#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 2.93 0.32 -3.83 2.47 -1.26 -4.84 119.74 115.53 3imm s LYS 27 Ca 0.00 -0.33 -0.29 0.00 -1.56 0.00 0.00 55.97 53.79 3imm s LYS 27 Cb 0.00 -2.43 -0.10 0.00 -1.46 0.00 0.00 37.83 33.83 3imm s LYS 27 CO 0.00 -0.51 1.34 -1.58 0.16 0.00 0.00 175.35 174.76 3imm s TRP 28 N -2.76 2.99 0.19 4.03 0.52 -1.26 -4.65 118.94 118.00 3imm s TRP 28 Ca 0.52 1.34 0.11 0.00 0.02 0.00 0.00 56.10 58.09 3imm s TRP 28 Cb -0.10 -3.74 -0.04 0.00 -1.15 0.00 0.00 33.47 28.44 3imm s TRP 28 CO 0.41 -2.09 -0.24 -1.59 0.02 0.00 0.00 176.95 173.46 3imm s LYS 29 N -1.63 1.50 0.17 4.98 -2.85 -0.35 -4.93 119.74 116.64 3imm s LYS 29 Ca 0.51 -1.51 -0.32 0.00 -1.00 0.00 0.00 55.97 53.65 3imm s LYS 29 Cb -0.41 -1.82 -0.11 0.00 -2.06 0.00 0.00 37.83 33.43 3imm s LYS 29 CO 0.53 0.39 1.75 -2.14 0.10 0.00 0.00 175.35 175.98 3imm s PRO 30 N -2.65 4.14 0.27 1.78 0.02 -1.26 -0.81 135.00 136.48 3imm s PRO 30 Ca 0.20 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.79 3imm s PRO 30 Cb -0.08 -3.31 0.51 0.00 0.02 0.00 0.00 34.50 31.64 3imm s PRO 30 CO 0.10 -0.78 1.80 1.25 -0.33 0.00 0.00 177.00 179.04 3imm h LEU 31 N 7.60 0.70 -3.11 -5.54 5.85 -1.34 -2.67 115.31 116.80 3imm h LEU 31 Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3imm h LEU 31 Cb 1.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3imm h LEU 31 CO 0.95 0.35 0.00 0.49 -0.34 0.00 0.00 178.44 179.89 3imm n PHE 32 N -4.76 0.90 -4.38 1.25 3.72 -1.26 -4.89 117.46 108.03 3imm n PHE 32 Ca 0.17 -0.68 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 3imm n PHE 32 Cb 0.37 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.20 -1.34 3.69 1.37 0.00 -1.01 -1.13 105.19 106.98 3imm n GLY 33 Ca 0.19 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3imm n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3imm s LYS 34 N 0.00 4.39 -1.53 1.61 2.20 -1.26 -3.89 119.74 121.26 3imm s LYS 34 Ca 0.00 1.50 -0.09 0.00 -0.36 0.00 0.00 55.97 57.02 3imm s LYS 34 Cb 0.00 -3.55 0.07 0.00 -1.51 0.00 0.00 37.83 32.85 3imm s LYS 34 CO 0.00 -0.37 0.68 -1.71 -0.36 0.00 0.00 175.35 173.60 3imm n ASN 35 N 5.07 -2.33 -0.60 1.43 4.05 -1.26 -2.22 115.26 119.41 3imm n ASN 35 Ca 0.10 -0.95 -0.08 0.00 0.45 0.00 0.00 54.58 54.10 3imm n ASN 35 Cb 0.48 -3.18 -0.03 0.00 1.23 0.00 0.00 39.78 38.27 3imm n ASN 35 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3imm n LEU 36 N -4.44 -0.48 0.11 1.20 4.77 -1.21 -4.90 117.00 112.04 3imm n LEU 36 Ca -0.10 0.19 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 3imm n LEU 36 Cb 0.58 -1.57 0.45 0.00 -2.33 0.00 0.00 43.42 40.56 3imm n LEU 36 CO 0.79 -0.50 1.01 1.05 -1.33 0.00 0.00 177.39 178.41 3imm h GLU 37 N 0.11 0.29 -0.82 3.23 4.11 -0.91 -2.05 114.58 118.54 3imm h GLU 37 Ca -0.16 -0.04 -0.26 0.00 0.07 0.00 0.00 59.36 58.97 3imm h GLU 37 Cb 0.60 -0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 3imm h GLU 37 CO 0.23 0.30 0.33 0.09 0.07 0.00 0.00 179.01 180.03 3imm n ASN 38 N -4.39 4.53 -4.33 3.06 3.02 -0.28 -4.94 115.26 111.92 3imm n ASN 38 Ca 0.00 -3.21 -0.27 0.00 -0.03 0.00 0.00 54.58 51.07 3imm n ASN 38 Cb 0.16 -0.75 -0.13 0.00 -0.61 0.00 0.00 39.78 38.45 3imm n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3imm s ALA 39 N -2.88 2.11 -0.22 5.41 0.00 -0.77 -1.79 121.76 123.62 3imm s ALA 39 Ca 0.52 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 3imm s ALA 39 Cb 0.42 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3imm s ALA 39 CO 0.12 0.46 0.09 -0.80 0.00 0.00 0.00 175.76 175.64 3imm s ASN 40 N -1.81 5.58 0.08 0.00 0.01 0.17 -4.88 114.94 114.10 3imm s ASN 40 Ca 0.10 -0.01 -0.26 0.00 -0.71 0.00 0.00 52.86 51.99 3imm s ASN 40 Cb -0.10 -1.98 0.08 0.00 0.41 0.00 0.00 41.25 39.66 3imm s ASN 40 CO 0.04 0.08 0.71 -0.72 -1.51 0.00 0.00 177.10 175.70 3imm s TYR 41 N 0.93 -0.48 -0.41 2.20 1.13 -1.26 -1.24 117.35 118.22 3imm s TYR 41 Ca 0.05 0.36 -0.26 0.00 -1.41 0.00 0.00 57.07 55.81 3imm s TYR 41 Cb -0.14 0.54 0.02 0.00 -1.10 0.00 0.00 41.96 41.28 3imm s TYR 41 CO 0.03 -0.72 0.94 1.21 -2.51 0.00 0.00 175.55 174.50 3imm s ASN 42 N -2.50 6.62 0.19 -0.18 3.84 -1.26 -4.94 114.94 116.71 3imm s ASN 42 Ca 0.01 0.42 0.18 0.00 0.21 0.00 0.00 52.86 53.68 3imm s ASN 42 Cb -0.01 -2.47 0.83 0.00 -0.55 0.00 0.00 41.25 39.05 3imm s ASN 42 CO -0.10 -0.95 1.55 -0.81 -2.79 0.00 0.00 177.10 174.00 3imm n PRO 43 N 6.99 0.12 0.27 0.43 -0.04 -1.26 -0.88 135.00 140.63 3imm n PRO 43 Ca 0.07 0.47 0.17 0.00 -0.04 0.00 0.00 63.50 64.17 3imm n PRO 43 Cb 0.48 -1.78 0.68 0.00 -0.04 0.00 0.00 33.50 32.84 3imm n PRO 43 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3imm h GLU 44 N 0.00 0.00 0.00 0.54 4.39 -2.04 -3.39 114.58 114.09 3imm h GLU 44 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3imm h GLU 44 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3imm h GLU 44 CO 0.00 0.00 -0.90 0.28 -1.16 0.00 0.00 179.01 177.23 3imm n VAL 45 N -3.07 1.40 -3.72 3.13 0.31 -0.06 -4.84 118.33 111.49 3imm n VAL 45 Ca 0.01 0.15 -0.35 0.00 -0.01 0.00 0.00 64.34 64.14 3imm n VAL 45 Cb 0.31 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.64 3.59 -0.03 3.52 0.52 -0.69 -2.03 118.94 121.17 3imm s TRP 46 Ca -0.22 0.64 -0.09 0.00 0.02 0.00 0.00 56.10 56.44 3imm s TRP 46 Cb 0.04 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 3imm s TRP 46 CO 0.32 0.61 0.21 -1.54 0.02 0.00 0.00 176.95 176.57 3imm s SER 47 N -1.63 -0.12 -0.22 2.95 1.04 -0.56 -4.69 113.70 110.47 3imm s SER 47 Ca 0.27 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.82 3imm s SER 47 Cb -0.13 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.35 3imm s SER 47 CO 0.16 -0.28 -0.14 -0.70 0.98 0.00 0.00 173.24 173.25 3imm s GLU 48 N -0.82 2.77 -0.05 4.02 2.12 -1.26 -1.29 118.70 124.19 3imm s GLU 48 Ca -0.09 -0.99 -0.02 0.00 0.36 0.00 0.00 54.97 54.23 3imm s GLU 48 Cb -0.05 -2.75 0.03 0.00 0.26 0.00 0.00 34.13 31.62 3imm s GLU 48 CO 0.02 -0.34 0.04 0.99 -0.54 0.00 0.00 175.26 175.43 3imm s THR 49 N 1.25 0.03 -1.51 -1.70 2.01 -0.04 -4.72 115.64 110.95 3imm s THR 49 Ca 0.00 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 3imm s THR 49 Cb -0.16 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 