#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6s s SER 21 N 0.00 -0.49 -0.03 1.61 1.04 -0.93 -5.00 113.70 109.90 1k6s s SER 21 Ca 0.00 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.33 1k6s s SER 21 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1k6s s SER 21 CO 0.00 -0.94 0.07 -0.51 0.98 0.00 0.00 173.24 172.84 1k6s s ILE 22 N -3.65 0.01 0.04 -1.02 2.07 -1.26 0.21 121.20 117.60 1k6s s ILE 22 Ca 0.03 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1k6s s ILE 22 Cb -0.01 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 1k6s s ILE 22 CO -0.10 -0.03 -0.11 -0.89 -1.91 0.00 0.00 174.94 171.89 1k6s s THR 23 N -0.07 0.87 -0.01 4.00 2.01 -0.14 -4.94 115.64 117.36 1k6s s THR 23 Ca -0.01 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1k6s s THR 23 Cb -0.01 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 1k6s s THR 23 CO 0.00 -0.09 0.43 -0.70 -0.69 0.00 0.00 174.62 173.57 1k6s s GLU 24 N -1.14 4.01 -0.41 4.92 2.12 -1.26 -1.11 118.70 125.83 1k6s s GLU 24 Ca -0.01 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1k6s s GLU 24 Cb -0.08 -3.26 0.14 0.00 0.26 0.00 0.00 34.13 31.20 1k6s s GLU 24 CO 0.01 0.60 0.24 1.21 -0.54 0.00 0.00 175.26 176.78 1k6s s ASN 25 N -0.80 3.23 0.00 -1.70 2.47 0.27 -4.87 114.94 113.54 1k6s s ASN 25 Ca 0.24 -2.53 0.10 0.00 0.42 0.00 0.00 52.86 51.09 1k6s s ASN 25 Cb -0.17 -0.75 0.43 0.00 -1.45 0.00 0.00 41.25 39.31 1k6s s ASN 25 CO 0.13 -0.27 1.27 0.35 -3.72 0.00 0.00 177.10 174.86 1k6s n THR 26 N 3.63 1.17 0.23 -5.21 -2.24 -1.26 -2.59 114.28 108.01 1k6s n THR 26 Ca 0.12 0.29 0.06 0.00 -2.27 0.00 0.00 64.05 62.26 1k6s n THR 26 Cb 0.37 -1.13 0.55 0.00 -2.10 0.00 0.00 70.33 68.01 1k6s n THR 26 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1k6s h SER 27 N 0.00 0.00 0.36 3.42 4.64 -1.94 -1.76 113.55 118.27 1k6s h SER 27 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1k6s h SER 27 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1k6s h SER 27 CO 0.00 0.14 -0.10 -0.50 -0.87 0.00 0.00 176.83 175.50 1k6s h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.87 -2.24 115.95 123.16 1k6s h TRP 28 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1k6s h TRP 28 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1k6s h TRP 28 CO 0.00 0.10 0.25 -0.91 -1.05 0.00 0.00 178.44 176.83 1k6s h ASN 29 N 0.00 0.00 -0.26 -3.49 2.35 -1.54 -1.59 115.58 111.04 1k6s h ASN 29 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1k6s h ASN 29 Cb 0.31 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 1k6s h ASN 29 CO 0.01 0.00 -0.31 0.50 -1.65 0.00 0.00 177.43 175.99 1k6s h LYS 30 N 0.00 -0.30 0.00 0.81 3.64 -1.59 0.23 116.57 119.36 1k6s h LYS 30 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1k6s h LYS 30 Cb 0.50 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1k6s h LYS 30 CO 0.00 -0.20 -0.07 0.93 -2.27 0.00 0.00 179.45 177.84 1k6s h GLU 31 N -0.31 0.00 0.11 1.90 4.39 -1.53 -1.95 114.58 117.19 1k6s h GLU 31 Ca 0.13 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.68 1k6s h GLU 31 Cb 0.53 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1k6s h GLU 31 CO -0.43 0.07 -0.68 0.74 -1.16 0.00 0.00 179.01 177.55 1k6s h PHE 32 N 0.00 0.47 -0.10 4.33 0.04 -0.97 -3.31 116.94 117.41 1k6s h PHE 32 Ca -0.00 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.42 1k6s h PHE 32 Cb 0.23 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1k6s h PHE 32 CO 0.00 1.25 0.02 0.77 -0.60 0.00 0.00 178.31 179.75 1k6s h SER 33 N -0.44 0.15 -0.41 2.17 0.02 -0.42 0.15 113.55 114.76 1k6s h SER 33 Ca -0.12 -0.25 0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1k6s h SER 33 Cb 1.52 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.01 1k6s h SER 33 CO 0.13 0.36 0.58 0.00 -1.14 0.00 0.00 176.83 176.76 1k6s h ALA 34 N 0.80 2.10 -0.12 3.77 0.00 -1.51 0.54 119.26 124.83 1k6s h ALA 34 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k6s h ALA 34 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1k6s h ALA 34 CO 0.00 -0.79 0.00 0.39 0.00 0.00 0.00 179.25 178.85 1k6s n GLU 35 N -3.41 1.31 -3.71 0.00 -0.58 -1.02 -4.98 120.64 108.25 1k6s n GLU 35 Ca 0.08 -1.43 -0.26 0.00 -0.42 0.00 0.00 57.16 55.13 1k6s n GLU 35 Cb 0.74 -1.21 0.06 0.00 -0.57 0.00 0.00 31.44 30.46 1k6s n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k6s n ALA 36 N 0.51 -1.37 -2.58 0.62 0.00 0.19 -4.98 120.51 112.89 1k6s n ALA 36 Ca 0.08 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 1k6s n ALA 36 Cb 0.31 -4.88 -0.13 0.00 0.00 0.00 0.00 19.45 14.75 1k6s n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k6s s VAL 37 N -3.33 3.10 -0.31 0.00 1.01 0.40 -5.01 120.40 116.26 1k6s s VAL 37 Ca 0.56 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1k6s s VAL 37 Cb -0.26 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1k6s s VAL 37 CO 0.77 0.58 0.13 0.20 0.00 0.00 0.00 175.10 176.78 1k6s s ASN 38 N -0.55 5.41 0.05 3.32 0.01 -1.26 -4.44 114.94 117.48 1k6s s ASN 38 Ca 0.08 -0.58 -0.06 0.00 -0.71 0.00 0.00 52.86 51.58 1k6s s ASN 38 Cb -0.12 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.60 1k6s s ASN 38 CO 0.01 -0.19 0.29 0.61 -1.51 0.00 0.00 177.10 176.31 1k6s n GLY 39 N 4.94 1.11 3.00 0.66 0.00 -1.26 -1.84 105.19 111.80 1k6s n GLY 39 Ca -0.14 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1k6s n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6s s VAL 40 N -2.43 0.12 -0.06 1.61 0.11 -0.14 -4.87 120.40 114.75 1k6s s VAL 40 Ca 0.06 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1k6s s VAL 40 Cb -0.01 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1k6s s VAL 40 CO 0.02 -0.56 -0.09 0.12 -3.33 0.00 0.00 175.10 171.25 1k6s s PHE 41 N -1.76 1.19 -0.12 1.54 5.36 -1.26 -2.05 117.98 120.87 1k6s s PHE 41 Ca -0.13 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.46 1k6s s PHE 41 Cb -0.08 -0.91 0.01 0.00 -0.34 0.00 0.00 43.02 41.70 1k6s s PHE 41 CO -0.02 -0.24 -0.21 0.08 -1.46 0.00 0.00 175.22 173.37 1k6s s VAL 42 N 0.74 1.96 -0.10 3.12 1.01 0.05 -3.39 120.40 123.79 1k6s s VAL 42 Ca -0.13 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1k6s s VAL 42 Cb -0.15 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1k6s s VAL 42 CO 0.02 0.53 -0.06 -0.22 0.00 0.00 0.00 175.10 175.38 1k6s s LEU 43 N 0.72 1.06 -0.03 3.92 2.96 -0.58 -1.31 118.68 125.41 1k6s s LEU 43 Ca -0.10 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1k6s s LEU 43 Cb -0.16 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 