N -5.26 5.47 0.00 0.19 0.01 -1.13 -4.97 114.94 109.25 3imm s ASN 115 Ca -0.15 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.43 3imm s ASN 115 Cb 0.04 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.38 3imm s ASN 115 CO 0.63 -1.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 3imm n GLY 116 N -2.39 2.78 3.79 0.66 0.00 -1.26 -4.72 105.19 104.06 3imm n GLY 116 Ca 0.07 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 3imm n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imm s LYS 117 N -2.48 3.88 0.29 1.61 1.02 -1.26 -4.94 119.74 117.87 3imm s LYS 117 Ca 0.00 1.41 -0.00 0.00 0.02 0.00 0.00 55.97 57.40 3imm s LYS 117 Cb 0.00 -2.21 0.67 0.00 -0.52 0.00 0.00 37.83 35.77 3imm s LYS 117 CO 0.00 -0.37 1.59 -1.35 -0.92 0.00 0.00 175.35 174.30 3imm h PRO 118 N 1.80 0.05 0.00 -1.68 0.11 -1.96 -0.68 132.00 129.64 3imm h PRO 118 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3imm h PRO 118 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3imm h PRO 118 CO 0.60 0.03 0.00 2.48 -0.21 0.00 0.00 178.00 180.90 3imm n TYR 119 N -5.44 0.00 0.95 0.65 0.18 -1.26 -2.31 117.16 109.93 3imm n TYR 119 Ca 0.21 0.00 0.10 0.00 1.88 0.00 0.00 57.90 60.09 3imm n TYR 119 Cb 0.68 -0.08 -0.04 0.00 -0.38 0.00 0.00 39.34 39.53 3imm n TYR 119 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3imm n GLU 120 N -1.08 1.02 -2.52 -3.48 1.02 -0.26 -3.54 120.64 111.80 3imm n GLU 120 Ca 0.12 -0.69 -0.23 0.00 -0.02 0.00 0.00 57.16 56.34 3imm n GLU 120 Cb 0.08 -1.45 0.06 0.00 -0.02 0.00 0.00 31.44 30.11 3imm n GLU 120 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3imm s LYS 121 N -2.53 2.26 0.19 3.49 1.02 -0.98 -4.77 119.74 118.42 3imm s LYS 121 Ca 0.15 -0.74 -0.32 0.00 0.02 0.00 0.00 55.97 55.08 3imm s LYS 121 Cb 0.17 -2.38 -0.11 0.00 -0.52 0.00 0.00 37.83 34.99 3imm s LYS 121 CO 0.63 -1.01 1.66 0.00 -0.92 0.00 0.00 175.35 175.71 3imm n GLY 123 N 3.89 1.33 3.77 0.00 0.00 -0.51 -4.78 105.19 108.89 3imm n GLY 123 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3imm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imm s ALA 124 N -2.31 2.40 -0.48 4.61 0.00 -0.86 -4.58 121.76 120.54 3imm s ALA 124 Ca 0.00 0.44 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 3imm s ALA 124 Cb 0.00 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.86 3imm s ALA 124 CO 0.00 -1.44 0.73 0.42 0.00 0.00 0.00 175.76 175.46 3imm s ILE 125 N -2.55 4.71 0.11 0.00 -1.09 0.28 -0.93 121.20 121.73 3imm s ILE 125 Ca 0.65 0.02 -0.35 0.00 -2.23 0.00 0.00 60.65 58.74 3imm s ILE 125 Cb -0.19 -4.33 -0.15 0.00 -1.58 0.00 0.00 42.46 36.21 3imm s ILE 125 CO 0.47 -0.79 1.47 0.00 -1.23 0.00 0.00 174.94 174.86 3imm n TYR 126 N 6.57 1.90 -0.91 3.97 9.36 0.29 -1.25 117.16 137.09 3imm n TYR 126 Ca -0.02 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.65 3imm n TYR 126 Cb 0.47 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 3imm n TYR 126 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3imm n GLY 127 N 3.02 0.79 0.18 2.98 0.00 -1.23 -4.72 105.19 106.22 3imm n GLY 127 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3imm n GLY 127 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3imm n HIS 128 N -2.05 0.00 -3.66 1.61 8.25 -0.38 -4.36 115.22 114.64 3imm n HIS 128 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3imm n HIS 128 Cb 0.01 0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 3imm n HIS 128 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3imm s LEU 129 N -3.77 -0.53 0.61 2.41 2.96 -0.49 -4.83 118.68 115.03 3imm s LEU 129 Ca 0.00 0.89 -0.15 0.00 -0.22 0.00 0.00 54.13 54.65 3imm s LEU 129 Cb 0.00 1.19 -0.03 0.00 0.50 0.00 0.00 46.19 47.86 3imm s LEU 129 CO 0.00 -0.23 1.06 -0.83 -1.32 0.00 0.00 176.35 175.03 3imm s GLY 130 N 2.50 2.11 0.62 7.98 0.00 -1.26 -0.55 107.32 118.72 3imm s GLY 130 Ca -0.01 0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 3imm s GLY 130 CO -0.12 0.72 1.07 0.00 0.00 0.00 0.00 173.10 174.78 3imm s ALA 131 N -2.46 2.66 0.56 3.20 0.00 -1.25 -4.83 121.76 119.63 3imm s ALA 131 Ca 0.64 0.40 0.24 0.00 0.00 0.00 0.00 51.96 53.23 3imm s ALA 131 Cb -0.17 -3.25 1.55 0.00 0.00 0.00 0.00 23.12 21.26 3imm s ALA 131 CO 0.38 -0.98 2.18 -0.39 0.00 0.00 0.00 175.76 176.95 3imm h VAL 132 N 0.19 0.73 -2.19 0.00 -1.51 -0.88 -3.43 116.25 109.16 3imm h VAL 132 Ca -0.46 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.96 3imm h VAL 132 Cb 1.23 0.96 -0.22 0.00 -2.13 0.00 0.00 31.29 31.13 3imm h VAL 132 CO 0.56 0.00 -0.00 -1.58 -1.23 0.00 0.00 177.57 175.32 3imm s GLN 133 N -4.84 0.70 0.74 5.19 2.00 -1.26 -5.16 119.66 117.03 3imm s GLN 133 Ca -0.05 0.97 -0.03 0.00 -2.00 0.00 0.00 55.36 54.24 3imm s GLN 133 Cb 0.16 0.27 0.12 0.00 0.80 0.00 0.00 33.01 34.36 3imm s GLN 133 CO 0.61 -0.11 1.02 0.16 -0.50 0.00 0.00 175.29 176.47 3imm s ASP 134 N 0.78 4.28 -1.75 6.67 -4.77 -1.26 -4.43 116.67 116.19 3imm s ASP 134 Ca -0.04 -0.19 0.00 0.00 -3.30 0.00 0.00 52.55 49.03 3imm s ASP 134 Cb -0.05 -0.20 0.00 0.00 -1.09 0.00 0.00 42.92 41.58 3imm s ASP 134 CO -0.06 -1.91 0.00 0.29 0.70 0.00 0.00 175.17 174.19 3imm n LYS 135 N -2.93 -1.70 0.09 2.11 5.02 -1.26 -4.88 118.16 114.61 3imm n LYS 135 Ca 0.14 0.99 -0.19 0.00 -2.02 0.00 0.00 58.31 57.23 3imm n LYS 135 Cb 0.60 -5.57 -0.11 0.00 -0.02 0.00 0.00 35.03 29.94 3imm n LYS 135 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3imm h VAL 136 N 0.00 1.35 -3.98 -0.18 2.07 -1.93 -3.44 116.25 110.15 3imm h VAL 136 Ca -0.44 -2.56 -0.56 0.00 0.82 0.00 0.00 66.70 63.96 3imm h VAL 136 Cb 1.32 2.65 0.15 0.00 -1.52 0.00 0.00 31.29 33.89 3imm h VAL 136 CO 0.55 0.77 0.52 0.55 0.02 0.00 0.00 177.57 179.98 3imm n VAL 137 N -3.73 4.13 -2.35 2.57 3.14 -1.26 -4.83 118.33 115.99 3imm n VAL 137 Ca -0.11 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.53 3imm n VAL 137 Cb 0.95 -1.56 0.08 0.00 -1.06 0.00 0.00 33.84 32.25 3imm n VAL 137 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3imm s LYS 138 N -3.00 2.01 0.68 1.45 1.02 -1.26 -4.93 119.74 115.71 3imm s LYS 138 Ca 0.75 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 56.04 3imm s LYS 138 Cb -0.41 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3imm s LYS 138 CO 0.46 -1.28 1.10 0.15 -0.92 0.00 0.00 175.35 174.86 3imm s LYS 139 N -5.18 2.70 0.17 1.68 1.02 -1.26 -4.88 119.74 113.99 3imm s LYS 139 Ca 0.62 1.32 -0.31 0.00 0.02 0.00 0.00 55.97 57.63 3imm s LYS 139 Cb -0.09 -1.94 -0.17 0.00 -0.52 0.00 0.00 37.83 35.11 3imm s LYS 139 CO 0.44 -1.32 0.80 -2.30 -0.92 0.00 0.00 175.35 172.05 3imm n PRO 140 N -2.67 0.41 0.00 -1.68 -0.02 -1.26 -2.30 135.00 127.49 3imm n PRO 140 Ca 0.10 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3imm n PRO 140 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3imm n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imm n GLY 141 N 1.79 1.13 3.90 -1.23 0.00 -0.14 -4.97 105.19 105.66 3imm n GLY 141 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3imm n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imm