72.10 3imm s THR 49 CO -0.09 0.20 0.62 -0.67 -0.69 0.00 0.00 174.62 173.98 3imm n ASP 50 N 5.26 -5.78 0.00 3.53 2.03 -1.26 -2.10 116.55 118.23 3imm n ASP 50 Ca -0.04 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.95 3imm n ASP 50 Cb 0.50 -4.68 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 3imm n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3imm n GLY 51 N -1.49 1.55 3.58 0.27 0.00 -1.26 -5.02 105.19 102.81 3imm n GLY 51 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.56 5.07 -0.18 1.61 1.01 -0.89 -4.38 120.40 120.07 3imm s VAL 52 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 3imm s VAL 52 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3imm s VAL 52 CO 0.00 0.31 0.21 -0.22 0.00 0.00 0.00 175.10 175.40 3imm s LEU 53 N 1.43 4.23 0.07 3.92 2.96 -0.08 -0.87 118.68 130.34 3imm s LEU 53 Ca 0.07 0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.20 3imm s LEU 53 Cb -0.15 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.33 3imm s LEU 53 CO 0.07 0.14 0.34 -0.83 -1.32 0.00 0.00 176.35 174.75 3imm s GLY 54 N 0.40 -0.16 0.04 7.98 0.00 -0.41 -1.15 107.32 114.01 3imm s GLY 54 Ca 0.12 -0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.91 3imm s GLY 54 CO 0.01 -0.25 -0.23 0.00 0.00 0.00 0.00 173.10 172.63 3imm s ALA 55 N -2.98 2.38 -1.55 3.20 0.00 -1.26 -1.49 121.76 120.06 3imm s ALA 55 Ca -0.02 -1.22 0.16 0.00 0.00 0.00 0.00 51.96 50.88 3imm s ALA 55 Cb 0.01 -0.59 0.36 0.00 0.00 0.00 0.00 23.12 22.90 3imm s ALA 55 CO -0.06 0.55 1.28 1.33 0.00 0.00 0.00 175.76 178.85 3imm n VAL 56 N 1.77 0.73 -3.70 0.00 0.24 -0.86 -4.47 118.33 112.03 3imm n VAL 56 Ca -0.17 -0.86 -0.10 0.00 -2.04 0.00 0.00 64.34 61.17 3imm n VAL 56 Cb 0.52 0.73 -0.05 0.00 -1.47 0.00 0.00 33.84 33.57 3imm n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3imm s LYS 57 N -1.10 1.15 -1.46 7.34 2.20 -1.26 -4.95 119.74 121.66 3imm s LYS 57 Ca 0.30 -0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 54.99 3imm s LYS 57 Cb 0.17 0.47 0.03 0.00 -1.51 0.00 0.00 37.83 36.99 3imm s LYS 57 CO 0.22 -0.45 2.39 -3.47 -0.36 0.00 0.00 175.35 173.68 3imm n ASP 58 N -0.25 5.94 -4.05 1.43 2.03 -1.21 -2.20 116.55 118.25 3imm n ASP 58 Ca -0.14 -2.84 -0.17 0.00 0.52 0.00 0.00 54.79 52.16 3imm n ASP 58 Cb 0.63 -1.57 -0.14 0.00 -0.72 0.00 0.00 41.12 39.33 3imm n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3imm s GLU 59 N 1.93 0.67 0.46 -0.67 2.02 -1.26 -4.86 118.70 116.99 3imm s GLU 59 Ca 0.53 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.98 3imm s GLU 59 Cb 0.15 -0.61 -0.03 0.00 0.10 0.00 0.00 34.13 33.74 3imm s GLU 59 CO -0.07 0.15 0.74 -1.12 0.02 0.00 0.00 175.26 174.98 3imm s SER 60 N -0.73 6.17 -0.08 -0.19 0.01 -1.26 -3.45 113.70 114.17 3imm s SER 60 Ca -0.00 0.75 0.02 0.00 1.31 0.00 0.00 55.95 58.03 3imm s SER 60 Cb -0.06 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 3imm s SER 60 CO 0.00 -0.57 -0.14 -0.51 0.41 0.00 0.00 173.24 172.43 3imm s ILE 61 N -2.66 3.05 0.02 1.44 2.07 -0.74 -4.66 121.20 119.71 3imm s ILE 61 Ca 0.46 -0.70 0.05 0.00 -1.41 0.00 0.00 60.65 59.05 3imm s ILE 61 Cb -0.10 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.25 3imm s ILE 61 CO 0.42 0.57 -0.16 0.26 -1.91 0.00 0.00 174.94 174.12 3imm s TRP 62 N -0.35 1.40 0.60 3.50 0.52 -0.37 -1.17 118.94 123.07 3imm s TRP 62 Ca 0.03 -0.31 -0.20 0.00 0.02 0.00 0.00 56.10 55.64 3imm s TRP 62 Cb -0.13 -0.86 -0.03 0.00 -1.15 0.00 0.00 33.47 31.31 3imm s TRP 62 CO 0.02 0.02 1.33 0.25 0.02 0.00 0.00 176.95 178.59 3imm n THR 63 N 2.25 4.45 0.13 2.01 -2.24 0.38 0.45 114.28 121.70 3imm n THR 63 Ca -0.16 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3imm n THR 63 Cb 0.54 -1.58 0.09 0.00 -2.10 0.00 0.00 70.33 67.28 3imm n THR 63 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3imm h LYS 64 N 0.96 0.00 -6.21 -0.78 1.57 -1.69 -3.43 116.57 106.99 3imm h LYS 64 Ca -0.51 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.74 3imm h LYS 64 Cb 1.32 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 3imm h LYS 64 CO 0.55 0.64 -0.58 -0.51 -0.57 0.00 0.00 179.45 178.99 3imm s ASP 65 N -6.61 5.14 0.11 0.86 1.01 -1.26 -5.08 116.67 110.84 3imm s ASP 65 Ca 0.01 -0.39 -0.03 0.00 0.71 0.00 0.00 52.55 52.85 3imm s ASP 65 Cb 0.10 -1.19 -0.05 0.00 1.01 0.00 0.00 42.92 42.79 3imm s ASP 65 CO 0.76 -0.01 0.32 -1.61 0.21 0.00 0.00 175.17 174.83 3imm s GLU 66 N -3.67 3.56 0.02 8.23 2.02 -1.26 -4.46 118.70 123.13 3imm s GLU 66 Ca 0.32 -0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.12 3imm s GLU 66 Cb -0.08 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 3imm s GLU 66 CO 0.23 0.52 -0.06 0.71 0.02 0.00 0.00 175.26 176.69 3imm s TYR 67 N -1.59 0.48 0.12 1.61 2.02 0.08 -4.88 117.35 115.20 3imm s TYR 67 Ca 0.38 -0.31 -0.03 0.00 -0.37 0.00 0.00 57.07 56.74 3imm s TYR 67 Cb -0.12 -0.30 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 3imm s TYR 67 CO 0.25 -0.06 0.11 -1.83 -1.57 0.00 0.00 175.55 172.45 3imm s GLU 68 N -0.89 0.93 -0.94 -0.62 -1.05 -1.26 -2.31 118.70 112.56 3imm s GLU 68 Ca -0.05 -1.32 -0.10 0.00 -0.15 0.00 0.00 54.97 53.35 3imm s GLU 68 Cb -0.06 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.91 3imm s GLU 68 CO -0.00 -0.28 0.66 -1.71 0.95 0.00 0.00 175.26 174.88 3imm n ASN 69 N -0.09 -5.09 -4.05 0.83 5.15 -1.14 -4.84 115.26 106.02 3imm n ASN 69 Ca -0.08 -0.95 -0.10 0.00 -0.60 0.00 0.00 54.58 52.86 3imm n ASN 69 Cb 0.63 -2.30 -0.08 0.00 -0.53 0.00 0.00 39.78 37.50 3imm n ASN 69 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3imm s PHE 70 N -3.17 0.64 0.08 1.20 -0.12 -0.88 -0.93 117.98 114.80 3imm s PHE 70 Ca 0.17 -0.98 0.06 0.00 -0.05 0.00 0.00 56.93 56.13 3imm s PHE 70 Cb -0.08 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 3imm s PHE 70 CO 0.89 -0.70 -0.16 -1.83 -0.05 0.00 0.00 175.22 173.37 3imm s GLU 71 N -4.03 0.92 -0.05 1.99 -1.05 0.11 -0.80 118.70 115.80 3imm s GLU 71 Ca 0.23 -1.02 0.06 0.00 -0.15 0.00 0.00 54.97 54.09 3imm s GLU 71 Cb 0.04 -1.02 -0.02 0.00 -0.44 0.00 0.00 34.13 32.69 3imm s GLU 71 CO 0.04 0.23 -0.23 -1.17 0.95 0.00 0.00 175.26 175.08 3imm s LEU 72 N -1.79 2.23 -0.06 1.83 2.96 0.74 -1.89 118.68 122.70 3imm