1k6s s LEU 43 CO 0.01 -0.13 -0.23 0.00 -1.32 0.00 0.00 176.35 174.68 1k6s s LYS 45 N -0.57 3.86 0.21 0.00 2.20 0.23 -1.47 119.74 124.20 1k6s s LYS 45 Ca 0.08 -0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.29 1k6s s LYS 45 Cb -0.11 -3.69 0.15 0.00 -1.51 0.00 0.00 37.83 32.67 1k6s s LYS 45 CO -0.00 -0.27 1.87 1.03 -0.36 0.00 0.00 175.35 177.62 1k6s h SER 46 N 8.35 0.86 -0.39 1.43 0.87 -1.43 0.14 113.55 123.38 1k6s h SER 46 Ca -0.33 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1k6s h SER 46 Cb 1.18 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1k6s h SER 46 CO 0.59 0.64 0.23 0.77 -0.53 0.00 0.00 176.83 178.53 1k6s h SER 47 N 1.01 0.48 0.52 6.23 4.64 -1.94 -2.68 113.55 121.80 1k6s h SER 47 Ca 0.27 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1k6s h SER 47 Cb -0.09 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1k6s h SER 47 CO -0.06 0.40 -0.43 -1.54 -0.87 0.00 0.00 176.83 174.33 1k6s n SER 48 N -4.77 0.50 -3.42 4.97 3.41 -1.21 -4.94 113.62 108.17 1k6s n SER 48 Ca 0.00 -0.25 -0.25 0.00 -0.26 0.00 0.00 58.87 58.12 1k6s n SER 48 Cb 0.06 0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.21 1k6s n SER 48 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1k6s n LYS 49 N -1.42 -4.83 -5.22 4.33 3.00 0.45 -4.85 118.16 109.62 1k6s n LYS 49 Ca 0.06 0.68 -0.30 0.00 -0.00 0.00 0.00 58.31 58.75 1k6s n LYS 49 Cb 0.34 -5.51 -0.16 0.00 0.00 0.00 0.00 35.03 29.69 1k6s n LYS 49 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1k6s s SER 50 N -2.92 2.99 0.25 3.14 1.04 -1.05 -2.18 113.70 114.97 1k6s s SER 50 Ca 0.46 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.51 1k6s s SER 50 Cb -0.22 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 1k6s s SER 50 CO 0.56 0.30 -0.09 0.00 0.98 0.00 0.00 173.24 175.00 1k6s s ALA 52 N -2.22 0.86 -0.01 0.00 0.00 0.28 -0.96 121.76 119.70 1k6s s ALA 52 Ca 0.29 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1k6s s ALA 52 Cb -0.07 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1k6s s ALA 52 CO 0.17 0.12 0.43 -0.08 0.00 0.00 0.00 175.76 176.41 1k6s s THR 53 N -0.91 0.04 -0.01 0.00 -1.32 -0.27 -1.53 115.64 111.63 1k6s s THR 53 Ca -0.02 -0.34 0.19 0.00 -1.21 0.00 0.00 61.69 60.32 1k6s s THR 53 Cb -0.08 -0.78 0.15 0.00 -1.51 0.00 0.00 72.50 70.28 1k6s s THR 53 CO 0.01 -0.18 1.64 -0.55 -2.21 0.00 0.00 174.62 173.32 1k6s h ASN 54 N 3.46 0.00 -2.08 8.08 -1.07 -1.67 0.78 115.58 123.09 1k6s h ASN 54 Ca -0.29 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 55.83 1k6s h ASN 54 Cb 1.17 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 37.10 1k6s h ASN 54 CO 0.40 0.36 -0.57 -0.62 0.07 0.00 0.00 177.43 177.07 1k6s s ASP 55 N -6.35 0.93 0.32 6.14 -1.08 -1.26 -4.22 116.67 111.15 1k6s s ASP 55 Ca 0.02 -0.24 0.01 0.00 -0.52 0.00 0.00 52.55 51.82 1k6s s ASP 55 Cb 0.09 0.77 0.56 0.00 -1.46 0.00 0.00 42.92 42.88 1k6s s ASP 55 CO 0.69 -0.34 1.94 -0.07 0.52 0.00 0.00 175.17 177.91 1k6s h LEU 56 N 8.23 0.86 0.60 -1.34 3.38 -1.95 -1.66 115.31 123.44 1k6s h LEU 56 Ca -0.16 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1k6s h LEU 56 Cb 1.13 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1k6s h LEU 56 CO 0.29 0.57 -0.29 0.00 0.09 