s GLU 142 N -0.81 3.48 0.32 1.61 0.41 -0.97 -4.98 118.70 117.76 3imm s GLU 142 Ca 0.00 -0.22 -0.27 0.00 -0.41 0.00 0.00 54.97 54.07 3imm s GLU 142 Cb 0.00 -3.10 -0.09 0.00 -1.78 0.00 0.00 34.13 29.15 3imm s GLU 142 CO 0.00 0.68 1.00 -1.58 -0.49 0.00 0.00 175.26 174.87 3imm s TRP 143 N -1.28 3.61 0.14 1.61 0.52 -1.26 -4.21 118.94 118.07 3imm s TRP 143 Ca 0.26 1.76 0.10 0.00 0.02 0.00 0.00 56.10 58.23 3imm s TRP 143 Cb -0.13 -3.05 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 3imm s TRP 143 CO 0.16 -0.10 -0.23 -0.80 0.02 0.00 0.00 176.95 176.00 3imm s ASN 144 N -1.40 2.99 0.56 2.95 0.01 0.99 -4.91 114.94 116.14 3imm s ASN 144 Ca 0.50 -0.76 0.06 0.00 -0.71 0.00 0.00 52.86 51.94 3imm s ASN 144 Cb -0.23 -0.19 0.06 0.00 0.41 0.00 0.00 41.25 41.29 3imm s ASN 144 CO 0.29 0.10 0.49 -1.00 -1.51 0.00 0.00 177.10 175.48 3imm s HIS 145 N -1.33 1.47 -0.28 2.20 3.76 -1.26 -1.49 115.29 118.36 3imm s HIS 145 Ca 0.13 -0.85 -0.22 0.00 -0.15 0.00 0.00 55.06 53.96 3imm s HIS 145 Cb -0.09 -1.95 0.12 0.00 1.11 0.00 0.00 32.58 31.77 3imm s HIS 145 CO 0.06 -0.66 0.99 0.50 -0.85 0.00 0.00 174.74 174.78 3imm s ARG 147 N -4.38 0.49 -0.14 1.40 6.06 0.65 -0.57 118.95 122.46 3imm s ARG 147 Ca 0.38 0.66 -0.01 0.00 -2.50 0.00 0.00 55.73 54.26 3imm s ARG 147 Cb -0.03 0.20 0.04 0.00 0.06 0.00 0.00 34.95 35.22 3imm s ARG 147 CO 0.24 -0.07 -0.05 0.42 -2.50 0.00 0.00 175.30 173.34 3imm s ILE 148 N 0.59 0.98 -0.21 4.11 1.01 -0.55 -0.23 121.20 126.90 3imm s ILE 148 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 3imm s ILE 148 Cb -0.05 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3imm s ILE 148 CO -0.09 0.21 0.19 -0.54 0.00 0.00 0.00 174.94 174.71 3imm s LYS 149 N 1.70 4.14 -0.31 2.79 1.02 -1.26 -0.59 119.74 127.23 3imm s LYS 149 Ca 0.03 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.86 3imm s LYS 149 Cb -0.14 -3.49 0.10 0.00 -0.52 0.00 0.00 37.83 33.77 3imm s LYS 149 CO -0.08 0.14 0.08 0.00 -0.92 0.00 0.00 175.35 174.57 3imm s ALA 151 N 1.44 2.46 0.00 0.00 0.00 0.00 -0.33 121.76 125.33 3imm s ALA 151 Ca 0.09 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 49.52 3imm s ALA 151 Cb -0.18 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3imm s ALA 151 CO -0.19 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.10 3imm n GLY 152 N 3.91 3.64 0.00 0.00 0.00 -1.26 -1.83 105.19 109.65 3imm n GLY 152 Ca 0.04 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3imm n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3imm n GLN 153 N 14.00 0.36 -3.62 1.61 6.02 -1.26 -4.70 117.38 129.79 3imm n GLN 153 Ca 0.00 0.07 -0.38 0.00 -0.01 0.00 0.00 57.00 56.68 3imm n GLN 153 Cb 0.00 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 3imm n GLN 153 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3imm s HIS 154 N -2.48 3.19 0.48 1.08 3.76 -0.76 -4.13 115.29 116.43 3imm s HIS 154 Ca 0.22 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.11 3imm s HIS 154 Cb 0.14 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.46 3imm s HIS 154 CO 0.31 -0.23 0.05 0.42 -0.85 0.00 0.00 174.74 174.45 3imm s ILE 155 N 1.72 0.90 -0.30 0.60 1.01 -1.26 -0.82 121.20 123.06 3imm s ILE 155 Ca 0.07 -2.00 -0.14 0.00 0.00 0.00 0.00 60.65 58.58 3imm s ILE 155 Cb -0.16 -2.19 0.15 0.00 0.01 0.00 0.00 42.46 40.27 3imm s ILE 155 CO 0.09 0.00 0.89 -0.69 0.00 0.00 0.00 174.94 175.23 3imm s VAL 157 N -3.00 -0.51 -0.25 2.92 1.01 0.54 -4.26 120.40 116.84 3imm s VAL 157 