s LEU 72 Ca 0.01 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 3imm s LEU 72 Cb -0.10 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3imm s LEU 72 CO 0.03 0.29 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.68 3imm s ASP 73 N -0.40 1.41 0.13 3.68 2.15 -0.01 -0.96 116.67 122.67 3imm s ASP 73 Ca 0.04 -0.16 -0.14 0.00 0.43 0.00 0.00 52.55 52.71 3imm s ASP 73 Cb -0.12 -0.55 0.02 0.00 -0.30 0.00 0.00 42.92 41.97 3imm s ASP 73 CO 0.02 -0.09 0.36 -1.48 -0.17 0.00 0.00 175.17 173.80 3imm s LEU 74 N 1.29 0.64 0.07 -1.34 2.34 -1.25 -0.41 118.68 120.01 3imm s LEU 74 Ca -0.05 -0.45 0.05 0.00 0.06 0.00 0.00 54.13 53.75 3imm s LEU 74 Cb -0.14 1.64 -0.04 0.00 -0.56 0.00 0.00 46.19 47.10 3imm s LEU 74 CO -0.02 -0.85 -0.06 -1.81 -1.06 0.00 0.00 176.35 172.55 3imm s ASP 75 N -2.84 4.67 0.01 1.48 1.01 -0.46 -4.37 116.67 116.18 3imm s ASP 75 Ca 0.05 -0.24 -0.10 0.00 0.71 0.00 0.00 52.55 52.96 3imm s ASP 75 Cb 0.02 -1.03 0.01 0.00 1.01 0.00 0.00 42.92 42.93 3imm s ASP 75 CO -0.10 0.21 0.21 0.72 0.21 0.00 0.00 175.17 176.42 3imm s PHE 76 N -1.17 -0.02 -0.09 4.23 -0.12 -0.81 -1.74 117.98 118.25 3imm s PHE 76 Ca 0.21 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 3imm s PHE 76 Cb -0.11 0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3imm s PHE 76 CO 0.13 -0.38 -0.10 0.21 -0.05 0.00 0.00 175.22 175.03 3imm s LYS 77 N -1.86 1.64 0.55 1.99 2.20 0.55 0.18 119.74 124.99 3imm s LYS 77 Ca -0.10 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.12 3imm s LYS 77 Cb -0.04 -1.50 0.01 0.00 -1.51 0.00 0.00 37.83 34.79 3imm s LYS 77 CO 0.00 -0.11 0.82 0.95 -0.36 0.00 0.00 175.35 176.66 3imm s THR 78 N 1.13 3.62 0.40 3.43 -4.23 -1.26 -2.12 115.64 116.61 3imm s THR 78 Ca -0.06 -0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 3imm s THR 78 Cb -0.14 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 3imm s THR 78 CO -0.02 -0.36 0.26 -0.62 -0.54 0.00 0.00 174.62 173.34 3imm s ASP 79 N -4.30 4.78 -0.02 3.99 2.15 -1.18 -1.06 116.67 121.03 3imm s ASP 79 Ca 0.53 -0.85 -0.32 0.00 0.43 0.00 0.00 52.55 52.33 3imm s ASP 79 Cb -0.10 -0.59 -0.10 0.00 -0.30 0.00 0.00 42.92 41.82 3imm s ASP 79 CO 0.42 -0.53 1.92 0.52 -0.17 0.00 0.00 175.17 177.33 3imm n VAL 80 N -1.36 0.66 -0.78 1.11 0.31 -1.26 -2.24 118.33 114.76 3imm n VAL 80 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3imm n VAL 80 Cb 0.63 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 4.46 0.68 3.57 2.92 0.00 -1.26 -4.73 105.19 110.83 3imm n GLY 81 Ca 0.21 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.57 1.49 -3.38 2.61 -1.04 -0.95 -4.77 114.28 105.65 3imm n THR 82 Ca 0.00 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 61.49 3imm n THR 82 Cb 0.00 -0.86 -0.09 0.00 -1.82 0.00 0.00 70.33 67.56 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 1.24 0.00 8.00 2.47 -1.26 -1.10 114.94 123.97 3imm s ASN 83 Ca 0.66 -0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.40 3imm s ASN 83 Cb -0.78 0.68 0.00 0.00 -1.45 0.00 0.00 41.25 39.70 3imm s ASN 83 CO 0.56 -0.37 0.00 -0.24 -3.72 0.00 0.00 177.10 173.33 3imm n SER 84 N 5.33 0.05 0.00 -4.21 2.88 0.11 -4.33 113.62 113.44 3imm n SER 84 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3imm n SER 84 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.15 1.44 3.57 0.46 0.00 -1.26 -1.81 105.19 107.75 3imm n GLY 85 Ca 0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 4.84 -0.17 1.61 1.01 -0.16 -1.86 120.40 123.66 3imm s VAL 86 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3imm s VAL 86 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3imm s VAL 86 CO 0.00 0.37 0.03 -0.69 0.00 0.00 0.00 175.10 174.80 3imm s VAL 87 N 1.11 4.48 0.30 2.92 1.01 0.54 -0.77 120.40 129.99 3imm s VAL 87 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3imm s VAL 87 Cb -0.14 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 3imm s VAL 87 CO 0.04 0.47 0.02 0.68 0.00 0.00 0.00 175.10 176.32 3imm s VAL 88 N 0.35 1.25 -1.42 2.92 -7.23 -0.06 -1.17 120.40 115.03 3imm s VAL 88 Ca 0.01 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.09 3imm s VAL 88 Cb -0.13 -2.65 0.03 0.00 0.56 0.00 0.00 36.38 34.19 3imm s VAL 88 CO 0.01 -0.12 0.46 -1.22 -0.31 0.00 0.00 175.10 173.93 3imm n TYR 89 N -0.62 -1.79 -2.64 2.82 4.01 -1.16 -1.13 117.16 116.65 3imm n TYR 89 Ca -0.03 0.42 -0.43 0.00 -0.16 0.00 0.00 57.90 57.69 3imm n TYR 89 Cb 0.65 -3.73 -0.02 0.00 -0.31 0.00 0.00 39.34 35.93 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 5.39 0.00 -3.22 0.00 -2.24 -0.67 -0.68 114.28 112.86 3imm n THR 91 Ca 0.12 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3imm n THR 91 Cb 0.46 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.80 -0.78 0.00 3.42 -1.08 -1.26 -5.00 116.67 109.17 3imm s ASP 92 Ca 0.15 0.42 0.30 0.00 -0.52 0.00 0.00 52.55 52.90 3imm s ASP 92 Cb 0.18 1.73 1.62 0.00 -1.46 0.00 0.00 42.92 44.99 3imm s ASP 92 CO 0.67 -0.29 2.09 0.35 0.52 0.00 0.00 175.17 178.51 3imm n THR 93 N 5.40 0.02 -0.09 1.71 -2.24 -1.26 -2.26 114.28 115.56 3imm n THR 93 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3imm n THR 93 Cb 0.51 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3imm n THR 93 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3imm n LYS 94 N -1.19 0.52 -2.38 -0.78 0.00 -1.26 -4.42 118.16 108.64 3imm n LYS 94 Ca 0.17 0.55 -0.41 0.00 0.00 0.00 0.00 58.31 58.62 3imm n LYS 94 Cb 0.19 -1.72 0.01 0.00 0.00 0.00 0.00 35.03 33.51 3imm n LYS 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3imm n ASP 95 N -4.51 7.53 0.08 3.14 2.03 -1.22 -4.79 116.55 118.81 3imm n ASP 95 Ca -0.22 -3.43 -0.03 0.00 0.52 0.00 0.00 54.79 51.63 3imm n ASP 95 Cb 0.50 -1.26 -0.07 0.00 -0.72 0.00 0.00 41.12 39.57 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 4.48 0.00 -0.01 -0.67 5.08 -1.66 -3.36 115.95 119.81 3imm h TRP 96 Ca 0.59 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.59 3imm h TRP 96 Cb 0.34 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.46 3imm h TRP 96 CO 1.43 0.79 -0.20 0.82 -1.28 0.00 0.00 178.44 180.00 3imm h ILE 97 N 0.00 0.52 -0.01 0.12 2.04 -1.86 -1.49 117.51 116.83 3imm h ILE 97 