0.00 0.00 178.44 179.10 1k6s h ALA 57 N 1.53 -0.81 0.00 1.53 0.00 -2.00 -3.05 119.26 116.46 1k6s h ALA 57 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1k6s h ALA 57 Cb 0.13 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1k6s h ALA 57 CO -0.11 -0.85 -0.16 -0.09 0.00 0.00 0.00 179.25 178.03 1k6s h ARG 58 N -1.01 0.00 -0.28 0.00 2.43 -1.94 -1.77 114.38 111.81 1k6s h ARG 58 Ca -0.08 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1k6s h ARG 58 Cb 0.67 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1k6s h ARG 58 CO 0.14 0.16 0.20 0.00 -1.51 0.00 0.00 179.97 178.95 1k6s h ALA 59 N 1.84 2.09 0.00 2.80 0.00 -1.21 -1.46 119.26 123.33 1k6s h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k6s h ALA 59 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1k6s h ALA 59 CO 0.02 -0.16 -0.83 0.43 0.00 0.00 0.00 179.25 178.71 1k6s n SER 60 N -4.48 0.83 -4.76 0.00 7.64 -0.70 -2.29 113.62 109.87 1k6s n SER 60 Ca 0.03 -0.74 -0.41 0.00 1.01 0.00 0.00 58.87 58.76 1k6s n SER 60 Cb 0.26 0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 1k6s n SER 60 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k6s s LYS 61 N -3.00 4.44 -0.15 1.43 1.02 -0.55 -4.70 119.74 118.22 1k6s s LYS 61 Ca 0.09 2.07 -0.13 0.00 0.02 0.00 0.00 55.97 58.02 1k6s s LYS 61 Cb 0.17 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 1k6s s LYS 61 CO 0.81 -0.11 0.26 -1.21 -0.92 0.00 0.00 175.35 174.19 1k6s s GLU 62 N -1.19 4.14 0.28 1.68 2.02 -1.26 -4.04 118.70 120.33 1k6s s GLU 62 Ca 0.50 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.58 1k6s s GLU 62 Cb -0.37 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.42 1k6s s GLU 62 CO 0.46 0.34 0.03 0.71 0.02 0.00 0.00 175.26 176.81 1k6s s TYR 63 N 0.19 1.78 0.14 1.61 2.02 -0.38 -4.65 117.35 118.06 1k6s s TYR 63 Ca 0.16 -0.93 -0.31 0.00 -0.37 0.00 0.00 57.07 55.61 1k6s s TYR 63 Cb -0.13 -1.09 -0.10 0.00 -0.40 0.00 0.00 41.96 40.24 1k6s s TYR 63 CO 0.04 -0.01 1.68 -0.51 -1.57 0.00 0.00 175.55 175.18 1k6s s LEU 64 N -3.40 4.38 0.55 -1.29 1.43 -1.26 -0.75 118.68 118.33 1k6s s LEU 64 Ca 0.33 2.67 0.34 0.00 -1.03 0.00 0.00 54.13 56.44 1k6s s LEU 64 Cb 0.07 -3.58 1.45 0.00 0.03 0.00 0.00 46.19 44.15 1k6s s LEU 64 CO 0.13 -0.91 2.02 1.55 0.23 0.00 0.00 176.35 179.36 1k6s h PRO 65 N 7.55 0.00 0.00 1.29 0.13 -1.75 -3.47 132.00 135.74 1k6s h PRO 65 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1k6s h PRO 65 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k6s h PRO 65 CO 0.93 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 1k6s n ALA 66 N -2.11 0.00 0.20 -0.56 0.00 -0.76 -1.28 120.51 116.00 1k6s n ALA 66 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1k6s n ALA 66 Cb 0.29 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.04 1k6s n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k6s n SER 67 N -0.29 0.26 0.09 0.00 7.64 -1.26 -1.34 113.62 118.72 1k6s n SER 67 Ca 0.00 0.60 0.10 0.00 1.01 0.00 0.00 58.87 60.58 1k6s n SER 67 Cb 0.00 -0.64 0.43 0.00 -1.01 0.00 0.00 64.21 62.98 1k6s n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1k6s n THR 68 N -1.83 0.92 -1.05 0.44 -2.24 -0.40 -4.47 114.28 105.66 1k6s n THR 68 Ca 0.01 0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.73 