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 3imm s VAL 157 Cb 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3imm s VAL 157 CO 0.07 0.00 -0.03 -0.63 0.00 0.00 0.00 175.10 174.51 3imm s ILE 158 N 2.33 3.14 -0.20 2.22 1.01 0.68 -1.67 121.20 128.71 3imm s ILE 158 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3imm s ILE 158 Cb -0.07 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3imm s ILE 158 CO -0.18 0.21 -0.16 -0.22 0.00 0.00 0.00 174.94 174.60 3imm s LEU 159 N 1.38 2.52 -1.58 2.97 2.96 -0.21 -0.25 118.68 126.46 3imm s LEU 159 Ca 0.01 -0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 52.99 3imm s LEU 159 Cb -0.16 -1.53 0.12 0.00 0.50 0.00 0.00 46.19 45.11 3imm s LEU 159 CO -0.03 -0.05 0.86 0.59 -1.32 0.00 0.00 176.35 176.41 3imm n ASN 160 N 4.61 -4.17 0.00 3.68 3.02 0.26 -1.57 115.26 121.09 3imm n ASN 160 Ca -0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3imm n ASN 160 Cb 0.48 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 3imm n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3imm n GLY 161 N -1.52 1.26 3.59 7.41 0.00 -1.26 -5.01 105.19 109.66 3imm n GLY 161 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3imm n GLY 161 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3imm s LYS 162 N -0.35 3.89 -0.51 1.61 2.20 -0.61 -5.04 119.74 120.93 3imm s LYS 162 Ca 0.00 -0.39 -0.28 0.00 -0.36 0.00 0.00 55.97 54.94 3imm s LYS 162 Cb 0.00 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3imm s LYS 162 CO 0.00 0.25 1.62 0.15 -0.36 0.00 0.00 175.35 177.01 3imm s LYS 163 N 0.41 3.15 -0.15 4.03 1.02 -1.26 -1.04 119.74 125.90 3imm s LYS 163 Ca 0.01 0.75 0.19 0.00 0.02 0.00 0.00 55.97 56.94 3imm s LYS 163 Cb -0.13 -4.20 -0.27 0.00 -0.52 0.00 0.00 37.83 32.71 3imm s LYS 163 CO 0.01 -2.10 0.17 1.33 -0.92 0.00 0.00 175.35 173.84 3imm n VAL 164 N 7.09 1.01 -3.70 3.17 0.24 -0.67 -4.86 118.33 120.62 3imm n VAL 164 Ca 0.17 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.60 3imm n VAL 164 Cb 0.49 -0.35 -0.12 0.00 -1.47 0.00 0.00 33.84 32.39 3imm n VAL 164 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3imm s THR 165 N -2.74 -0.17 0.13 3.34 2.01 -1.21 -0.15 115.64 116.85 3imm s THR 165 Ca -0.09 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 3imm s THR 165 Cb 0.08 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3imm s THR 165 CO 0.83 0.07 0.02 -0.70 -0.69 0.00 0.00 174.62 174.16 3imm s GLU 166 N 1.67 0.93 0.35 4.92 2.12 -1.26 -0.34 118.70 127.09 3imm s GLU 166 Ca -0.06 -1.43 -0.14 0.00 0.36 0.00 0.00 54.97 53.69 3imm s GLU 166 Cb -0.10 0.07 0.06 0.00 0.26 0.00 0.00 34.13 34.41 3imm s GLU 166 CO -0.10 -0.19 0.76 -3.47 -0.54 0.00 0.00 175.26 171.72 3imm n ASP 168 N -0.11 -2.12 0.00 -1.70 -0.08 -1.26 -5.00 116.55 106.29 3imm n ASP 168 Ca -0.07 -2.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.77 3imm n ASP 168 Cb 0.63 3.52 0.00 0.00 2.34 0.00 0.00 41.12 47.61 3imm n ASP 168 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3imm n SER 170 N -1.48 0.00 0.17 1.67 3.41 -1.26 -4.22 113.62 111.90 3imm n SER 170 Ca -0.08 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 3imm n SER 170 Cb 0.56 -0.07 0.48 0.00 -0.26 0.00 0.00 64.21 64.91 3imm n SER 170 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3imm h LYS 171 N 0.00 0.00 -3.49 4.33 6.56 -1.96 -3.37 116.57 118.64 3imm h LYS 171 Ca 0.00 0.00 -0.75 0.00 -1.06 0.00 0.00 60.65 58.84 3imm h LYS 171 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 31.53 3imm h LYS 171 