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3imm h ILE 97 Cb 1.64 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3imm h ILE 97 CO 0.10 0.00 -0.04 -0.81 0.00 0.00 0.00 178.15 177.39 3imm n PRO 98 N -5.33 1.14 -2.42 2.37 -0.04 -1.26 -4.29 135.00 125.16 3imm n PRO 98 Ca -0.05 -0.44 -0.27 0.00 -0.04 0.00 0.00 63.50 62.70 3imm n PRO 98 Cb 0.25 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.54 4.83 -3.65 3.54 3.02 -0.56 -4.64 115.26 117.26 3imm n ASN 99 Ca 0.19 -3.73 0.01 0.00 -0.03 0.00 0.00 54.58 51.02 3imm n ASN 99 Cb 0.26 -0.47 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 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 -3.45 -0.03 -0.04 6.41 1.04 -1.21 -1.67 113.70 114.75 3imm s SER 100 Ca 0.48 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.67 3imm s SER 100 Cb 0.40 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 3imm s SER 100 CO -0.18 -0.49 -0.19 -0.69 0.98 0.00 0.00 173.24 172.66 3imm s VAL 101 N -2.32 1.56 -0.15 5.02 1.01 -0.29 -4.98 120.40 120.25 3imm s VAL 101 Ca 0.21 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3imm s VAL 101 Cb 0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3imm s VAL 101 CO -0.00 0.45 -0.11 -0.70 0.00 0.00 0.00 175.10 174.73 3imm s GLU 102 N -0.05 3.36 -0.35 2.72 2.12 -1.26 -0.88 118.70 124.36 3imm s GLU 102 Ca -0.03 -0.68 -0.21 0.00 0.36 0.00 0.00 54.97 54.41 3imm s GLU 102 Cb -0.12 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.56 3imm s GLU 102 CO 0.02 0.09 0.68 0.42 -0.54 0.00 0.00 175.26 175.94 3imm s ILE 103 N 0.67 4.85 0.24 -3.70 1.09 0.05 -0.98 121.20 123.42 3imm s ILE 103 Ca -0.06 0.74 -0.30 0.00 -1.10 0.00 0.00 60.65 59.93 3imm s ILE 103 Cb -0.15 -4.11 -0.10 0.00 -1.06 0.00 0.00 42.46 37.04 3imm s ILE 103 CO 0.02 -0.32 1.37 -1.58 -0.10 0.00 0.00 174.94 174.34 3imm s GLN 104 N 2.81 4.33 -0.17 2.79 2.00 0.34 -0.99 119.66 130.77 3imm s GLN 104 Ca 0.27 2.20 0.01 0.00 -2.00 0.00 0.00 55.36 55.84 3imm s GLN 104 Cb -0.14 -3.13 0.01 0.00 0.80 0.00 0.00 33.01 30.55 3imm s GLN 104 CO 0.15 -0.32 -0.19 0.42 -0.50 0.00 0.00 175.29 174.84 3imm s ILE 105 N -0.15 2.18 0.02 -2.34 1.01 -0.75 -0.55 121.20 120.62 3imm s ILE 105 Ca 0.57 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 3imm s ILE 105 Cb -0.40 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3imm s ILE 105 CO 0.43 0.53 0.01 0.00 0.00 0.00 0.00 174.94 175.91 3imm s ALA 106 N 1.12 0.03 -1.08 9.38 0.00 -1.26 0.06 121.76 130.02 3imm s ALA 106 Ca 0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 3imm s ALA 106 Cb -0.14 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3imm s ALA 106 CO -0.08 -0.18 1.63 0.34 0.00 0.00 0.00 175.76 177.47 3imm s ASP 107 N -1.51 6.25 0.39 0.00 2.15 -0.26 -4.33 116.67 119.35 3imm s ASP 107 Ca -0.15 -1.56 0.26 0.00 0.43 0.00 0.00 52.55 51.53 3imm s ASP 107 Cb -0.09 -2.57 1.40 0.00 -0.30 0.00 0.00 42.92 41.37 3imm s ASP 107 CO -0.01 -1.75 1.80 0.44 -0.17 0.00 0.00 175.17 175.49 3imm h ASP 108 N 9.53 0.00 1.00 -0.34 5.19 -1.88 -2.80 116.42 127.12 3imm h ASP 108 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3imm h ASP 108 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 3imm h ASP 108 CO 1.39 0.00 -0.16 1.41 -3.12 0.00 0.00 179.24 178.76 3imm n HIS 109 N -2.42 0.27 -2.80 4.55 8.25 -1.26 -4.01 115.22 117.80 3imm n HIS 109 Ca -0.01 0.08 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 3imm n HIS 109 Cb 0.06 -0.57 0.01 0.00 1.12 0.00 0.00 29.99 30.61 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 0.26 -0.37 -0.42 0.00 4.22 -1.90 -1.21 114.58 115.15 3imm h GLU 111 Ca -0.47 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.07 3imm h GLU 111 Cb 1.23 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 3imm h GLU 111 CO 0.60 -0.25 0.04 -0.22 -2.18 0.00 0.00 179.01 177.01 3imm h LYS 112 N -0.38 0.16 0.00 1.92 3.64 -1.95 -0.23 116.57 119.73 3imm h LYS 112 Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3imm h LYS 112 Cb 0.57 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3imm h LYS 112 CO -0.42 0.10 -0.60 0.91 -2.27 0.00 0.00 179.45 177.18 3imm n TRP 113 N -5.15 0.01 0.08 1.91 5.03 -1.22 -3.31 117.44 114.78 3imm n TRP 113 Ca 0.03 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.62 3imm n TRP 113 Cb 0.21 -0.22 -0.03 0.00 -1.03 0.00 0.00 31.31 30.24 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 4.98 0.00 -3.28 6.99 0.00 -0.78 -3.26 103.07 107.72 3imm h GLY 114 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 3imm h GLY 114 CO 0.00 0.00 0.34 1.16 0.00 0.00 0.00 176.54 178.04 3imm n ASN 115 N -2.87 3.82 -4.96 0.19 2.04 -0.14 -5.02 115.26 108.33 3imm n ASN 115 Ca -0.04 -3.71 -0.23 0.00 -0.44 0.00 0.00 54.58 50.15 3imm n ASN 115 Cb 0.71 -0.76 0.02 0.00 -2.53 0.00 0.00 39.78 37.23 3imm n ASN 115 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3imm s GLY 116 N -1.94 2.09 0.47 4.83 0.00 -1.21 -5.01 107.32 106.56 3imm s GLY 116 Ca 0.53 -1.64 -0.21 0.00 0.00 0.00 0.00 44.72 43.40 3imm s GLY 116 CO 0.05 -1.83 1.08 0.54 0.00 0.00 0.00 173.10 172.93 3imm s LYS 117 N -4.45 3.80 0.35 2.90 1.02 -1.26 -4.93 119.74 117.16 3imm s LYS 117 Ca 0.46 1.50 0.15 0.00 0.02 0.00 0.00 55.97 58.09 3imm s LYS 117 Cb -0.04 -2.23 1.06 0.00 -0.52 0.00 0.00 37.83 36.10 3imm s LYS 117 CO 0.29 -0.45 1.69 -1.35 -0.92 0.00 0.00 175.35 174.60 3imm h PRO 118 N 1.79 0.38 0.00 -1.68 0.11 -1.97 -1.39 132.00 129.24 3imm h PRO 118 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3imm h PRO 118 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3imm h PRO 118 CO 0.60 0.25 0.00 2.48 -0.21 0.00 0.00 178.00 181.12 3imm n TYR 119 N -4.94 0.00 1.11 0.65 0.18 -1.26 -2.40 117.16 110.50 3imm n TYR 119 Ca 0.30 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.20 3imm n TYR 119 Cb 0.94 -0.18 0.17 0.00 -0.38 0.00 0.00 39.34 39.89 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 -1.18 0.95 -2.05 -3.48 1.02 -0.52 -3.88 120.64 111.49 3imm n GLU 120 Ca 0.14 -0.69 -0.32 0.00 -0.02 0.00 0.00 57.16 56.27 3imm n GLU 120 Cb 0.15 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 3.65 0.21 3.49 -0.14 -1.01 -4.67 119.74 118.74 3imm s LYS 121 Ca 0.20 0.88 -0.32 0.00 -1.36 0.00 0.00 55.97 