CO 0.00 0.00 2.25 0.91 -2.06 0.00 0.00 179.45 180.55 3imm n TRP 172 N -2.52 2.97 0.48 -1.35 8.01 -1.26 -4.65 117.44 119.12 3imm n TRP 172 Ca 0.03 -2.82 0.12 0.00 -1.31 0.00 0.00 57.50 53.52 3imm n TRP 172 Cb 0.33 -2.03 0.28 0.00 -2.01 0.00 0.00 31.31 27.87 3imm n TRP 172 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 3imm h THR 173 N 3.67 0.00 -3.05 -0.99 1.35 -1.89 -1.12 112.91 110.87 3imm h THR 173 Ca 0.45 -0.65 -0.65 0.00 -0.55 0.00 0.00 66.41 65.01 3imm h THR 173 Cb 0.60 1.55 -0.12 0.00 -1.73 0.00 0.00 68.15 68.44 3imm h THR 173 CO 1.66 0.00 -0.54 -0.55 -0.25 0.00 0.00 175.52 175.84 3imm s SER 174 N -4.97 5.85 0.00 5.36 0.15 -1.26 -4.87 113.70 113.96 3imm s SER 174 Ca 0.08 0.25 0.28 0.00 0.70 0.00 0.00 55.95 57.27 3imm s SER 174 Cb 0.10 -1.88 1.12 0.00 -1.71 0.00 0.00 66.02 63.65 3imm s SER 174 CO 0.65 0.32 1.78 0.61 1.20 0.00 0.00 173.24 177.80 3imm n GLY 175 N 2.57 -0.23 0.01 9.45 0.00 -1.26 -4.32 105.19 111.41 3imm n GLY 175 Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3imm n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3imm n THR 176 N -0.10 0.09 -4.52 2.61 -2.24 -1.26 -4.16 114.28 104.69 3imm n THR 176 Ca 0.19 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 3imm n THR 176 Cb 0.32 -0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 3imm n THR 176 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3imm s LYS 177 N -2.18 1.09 0.76 -0.78 -0.14 -1.26 -1.42 119.74 115.81 3imm s LYS 177 Ca -0.01 -0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 54.08 3imm s LYS 177 Cb 0.02 -1.02 0.04 0.00 -1.68 0.00 0.00 37.83 35.19 3imm s LYS 177 CO 0.14 0.20 1.09 -0.80 -0.76 0.00 0.00 175.35 175.22 3imm s ASN 178 N -0.03 4.93 0.26 2.83 0.01 0.90 -4.33 114.94 119.50 3imm s ASN 178 Ca 0.00 1.25 -0.02 0.00 -0.71 0.00 0.00 52.86 53.38 3imm s ASN 178 Cb -0.07 -2.02 0.49 0.00 0.41 0.00 0.00 41.25 40.05 3imm s ASN 178 CO 0.00 -1.69 1.79 -0.65 -1.51 0.00 0.00 177.10 175.04 3imm h PRO 179 N -0.89 0.71 0.00 -0.60 0.11 -1.88 0.12 132.00 129.56 3imm h PRO 179 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3imm h PRO 179 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3imm h PRO 179 CO 0.61 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 3imm n ASP 180 N -4.79 0.00 0.00 -2.05 5.68 -1.26 -4.85 116.55 109.27 3imm n ASP 180 Ca 0.16 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 3imm n ASP 180 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 3imm n ASP 180 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3imm n GLY 181 N -0.18 1.00 3.83 6.12 0.00 0.03 -5.05 105.19 110.94 3imm n GLY 181 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3imm n GLY 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imm s SER 182 N -3.00 6.80 0.25 1.61 1.04 -1.26 -4.69 113.70 114.45 3imm s SER 182 Ca 0.00 1.62 -0.30 0.00 0.48 0.00 0.00 55.95 57.75 3imm s SER 182 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.50 3imm s SER 182 CO 0.00 -0.45 1.38 -1.81 0.98 0.00 0.00 173.24 173.34 3imm s ASP 183 N -2.56 6.74 0.14 7.02 1.01 -1.26 -0.07 116.67 127.68 3imm s ASP 183 Ca 0.60 2.61 -0.22 0.00 0.71 0.00 0.00 52.55 56.25 3imm s ASP 183 Cb -0.09 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 3imm s ASP 183 CO 0.21 -0.62 0.67 -0.63 0.21 0.00 0.00 175.17 175.01 3imm s ILE 184 N -0.21 4.57 0.29 0.77 1.01 -0.51 -4.81 121.20 122.31 3imm s ILE 184 Ca 0.57 1.41 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 3imm s ILE 184 Cb -0.40 -3.98 -0.14 0.00 0.01 0.00 0.00 42.46 37.95 3imm s ILE 184 CO 0.44 0.48 1.00 -2.65 0.00 0.00 0.00 174.94 174.21 3imm n PRO 185 N 1.49 1.33 0.31 2.79 -0.02 -1.26 -4.85 135.00 134.78 3imm n PRO 185 Ca -0.07 0.47 0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3imm n PRO 185 Cb 0.50 -1.84 0.95 0.00 -0.02 0.00 0.00 33.50 33.09 3imm n PRO 185 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3imm h SER 186 N 1.95 0.00 -0.01 2.55 4.64 -1.95 -1.79 113.55 118.94 3imm h SER 186 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3imm h SER 186 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3imm h SER 186 CO 0.60 0.00 -0.00 -2.67 -0.87 0.00 0.00 176.83 173.89 3imm n TRP 187 N -3.10 0.00 -2.80 4.77 2.14 -1.26 -4.19 117.44 113.00 3imm n TRP 187 Ca -0.01 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.28 3imm n TRP 187 Cb 0.19 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.66 3imm n TRP 187 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3imm n LEU 188 N -0.06 4.78 -0.06 5.67 4.77 -0.67 -4.74 117.00 126.69 3imm n LEU 188 Ca 0.20 -5.55 0.15 0.00 -0.03 0.00 0.00 56.01 50.78 3imm n LEU 188 Cb 0.31 -0.58 0.73 0.00 -2.33 0.00 0.00 43.42 41.55 3imm n LEU 188 CO 0.17 2.30 0.98 -0.81 -1.33 0.00 0.00 177.39 178.70 3imm n PRO 189 N -0.30 0.68 -2.54 3.23 -0.04 -1.26 -4.77 135.00 130.00 3imm n PRO 189 Ca 0.34 -0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.26 3imm n PRO 189 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 3imm n PRO 189 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3imm s LYS 190 N -2.41 4.34 0.12 0.54 1.02 -1.26 -4.24 119.74 117.84 3imm s LYS 190 Ca 0.33 1.56 -0.32 0.00 0.02 0.00 0.00 55.97 57.55 3imm s LYS 190 Cb 0.21 -3.60 -0.12 0.00 -0.52 0.00 0.00 37.83 33.80 3imm s LYS 190 CO 0.45 -0.48 1.76 -2.30 -0.92 0.00 0.00 175.35 173.86 3imm n PRO 191 N 5.53 2.55 0.33 -1.68 -0.02 -1.26 -4.65 135.00 135.79 3imm n PRO 191 Ca 0.11 0.93 0.22 0.00 -2.02 0.00 0.00 63.50 62.73 3imm n PRO 191 Cb 0.47 -2.78 1.11 0.00 -0.02 0.00 0.00 33.50 32.28 3imm n PRO 191 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3imm h PHE 192 N 7.74 0.00 0.00 6.00 -1.00 -1.76 -0.78 116.94 127.14 3imm h PHE 192 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 3imm h PHE 192 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 3imm h PHE 192 CO 0.74 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 177.44 3imm h ALA 193 N 2.00 1.00 -0.02 2.45 0.00 -1.51 -2.92 119.26 120.27 3imm h ALA 193 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3imm h ALA 193 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3imm h ALA 193 CO 0.00 0.00 -0.06 0.39 0.00 0.00 0.00 179.25 179.58 3imm n GLU 194 N -3.01 1.13 -2.52 0.00 1.02 -0.31 -4.77 120.64 112.20 3imm n GLU 194 Ca -0.00 -1.19 -0.41 0.00 -0.02 0.00 0.00 57.16 55.54 3imm n GLU 194 Cb 0.24 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 3imm n GLU 194 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3imm s LEU 195 N -1.30 4.49 0.67 -4.62 2.96 -1.10 -5.01 118.68 114.76 3imm s LEU 195 Ca 0.15 2.09 -0.17 0.00 -0.22 0.00 0.00 54.13 55.98 3imm s LEU 195 Cb 0.11 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 3imm s LEU 195 CO 0.21 -0.22 0.91 -2.65 -1.32 0.00 0.00 176.35 173.28 3imm n PRO 196 N 2.37 0.65 -1.66 0.98 -0.02 -1.26 -4.94 135.00 131.12 3imm n PRO 196 Ca 0.03 0.27 -0.17 0.00 -2.02 0.00 0.00 63.50 61.61 3imm n PRO 196 Cb 0.46 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 3imm n