55.37 3imm s LYS 121 Cb 0.18 -2.09 -0.14 0.00 -1.68 0.00 0.00 37.83 34.11 3imm s LYS 121 CO 0.57 -0.52 1.47 0.00 -0.76 0.00 0.00 175.35 176.10 3imm n GLY 123 N 2.60 1.80 3.71 0.00 0.00 0.29 -4.78 105.19 108.82 3imm n GLY 123 Ca 0.13 0.00 -0.30 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 -2.94 1.67 -0.51 4.61 0.00 -0.99 -4.58 121.76 119.02 3imm s ALA 124 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.94 3imm s ALA 124 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3imm s ALA 124 CO 0.00 -2.32 0.87 0.42 0.00 0.00 0.00 175.76 174.74 3imm s ILE 125 N -2.82 4.50 0.26 0.00 -1.09 -0.30 -0.51 121.20 121.24 3imm s ILE 125 Ca 0.64 0.29 -0.31 0.00 -2.23 0.00 0.00 60.65 59.04 3imm s ILE 125 Cb -0.19 -4.46 -0.13 0.00 -1.58 0.00 0.00 42.46 36.10 3imm s ILE 125 CO 0.57 -0.96 1.41 0.00 -1.23 0.00 0.00 174.94 174.73 3imm n TYR 126 N 7.14 2.25 0.00 3.97 9.36 -0.16 -1.05 117.16 138.67 3imm n TYR 126 Ca 0.02 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.67 3imm n TYR 126 Cb 0.48 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 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 1.96 2.97 0.78 2.98 0.00 -1.25 -4.73 105.19 107.90 3imm n GLY 127 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.00 -3.70 1.61 8.25 -0.22 -4.43 115.22 114.74 3imm n HIS 128 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3imm n HIS 128 Cb 0.00 0.15 -0.13 0.00 1.12 0.00 0.00 29.99 31.13 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 -4.58 0.04 0.80 2.41 2.96 -0.52 -4.83 118.68 114.97 3imm s LEU 129 Ca 0.00 0.58 -0.11 0.00 -0.22 0.00 0.00 54.13 54.38 3imm s LEU 129 Cb 0.00 0.76 0.07 0.00 0.50 0.00 0.00 46.19 47.52 3imm s LEU 129 CO 0.00 -0.20 1.09 -0.83 -1.32 0.00 0.00 176.35 175.09 3imm s GLY 130 N 1.81 1.65 0.53 7.98 0.00 -1.26 -1.15 107.32 116.88 3imm s GLY 130 Ca -0.04 0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.59 3imm s GLY 130 CO -0.09 0.46 0.97 0.00 0.00 0.00 0.00 173.10 174.44 3imm s ALA 131 N -2.98 3.10 0.39 3.20 0.00 -1.25 -4.76 121.76 119.47 3imm s ALA 131 Ca 0.61 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.71 3imm s ALA 131 Cb -0.16 -3.06 0.80 0.00 0.00 0.00 0.00 23.12 20.69 3imm s ALA 131 CO 0.56 -0.33 2.00 -0.39 0.00 0.00 0.00 175.76 177.60 3imm h VAL 132 N 0.62 1.13 -3.39 0.00 -1.51 -1.05 -3.44 116.25 108.61 3imm h VAL 132 Ca -0.46 -0.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.56 3imm h VAL 132 Cb 1.19 0.73 -0.11 0.00 -2.13 0.00 0.00 31.29 30.96 3imm h VAL 132 CO 0.62 0.16 -0.04 0.00 -1.23 0.00 0.00 177.57 177.08 3imm s GLN 133 N -5.24 1.28 0.58 5.19 -2.07 -1.26 -5.16 119.66 112.98 3imm s GLN 133 Ca -0.08 -0.86 0.08 0.00 -1.82 0.00 0.00 55.36 52.68 3imm s GLN 133 Cb 0.17 0.49 0.08 0.00 -1.09 0.00 0.00 33.01 32.66 3imm s GLN 133 CO 0.74 -0.53 0.70 -0.40 -1.32 0.00 0.00 175.29 174.48 3imm n ASP 134 N -0.30 2.35 -2.21 12.60 5.68 -1.26 -4.56 116.55 128.85 3imm n ASP 134 Ca -0.11 -2.68 -0.15 0.00 -0.50 0.00 0.00 54.79 51.35 3imm n ASP 134 Cb 0.63 -0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 40.27 3imm n ASP 134 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3imm n LYS 135 N -2.15 -1.90 0.08 0.11 5.02 -1.26 -4.81 118.16 113.26 3imm n LYS 135 Ca 0.11 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 3imm n LYS 135 Cb 0.62 -5.30 -0.09 0.00 -0.02 0.00 0.00 35.03 30.24 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 1.60 -3.93 -0.18 2.07 -1.94 -3.44 116.25 110.43 3imm h VAL 136 Ca -0.34 -3.12 -0.54 0.00 0.82 0.00 0.00 66.70 63.53 3imm h VAL 136 Cb 1.20 2.78 0.10 0.00 -1.52 0.00 0.00 31.29 33.84 3imm h VAL 136 CO 0.42 0.90 0.74 0.54 0.02 0.00 0.00 177.57 180.19 3imm s VAL 137 N -2.82 2.21 1.01 2.57 0.11 -1.26 -4.80 120.40 117.42 3imm s VAL 137 Ca -0.01 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.10 3imm s VAL 137 Cb 0.09 -3.13 0.20 0.00 -1.53 0.00 0.00 36.38 32.01 3imm s VAL 137 CO 0.84 0.05 1.17 -0.54 -3.33 0.00 0.00 175.10 173.28 3imm s LYS 138 N -2.05 0.30 0.75 1.54 1.02 -1.26 -4.93 119.74 115.11 3imm s LYS 138 Ca 0.52 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 56.46 3imm s LYS 138 Cb -0.45 -1.76 0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3imm s LYS 138 CO 0.60 -2.72 1.08 0.15 -0.92 0.00 0.00 175.35 173.54 3imm s LYS 139 N -5.43 2.45 0.30 1.68 1.02 -1.26 -4.87 119.74 113.64 3imm s LYS 139 Ca 0.68 1.04 -0.27 0.00 0.02 0.00 0.00 55.97 57.44 3imm s LYS 139 Cb -0.11 -1.93 -0.14 0.00 -0.52 0.00 0.00 37.83 35.13 3imm s LYS 139 CO 0.54 -1.47 0.91 -2.30 -0.92 0.00 0.00 175.35 172.12 3imm n PRO 140 N -3.39 1.14 0.00 -1.68 -0.02 -1.26 -2.04 135.00 127.74 3imm n PRO 140 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3imm n PRO 140 Cb 0.53 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.35 3.01 3.91 -1.23 0.00 -0.22 -4.96 105.19 107.04 3imm n GLY 141 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.63 3.58 -0.02 1.61 0.41 -0.87 -4.96 118.70 117.82 3imm s GLU 142 Ca 0.00 -0.19 -0.24 0.00 -0.41 0.00 0.00 54.97 54.13 3imm s GLU 142 Cb 0.00 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.47 3imm s GLU 142 CO 0.00 0.43 0.73 -1.58 -0.49 0.00 0.00 175.26 174.34 3imm s TRP 143 N -1.77 3.64 0.32 1.61 0.52 -1.26 -4.12 118.94 117.89 3imm s TRP 143 Ca 0.40 1.35 0.08 0.00 0.02 0.00 0.00 56.10 57.95 3imm s TRP 143 Cb -0.12 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.36 3imm s TRP 143 CO 0.27 0.17 0.20 -0.80 0.02 0.00 0.00 176.95 176.81 3imm s ASN 144 N 0.44 5.05 0.46 2.95 0.01 0.13 -4.95 114.94 119.02 3imm s ASN 144 Ca 0.38 -0.57 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 3imm s ASN 144 Cb -0.19 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.53 3imm s ASN 144 CO 0.20 -0.27 0.06 1.57 -1.51 0.00 0.00 177.10 177.16 3imm n HIS 145 N -1.23 0.74 -3.67 2.20 -0.00 -1.26 -1.93 115.22 110.06 3imm n HIS 145 Ca -0.03 -2.54 -0.11 0.00 -0.00 0.00 0.00 57.72 55.04 3imm n HIS 145 Cb 0.60 -0.20 -0.09 0.00 -0.00 0.00 0.00 29.99 30.31 3imm n HIS 145 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 3imm s ARG 147 N -3.71 0.61 -0.16 1.57 3.52 0.17 -0.13 118.95 120.82 3imm s ARG 147 Ca 0.09 0.92 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 