PRO 196 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3imm n THR 197 N -2.15 2.45 -3.78 3.45 -2.24 -1.26 -4.92 114.28 105.83 3imm n THR 197 Ca 0.13 -3.97 -0.13 0.00 -2.27 0.00 0.00 64.05 57.81 3imm n THR 197 Cb 0.49 -0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 3imm n THR 197 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3imm s LYS 198 N -3.51 0.55 0.00 -0.78 2.20 -1.26 -4.61 119.74 112.32 3imm s LYS 198 Ca 0.48 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 3imm s LYS 198 Cb 0.40 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.97 3imm s LYS 198 CO 0.01 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 3imm n GLY 199 N 1.79 -1.18 3.80 5.54 0.00 -0.90 -4.43 105.19 109.81 3imm n GLY 199 Ca -0.19 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3imm n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3imm s PHE 200 N -3.00 2.95 -0.04 1.61 0.08 0.23 0.03 117.98 119.84 3imm s PHE 200 Ca 0.00 1.47 0.06 0.00 0.12 0.00 0.00 56.93 58.57 3imm s PHE 200 Cb 0.00 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.49 3imm s PHE 200 CO 0.00 -1.37 -0.22 0.42 -0.10 0.00 0.00 175.22 173.95 3imm s ILE 201 N -2.93 2.41 0.09 0.64 1.01 -1.26 -1.41 121.20 119.75 3imm s ILE 201 Ca 0.60 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3imm s ILE 201 Cb -0.15 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3imm s ILE 201 CO 0.53 0.58 -0.06 -0.83 0.00 0.00 0.00 174.94 175.15 3imm s GLY 202 N -0.48 0.72 -0.07 6.18 0.00 0.21 -0.69 107.32 113.18 3imm s GLY 202 Ca 0.06 -1.27 0.05 0.00 0.00 0.00 0.00 44.72 43.55 3imm s GLY 202 CO 0.01 -1.37 -0.21 1.08 0.00 0.00 0.00 173.10 172.61 3imm s LEU 203 N -2.87 2.31 0.41 0.66 1.43 0.16 -0.84 118.68 119.94 3imm s LEU 203 Ca 0.09 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 3imm s LEU 203 Cb 0.04 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 3imm s LEU 203 CO -0.05 0.25 0.82 -1.10 0.23 0.00 0.00 176.35 176.50 3imm s GLN 204 N -0.18 3.89 0.00 1.70 -0.21 -0.86 -1.18 119.66 122.81 3imm s GLN 204 Ca -0.02 0.65 0.00 0.00 0.02 0.00 0.00 55.36 56.01 3imm s GLN 204 Cb -0.14 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.54 3imm s GLN 204 CO 0.03 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 3imm n GLY 205 N -1.11 1.70 3.70 3.09 0.00 -1.24 -4.60 105.19 106.73 3imm n GLY 205 Ca 0.04 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 3imm n GLY 205 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3imm n LYS 206 N 0.00 2.19 -3.93 1.61 4.81 0.36 -4.67 118.16 118.53 3imm n LYS 206 Ca 0.00 0.77 -0.30 0.00 -0.87 0.00 0.00 58.31 57.91 3imm n LYS 206 Cb 0.00 -2.40 -0.15 0.00 0.02 0.00 0.00 35.03 32.50 3imm n LYS 206 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3imm s HIS 207 N -0.75 2.52 0.00 5.64 5.65 -0.95 -4.07 115.29 123.34 3imm s HIS 207 Ca 0.59 -1.92 0.00 0.00 0.25 0.00 0.00 55.06 53.98 3imm s HIS 207 Cb -0.58 -1.77 0.00 0.00 -1.18 0.00 0.00 32.58 29.06 3imm s HIS 207 CO 0.58 -0.81 0.00 0.41 -0.65 0.00 0.00 174.74 174.27 3imm n GLY 208 N 4.63 2.98 0.75 1.59 0.00 -1.26 -2.15 105.19 111.73 3imm n GLY 208 Ca -0.09 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3imm n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3imm n ASP 209 N 6.56 2.31 -4.55 1.61 8.00 -1.26 -4.92 116.55 124.29 3imm n ASP 209 Ca 0.00 -1.77 -0.41 0.00 0.71 0.00 0.00 54.79 53.32 3imm n ASP 209 Cb 0.00 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 40.95 3imm n ASP 209 