3imm s ARG 147 Cb 0.00 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 3imm s ARG 147 CO 0.06 -0.12 -0.15 0.42 -0.81 0.00 0.00 175.30 174.70 3imm s ILE 148 N 0.97 1.70 -0.25 4.11 1.01 -0.13 -0.88 121.20 127.73 3imm s ILE 148 Ca -0.05 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3imm s ILE 148 Cb -0.05 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3imm s ILE 148 CO -0.09 0.43 0.06 -0.54 0.00 0.00 0.00 174.94 174.81 3imm s LYS 149 N 1.42 3.60 -0.63 2.79 1.02 -1.26 -0.18 119.74 126.50 3imm s LYS 149 Ca 0.04 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 3imm s LYS 149 Cb -0.13 -3.29 0.16 0.00 -0.52 0.00 0.00 37.83 34.04 3imm s LYS 149 CO -0.11 -0.20 0.43 0.00 -0.92 0.00 0.00 175.35 174.55 3imm s ALA 151 N -0.26 4.37 0.00 0.00 0.00 0.12 -2.07 121.76 123.92 3imm s ALA 151 Ca 0.18 -3.79 0.00 0.00 0.00 0.00 0.00 51.96 48.35 3imm s ALA 151 Cb -0.20 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3imm s ALA 151 CO -0.03 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 173.96 3imm n GLY 152 N 2.60 3.55 0.00 0.00 0.00 -1.26 -1.12 105.19 108.96 3imm n GLY 152 Ca 0.21 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.46 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 0.27 -3.64 1.61 6.02 -1.26 -4.65 117.38 129.74 3imm n GLN 153 Ca 0.00 0.10 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 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 -1.58 -1.01 0.00 0.00 177.06 174.47 3imm s HIS 154 N -2.58 3.18 0.52 1.08 2.46 -0.27 -4.26 115.29 115.41 3imm s HIS 154 Ca 0.18 -0.32 0.01 0.00 0.47 0.00 0.00 55.06 55.40 3imm s HIS 154 Cb 0.13 -2.36 -0.01 0.00 -0.13 0.00 0.00 32.58 30.22 3imm s HIS 154 CO 0.30 -0.35 0.03 0.42 -2.47 0.00 0.00 174.74 172.67 3imm s ILE 155 N 1.67 1.16 -0.30 0.89 1.01 -1.26 0.13 121.20 124.50 3imm s ILE 155 Ca 0.06 -1.97 -0.16 0.00 0.00 0.00 0.00 60.65 58.59 3imm s ILE 155 Cb -0.16 -2.12 0.16 0.00 0.01 0.00 0.00 42.46 40.35 3imm s ILE 155 CO 0.08 0.00 1.01 -0.69 0.00 0.00 0.00 174.94 175.34 3imm s VAL 157 N -2.88 -0.23 -0.15 2.92 1.01 0.04 -4.20 120.40 116.92 3imm s VAL 157 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3imm s VAL 157 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3imm s VAL 157 CO 0.03 0.00 -0.17 -0.63 0.00 0.00 0.00 175.10 174.33 3imm s ILE 158 N 1.84 2.49 -0.13 2.22 1.01 -0.06 -0.64 121.20 127.93 3imm s ILE 158 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3imm s ILE 158 Cb -0.04 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.41 3imm s ILE 158 CO -0.16 0.52 -0.14 -0.22 0.00 0.00 0.00 174.94 174.95 3imm s LEU 159 N 0.83 1.65 -1.51 2.97 2.96 0.16 -0.65 118.68 125.08 3imm s LEU 159 Ca -0.06 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3imm s LEU 159 Cb -0.15 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.45 3imm s LEU 159 CO -0.01 -0.03 0.27 0.59 -1.32 0.00 0.00 176.35 175.85 3imm n ASN 160 N 4.54 -0.05 0.00 3.68 3.02 0.82 -1.47 115.26 125.80 3imm n ASN 160 Ca -0.17 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3imm n ASN 160 Cb 0.51 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 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 -2.16 1.47 3.26 7.41 0.00 -1.26 -5.01 105.19 108.90 3imm n GLY 161 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.03 3.19 -0.23 1.61 2.20 -0.54 -5.07 119.74 120.87 3imm s LYS 162 Ca 0.00 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.55 3imm s LYS 162 Cb 0.00 -2.56 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 3imm s LYS 162 CO 0.00 0.06 1.53 0.21 -0.36 0.00 0.00 175.35 176.78 3imm s LYS 163 N 0.70 3.86 -0.04 4.03 2.20 -1.26 0.35 119.74 129.59 3imm s LYS 163 Ca -0.08 1.59 0.11 0.00 -0.36 0.00 0.00 55.97 57.23 3imm s LYS 163 Cb -0.16 -3.98 -0.17 0.00 -1.51 0.00 0.00 37.83 32.01 3imm s LYS 163 CO 0.01 -1.20 0.20 1.33 -0.36 0.00 0.00 175.35 175.33 3imm n VAL 164 N 6.26 0.16 -3.72 4.02 0.24 0.19 -4.87 118.33 120.62 3imm n VAL 164 Ca 0.18 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 3imm n VAL 164 Cb 0.45 0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.67 -0.03 0.12 3.34 2.01 -1.13 -0.38 115.64 116.90 3imm s THR 165 Ca -0.04 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 3imm s THR 165 Cb 0.06 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3imm s THR 165 CO 0.46 0.04 0.01 -0.70 -0.69 0.00 0.00 174.62 173.74 3imm s GLU 166 N 1.15 0.89 0.28 4.92 2.12 -1.26 -0.78 118.70 126.01 3imm s GLU 166 Ca -0.08 -1.40 -0.19 0.00 0.36 0.00 0.00 54.97 53.66 3imm s GLU 166 Cb -0.08 0.08 0.07 0.00 0.26 0.00 0.00 34.13 34.46 3imm s GLU 166 CO -0.09 -0.18 0.92 0.34 -0.54 0.00 0.00 175.26 175.71 3imm s ASP 168 N -3.05 -0.00 0.00 -1.70 2.15 -1.26 -4.99 116.67 107.82 3imm s ASP 168 Ca 0.19 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.29 3imm s ASP 168 Cb 0.07 0.66 0.00 0.00 -0.30 0.00 0.00 42.92 43.35 3imm s ASP 168 CO -0.01 -1.31 0.00 -1.54 -0.17 0.00 0.00 175.17 172.14 3imm n SER 170 N -1.28 0.00 0.22 -0.34 3.41 -1.26 -4.30 113.62 110.07 3imm n SER 170 Ca -0.05 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3imm n SER 170 Cb 0.60 -0.07 0.35 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.98 4.33 1.57 -1.96 -3.39 116.57 114.14 3imm h LYS 171 Ca 0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 3imm h LYS 171 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 3imm h LYS 171 CO 0.00 0.13 2.80 0.91 -0.57 0.00 0.00 179.45 182.72 3imm n TRP 172 N -3.18 2.68 0.62 -1.35 8.01 -1.26 -4.70 117.44 118.26 3imm n TRP 172 Ca 0.02 -2.90 0.13 0.00 -1.31 0.00 0.00 57.50 53.44 3imm n TRP 172 Cb 0.48 -2.09 0.40 0.00 -2.01 0.00 0.00 31.31 28.09 3imm n TRP 172 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3imm n THR 173 N 2.77 0.61 -4.14 -0.99 -2.24 -1.26 -1.04 114.28 107.98 3imm n THR 173 Ca 0.62 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.79 3imm n THR 173 Cb 0.27 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 3imm n THR 173 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3imm s SER 174 N -4.56 5.45 0.00 3.42 0.15 -1.26 -4.82 113.70 112.09 3imm s SER 174 Ca 0.11 0.05 0.20 0.00 0.70 0.00 0.00 55.95 57.00 3imm s SER 174 Cb 0.12 -1.49 0.26 0.00 -1.71 0.00 0.00 66.02 63.20 3imm s SER 174 CO 0.60 0.25 1.21 0.61 1.20 0.00 0.00 173.24 177.11 3imm n GLY 175 N 1.06 1.08 0.03 9.45 0.00 -1.26 -4.38 105.19 111.17 3imm n GLY 175 Ca -0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 1.17 0.43 -4.59 2.61 -2.24 -1.26 -4.22 114.28 106.18 3imm n THR 176 Ca 0.14 -0.34 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 3imm n THR 176 Cb 0.52 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.36 1.23 0.62 -0.78 -0.14 -1.26 -1.37 119.74 115.69 3imm s LYS 177 Ca -0.04 -0.45 -0.13 0.00 -1.36 0.00 0.00 55.97 53.99 3imm s LYS 177 Cb 0.04 -1.13 -0.03 0.00 -1.68 0.00 0.00 37.83 35.03 3imm s LYS 177 CO 0.38 0.21 1.04 -0.80 -0.76 0.00 0.00 175.35 175.42 3imm s ASN 178 N -0.02 5.81 0.31 2.83 0.01 0.12 -4.41 114.94 119.60 3imm s ASN 178 Ca -0.01 1.65 0.09 0.00 -0.71 0.00 0.00 52.86 53.88 3imm s ASN 178 Cb -0.08 -2.51 0.88 0.00 0.41 0.00 0.00 41.25 39.95 3imm s ASN 178 CO 0.01 -1.15 1.69 -0.65 -1.51 0.00 0.00 177.10 175.49 3imm h PRO 179 N -0.04 0.40 0.00 -0.60 0.11 -1.88 0.18 132.00 130.17 3imm h PRO 179 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3imm h PRO 179 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3imm h PRO 179 CO 0.58 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 3imm n ASP 180 N -5.02 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.02 3imm n ASP 180 Ca 0.26 -0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 3imm n ASP 180 Cb 0.78 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.39 0.11 3.76 6.12 0.00 0.64 -5.08 105.19 111.14 3imm n GLY 181 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.17 5.45 0.14 1.61 1.04 -1.26 -4.66 113.70 113.85 3imm s SER 182 Ca 0.00 2.34 -0.31 0.00 0.48 0.00 0.00 55.95 58.46 3imm s SER 182 Cb 0.00 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.45 3imm s SER 182 CO 0.00 -1.42 1.30 -1.81 0.98 0.00 0.00 173.24 172.30 3imm s ASP 183 N -1.59 6.93 0.19 7.02 1.01 -1.26 -0.70 116.67 128.27 3imm s ASP 183 Ca 0.74 2.28 -0.28 0.00 0.71 0.00 0.00 52.55 56.01 3imm s ASP 183 Cb -0.29 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 40.97 3imm s ASP 183 CO 0.32 -0.54 0.86 -0.63 0.21 0.00 0.00 175.17 175.39 3imm s ILE 184 N 0.61 4.28 0.14 0.77 1.01 -0.47 -4.86 121.20 122.67 3imm s ILE 184 Ca 0.59 1.89 -0.34 0.00 0.00 0.00 0.00 60.65 62.79 3imm s ILE 184 Cb -0.35 -4.23 -0.17 0.00 0.01 0.00 0.00 42.46 37.72 3imm s ILE 184 CO 0.34 0.49 1.14 -2.65 0.00 0.00 0.00 174.94 174.26 3imm n PRO 185 N 1.72 0.94 0.19 2.79 -0.02 -1.26 -4.84 135.00 134.51 3imm n PRO 185 Ca -0.03 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 3imm n PRO 185 Cb 0.48 -1.83 0.66 0.00 -0.02 0.00 0.00 33.50 32.79 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 3.40 0.00 -0.23 2.55 4.64 -1.95 -0.62 113.55 121.34 3imm h SER 186 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3imm h SER 186 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3imm h SER 186 CO 0.70 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.99 3imm n TRP 187 N -2.41 0.30 -3.13 4.77 2.14 -1.26 -4.27 117.44 113.58 3imm n TRP 187 Ca -0.01 -0.15 -0.24 0.00 2.07 0.00 0.00 57.50 59.17 3imm n TRP 187 Cb 0.09 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.55 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 0.50 2.91 0.00 5.67 4.77 -0.24 -4.38 117.00 126.22 3imm n LEU 188 Ca 0.16 -5.35 0.14 0.00 -0.03 0.00 0.00 56.01 50.93 3imm n LEU 188 Cb 0.36 -0.12 0.63 0.00 -2.33 0.00 0.00 43.42 41.96 3imm n LEU 188 CO 0.12 2.25 0.96 -0.81 -1.33 0.00 0.00 177.39 178.58 3imm n PRO 189 N 0.30 0.03 -2.72 3.23 -0.04 -1.26 -4.79 135.00 129.75 3imm n PRO 189 Ca 0.28 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 3imm n PRO 189 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.97 4.30 0.16 0.54 1.02 -1.26 -4.24 119.74 117.29 3imm s LYS 190 Ca 0.15 1.28 -0.33 0.00 0.02 0.00 0.00 55.97 57.08 3imm s LYS 190 Cb 0.19 -3.61 -0.13 0.00 -0.52 0.00 0.00 37.83 33.76 3imm s LYS 190 CO 0.52 -0.49 1.64 -2.30 -0.92 0.00 0.00 175.35 173.80 3imm n PRO 191 N 5.78 2.36 0.27 -1.68 -0.02 -1.26 -4.73 135.00 135.72 3imm n PRO 191 Ca 0.09 0.85 0.14 0.00 -2.02 0.00 0.00 63.50 62.57 3imm n PRO 191 Cb 0.47 -2.65 0.75 0.00 -0.02 0.00 0.00 33.50 32.06 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 6.42 0.00 0.00 6.00 -1.00 -1.68 -1.86 116.94 124.81 3imm h PHE 192 Ca -0.45 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.33 3imm h PHE 192 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3imm h PHE 192 CO 0.65 0.10 0.00 0.00 -1.61 0.00 0.00 178.31 177.44 3imm h ALA 193 N 1.90 1.00 -0.01 2.45 0.00 -1.39 -2.62 119.26 120.60 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 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3imm h ALA 193 CO 0.01 0.00 -0.39 0.39 0.00 0.00 0.00 179.25 179.26 3imm n GLU 194 N -2.80 2.31 -2.14 0.00 1.02 -0.71 -4.81 120.64 113.51 3imm n GLU 194 Ca -0.01 -0.43 -0.38 0.00 -0.02 0.00 0.00 57.16 56.32 3imm n GLU 194 Cb 0.12 -1.14 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3imm n GLU 194 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3imm s LEU 195 N -2.11 4.08 0.67 -4.62 1.43 -0.99 -5.01 118.68 112.13 3imm s LEU 195 Ca 0.08 2.47 -0.17 0.00 -1.03 0.00 0.00 54.13 55.48 3imm s LEU 195 Cb 0.10 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.22 3imm s LEU 195 CO 0.39 -0.94 1.29 -2.84 0.23 0.00 0.00 176.35 174.48 3imm s PRO 196 N -2.51 2.41 -0.35 1.29 0.02 -1.26 -4.97 135.00 129.64 3imm s PRO 196 Ca 0.61 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.73 3imm s PRO 196 Cb -0.33 -1.83 0.46 0.00 0.02 0.00 0.00 34.50 32.81 3imm s PRO 196 CO 0.41 -1.70 1.32 0.25 -0.33 0.00 0.00 177.00 176.95 3imm n THR 197 N -2.10 2.69 -3.75 0.99 -2.24 -1.26 -4.90 114.28 103.71 3imm n THR 197 Ca 0.16 -4.00 -0.13 0.00 -2.27 0.00 0.00 64.05 57.81 3imm n THR 197 Cb 0.48 -1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.63 0.39 0.00 -0.78 2.20 -1.26 -4.51 119.74 112.14 3imm s LYS 198 Ca 0.53 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 3imm s LYS 198 Cb 0.42 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.89 3imm