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3imm s SER 210 N -1.82 6.23 0.96 -2.24 0.01 -0.91 -5.03 113.70 110.90 3imm s SER 210 Ca 0.34 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.29 3imm s SER 210 Cb 0.20 -2.22 0.19 0.00 0.21 0.00 0.00 66.02 64.39 3imm s SER 210 CO 0.31 -0.39 1.26 -0.76 0.41 0.00 0.00 173.24 174.07 3imm s LEU 211 N 2.16 2.41 -0.25 2.44 1.43 -1.26 -2.23 118.68 123.38 3imm s LEU 211 Ca 0.14 0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.48 3imm s LEU 211 Cb -0.16 -2.54 0.07 0.00 0.03 0.00 0.00 46.19 43.59 3imm s LEU 211 CO 0.12 -2.74 0.65 -0.51 0.23 0.00 0.00 176.35 174.10 3imm s ILE 212 N -3.70 -0.00 0.02 -0.59 1.10 -1.26 -3.47 121.20 113.29 3imm s ILE 212 Ca 0.71 0.01 0.04 0.00 -0.51 0.00 0.00 60.65 60.90 3imm s ILE 212 Cb -0.06 -0.91 -0.02 0.00 0.15 0.00 0.00 42.46 41.62 3imm s ILE 212 CO 0.53 0.00 -0.13 0.26 -2.11 0.00 0.00 174.94 173.49 3imm s TRP 213 N 0.79 1.17 0.18 3.50 0.51 -0.96 -3.37 118.94 120.75 3imm s TRP 213 Ca -0.04 -0.31 0.08 0.00 -2.12 0.00 0.00 56.10 53.71 3imm s TRP 213 Cb -0.05 -0.71 -0.04 0.00 -0.81 0.00 0.00 33.47 31.86 3imm s TRP 213 CO -0.06 0.01 -0.16 -0.06 -0.51 0.00 0.00 176.95 176.18 3imm s PHE 214 N -0.69 1.69 0.21 -1.98 0.08 0.97 -0.63 117.98 117.63 3imm s PHE 214 Ca 0.02 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 3imm s PHE 214 Cb -0.07 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 3imm s PHE 214 CO 0.01 0.31 0.50 -0.98 -0.10 0.00 0.00 175.22 174.95 3imm s ARG 215 N -3.19 1.41 -1.45 0.44 1.70 -0.56 -0.51 118.95 116.80 3imm s ARG 215 Ca 0.18 -0.99 -0.09 0.00 -0.47 0.00 0.00 55.73 54.36 3imm s ARG 215 Cb -0.03 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 3imm s ARG 215 CO 0.06 -0.59 0.92 0.09 -1.08 0.00 0.00 175.30 174.70 3imm n ASN 216 N -0.34 -5.70 -4.66 -2.89 3.02 -1.26 -1.08 115.26 102.34 3imm n ASN 216 Ca -0.08 -0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 3imm n ASN 216 Cb 0.62 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 3imm n ASN 216 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3imm s ILE 217 N -3.24 4.77 0.07 2.41 1.01 -1.26 -4.11 121.20 120.85 3imm s ILE 217 Ca 0.52 1.86 -0.14 0.00 0.00 0.00 0.00 60.65 62.89 3imm s ILE 217 Cb -0.24 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.01 3imm s ILE 217 CO 0.64 -0.09 0.32 -1.59 0.00 0.00 0.00 174.94 174.22 3imm s LYS 218 N 2.73 0.89 0.02 2.79 -2.85 -0.14 -1.88 119.74 121.30 3imm s LYS 218 Ca 0.42 -0.63 -0.03 0.00 -1.00 0.00 0.00 55.97 54.73 3imm s LYS 218 Cb -0.16 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 3imm s LYS 218 CO 0.09 -0.31 0.04 -1.50 0.10 0.00 0.00 175.35 173.77 3imm s ILE 219 N -3.11 0.12 0.11 3.79 2.07 -0.12 -0.41 121.20 123.66 3imm s ILE 219 Ca -0.01 -0.99 -0.19 0.00 -1.41 0.00 0.00 60.65 58.05 3imm s ILE 219 Cb 0.01 -0.56 0.05 0.00 0.13 0.00 0.00 42.46 42.08 3imm s ILE 219 CO -0.07 -0.55 0.46 0.00 -1.91 0.00 0.00 174.94 172.88 3imm s ARG 220 N -1.94 1.10 0.54 3.50 1.70 -0.84 -1.10 118.95 121.90 3imm s ARG 220 Ca -0.11 -0.55 -0.19 0.00 -0.47 0.00 0.00 55.73 54.41 3imm s ARG 220 Cb -0.06 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 3imm s ARG 220 CO -0.02 -0.43 1.08 -1.12 -1.08 0.00 0.00 175.30 173.73 3imm s SER 221 N -2.59 5.91 0.00 -2.89 0.01 -1.26 -0.92 113.70 111.96 3imm s SER 221 Ca 0.00 2.00 0.31 0.00 1.31 0.00 0.00 55.95 59.58 3imm s SER 221 Cb 0.01 -2.56 1.77 0.00 0.21 0.00 0.00 66.02 65.45 3imm s SER 221 CO -0.10 -1.08 2.15 0.18 0.41 0.00 0.00 173.24 174.80