s LYS 198 CO 0.03 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3imm n GLY 199 N 3.17 -1.15 3.75 5.54 0.00 -0.98 -4.48 105.19 111.05 3imm n GLY 199 Ca -0.15 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 2.40 -0.02 1.61 0.08 0.14 -0.74 117.98 118.46 3imm s PHE 200 Ca 0.00 1.59 0.06 0.00 0.12 0.00 0.00 56.93 58.70 3imm s PHE 200 Cb 0.00 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 3imm s PHE 200 CO 0.00 -1.99 -0.19 0.42 -0.10 0.00 0.00 175.22 173.37 3imm s ILE 201 N -2.67 2.70 0.17 0.64 1.01 -1.26 -1.65 121.20 120.14 3imm s ILE 201 Ca 0.64 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3imm s ILE 201 Cb -0.20 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3imm s ILE 201 CO 0.52 0.52 0.35 -0.83 0.00 0.00 0.00 174.94 175.50 3imm s GLY 202 N -0.90 0.27 -0.06 6.18 0.00 -0.32 -0.47 107.32 112.02 3imm s GLY 202 Ca 0.12 -0.65 0.05 0.00 0.00 0.00 0.00 44.72 44.24 3imm s GLY 202 CO 0.01 -0.65 -0.22 1.08 0.00 0.00 0.00 173.10 173.32 3imm s LEU 203 N -2.93 2.01 0.59 0.66 1.43 -0.32 -0.34 118.68 119.78 3imm s LEU 203 Ca 0.14 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 3imm s LEU 203 Cb 0.02 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3imm s LEU 203 CO -0.02 0.19 1.15 -1.10 0.23 0.00 0.00 176.35 176.81 3imm s GLN 204 N 0.02 3.09 0.00 1.70 -0.21 -0.78 -1.80 119.66 121.69 3imm s GLN 204 Ca -0.07 1.64 0.00 0.00 0.02 0.00 0.00 55.36 56.95 3imm s GLN 204 Cb -0.14 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.90 3imm s GLN 204 CO 0.04 -1.07 0.00 0.41 -2.12 0.00 0.00 175.29 172.56 3imm n GLY 205 N 0.15 -0.54 3.62 3.09 0.00 -1.22 -4.73 105.19 105.56 3imm n GLY 205 Ca 0.12 -1.73 -0.56 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.73 0.90 -4.76 1.61 4.81 -0.93 -4.84 118.16 114.21 3imm n LYS 206 Ca 0.00 0.33 -0.33 0.00 -0.87 0.00 0.00 58.31 57.43 3imm n LYS 206 Cb 0.00 -1.95 -0.13 0.00 0.02 0.00 0.00 35.03 32.97 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 1.49 2.81 0.00 5.64 5.65 -1.23 -3.32 115.29 126.34 3imm s HIS 207 Ca 0.91 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.94 3imm s HIS 207 Cb -1.08 -1.74 0.00 0.00 -1.18 0.00 0.00 32.58 28.58 3imm s HIS 207 CO 0.56 0.07 0.00 0.41 -0.65 0.00 0.00 174.74 175.14 3imm n GLY 208 N 2.78 2.03 2.19 1.59 0.00 -1.26 -1.55 105.19 110.97 3imm n GLY 208 Ca -0.18 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 3imm n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3imm n ASP 209 N -0.21 4.62 -4.10 1.61 -0.08 -1.26 -4.94 116.55 112.19 3imm n ASP 209 Ca 0.00 -3.57 -0.30 0.00 -1.51 0.00 0.00 54.79 49.42 3imm n ASP 209 Cb 0.00 -0.86 -0.17 0.00 2.34 0.00 0.00 41.12 42.43 3imm n ASP 209 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3imm s SER 210 N -1.28 2.67 0.73 1.67 0.01 -0.59 -5.05 113.70 111.85 3imm s SER 210 Ca 0.56 -0.49 -0.10 0.00 1.31 0.00 0.00 55.95 57.23 3imm s SER 210 Cb 0.46 -1.21 0.05 0.00 0.21 0.00 0.00 66.02 65.53 3imm s SER 210 CO 0.08 0.04 1.08 -0.76 0.41 0.00 0.00 173.24 174.09 3imm s LEU 211 N 0.90 2.76 -0.07 2.44 1.43 -1.26 -3.48 118.68 121.39 3imm s LEU 211 Ca -0.07 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 53.63 3imm s LEU 211 Cb -0.15 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3imm s LEU 211 CO -0.01 -1.60 0.38 -0.51 0.23 0.00 0.00 176.35 174.84 3imm s ILE 212 N -3.37 0.03 0.06 -0.59 2.07 -1.26 -3.10 121.20 115.04 3imm s ILE 212 Ca 0.60 -0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.65 3imm s ILE 212 Cb -0.11 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.83 3imm s ILE 212 CO 0.48 -0.13 -0.14 0.26 -1.91 0.00 0.00 174.94 173.50 3imm s TRP 213 N -0.68 1.19 0.13 3.50 0.51 -0.90 -4.32 118.94 118.37 3imm s TRP 213 Ca -0.08 -0.42 0.05 0.00 -2.12 0.00 0.00 56.10 53.54 3imm s TRP 213 Cb -0.04 -0.68 -0.04 0.00 -0.81 0.00 0.00 33.47 31.90 3imm s TRP 213 CO 0.03 0.04 -0.12 -0.06 -0.51 0.00 0.00 176.95 176.33 3imm s PHE 214 N -1.11 1.32 0.23 -1.98 0.08 -0.30 -0.33 117.98 115.90 3imm s PHE 214 Ca -0.01 -0.63 -0.15 0.00 0.12 0.00 0.00 56.93 56.26 3imm s PHE 214 Cb -0.09 -0.68 0.01 0.00 -0.57 0.00 0.00 43.02 41.68 3imm s PHE 214 CO 0.02 0.12 0.51 -0.98 -0.10 0.00 0.00 175.22 174.79 3imm s ARG 215 N -3.03 1.50 -1.52 0.44 1.70 -0.71 -0.91 118.95 116.42 3imm s ARG 215 Ca 0.11 -1.09 -0.13 0.00 -0.47 0.00 0.00 55.73 54.15 3imm s ARG 215 Cb -0.02 0.50 0.08 0.00 -0.57 0.00 0.00 34.95 34.93 3imm s ARG 215 CO 0.02 -0.64 1.00 0.09 -1.08 0.00 0.00 175.30 174.70 3imm n ASN 216 N -0.37 -4.91 -4.61 -2.89 3.02 -1.26 -1.35 115.26 102.89 3imm n ASN 216 Ca -0.05 -0.76 -0.43 0.00 -0.03 0.00 0.00 54.58 53.31 3imm n ASN 216 Cb 0.62 -4.00 -0.02 0.00 -0.61 0.00 0.00 39.78 35.77 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 -3.31 4.25 0.14 2.41 1.01 -1.26 -3.95 121.20 120.49 3imm s ILE 217 Ca 0.65 1.31 0.04 0.00 0.00 0.00 0.00 60.65 62.65 3imm s ILE 217 Cb -0.32 -4.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.56 3imm s ILE 217 CO 0.82 -0.90 -0.10 -1.59 0.00 0.00 0.00 174.94 173.17 3imm s LYS 218 N 4.33 1.03 0.01 2.79 -2.85 0.45 -0.94 119.74 124.57 3imm s LYS 218 Ca 0.48 -1.44 0.01 0.00 -1.00 0.00 0.00 55.97 54.03 3imm s LYS 218 Cb -0.08 -0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 35.10 3imm s LYS 218 CO 0.29 0.07 -0.05 -1.50 0.10 0.00 0.00 175.35 174.25 3imm s ILE 219 N -3.35 0.36 0.06 3.79 2.07 0.01 -0.83 121.20 123.29 3imm s ILE 219 Ca 0.16 -0.56 -0.14 0.00 -1.41 0.00 0.00 60.65 58.70 3imm s ILE 219 Cb 0.03 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.26 3imm s ILE 219 CO -0.00 -0.15 0.31 0.00 -1.91 0.00 0.00 174.94 173.20 3imm s ARG 220 N -0.76 0.85 0.47 3.50 1.70 -0.79 -1.21 118.95 122.72 3imm s ARG 220 Ca -0.05 -0.55 -0.23 0.00 -0.47 0.00 0.00 55.73 54.44 3imm s ARG 220 Cb -0.05 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.62 3imm s ARG 220 CO -0.00 -0.28 1.19 0.45 -1.08 0.00 0.00 175.30 175.57 3imm s SER 221 N -2.20 6.04 0.00 -2.89 0.15 -1.26 -0.71 113.70 112.82 3imm s SER 221 Ca -0.03 2.35 0.31 0.00 0.70 0.00 0.00 55.95 59.28 3imm s SER 221 Cb -0.00 -2.61 1.78 0.00 -1.71 0.00 0.00 66.02 63.48 3imm s SER 221 CO -0.05 -1.01 2.16 0.18 1.20 0.00 0.00 173.24 175.72