1k6s n THR 68 Cb 0.07 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.13 1k6s n THR 68 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1k6s n PHE 69 N -1.99 1.90 0.00 4.78 7.35 -0.45 -4.45 117.46 124.60 1k6s n PHE 69 Ca 0.02 -2.19 0.00 0.00 -0.76 0.00 0.00 57.45 54.53 1k6s n PHE 69 Cb 0.20 -1.89 0.00 0.00 0.35 0.00 0.00 39.48 38.13 1k6s n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1k6s n ILE 71 N 4.75 0.00 -0.06 -2.13 5.41 -1.26 -1.34 119.36 124.73 1k6s n ILE 71 Ca 0.51 0.00 0.01 0.00 1.00 0.00 0.00 62.75 64.27 1k6s n ILE 71 Cb 0.25 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.49 1k6s n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k6s h PRO 72 N 0.00 0.65 -0.67 0.38 0.13 -1.98 -2.27 132.00 128.25 1k6s h PRO 72 Ca 0.00 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1k6s h PRO 72 Cb 0.00 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 30.97 1k6s h PRO 72 CO 0.00 0.54 0.44 -0.97 -0.23 0.00 0.00 178.00 177.78 1k6s h ASN 73 N 0.65 0.76 -0.52 1.44 -0.00 -1.57 0.16 115.58 116.49 1k6s h ASN 73 Ca 0.16 -0.02 -0.04 0.00 -0.00 0.00 0.00 56.30 56.40 1k6s h ASN 73 Cb 0.13 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.24 1k6s h ASN 73 CO -0.02 0.55 0.16 0.00 -0.00 0.00 0.00 177.43 178.12 1k6s h ALA 74 N 1.25 0.68 -0.13 1.57 0.00 -1.68 0.38 119.26 121.33 1k6s h ALA 74 Ca 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k6s h ALA 74 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1k6s h ALA 74 CO -0.06 0.35 0.08 0.82 0.00 0.00 0.00 179.25 180.44 1k6s h ILE 75 N 0.72 1.07 -0.91 0.00 2.04 -0.89 -1.90 117.51 117.64 1k6s h ILE 75 Ca 0.17 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1k6s h ILE 75 Cb 0.28 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1k6s h ILE 75 CO -0.00 0.06 0.58 0.40 0.00 0.00 0.00 178.15 179.19 1k6s h ILE 76 N 0.14 1.24 -0.71 -0.67 2.04 -0.48 -0.88 117.51 118.19 1k6s h ILE 76 Ca 0.05 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1k6s h ILE 76 Cb 0.04 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 1k6s h ILE 76 CO -0.01 0.24 0.36 1.23 0.00 0.00 0.00 178.15 179.97 1k6s h GLY 77 N 1.24 1.08 0.93 5.37 0.00 -0.53 -0.84 103.07 110.33 1k6s h GLY 77 Ca 0.33 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1k6s h GLY 77 CO -0.07 0.50 -0.29 1.41 0.00 0.00 0.00 176.54 178.09 1k6s h LEU 78 N 0.98 0.68 -0.77 3.11 3.38 -1.01 0.14 115.31 121.82 1k6s h LEU 78 Ca 0.25 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1k6s h LEU 78 Cb 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1k6s h LEU 78 CO -0.03 1.03 0.41 -0.08 0.09 0.00 0.00 178.44 179.86 1k6s h GLU 79 N 0.34 1.09 0.00 1.13 4.57 -0.98 -2.33 114.58 118.40 1k6s h GLU 79 Ca 0.03 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1k6s h GLU 79 Cb 0.86 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1k6s h GLU 79 CO 0.07 0.82 -0.08 0.25 -1.18 0.00 0.00 179.01 178.89 1k6s n THR 80 N -4.42 0.00 -0.29 0.32 -2.24 -0.34 -4.91 114.28 102.41 1k6s n THR 80 Ca 0.07 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1k6s n THR 80 Cb 0.10 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1k6s n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k6s n GLY 81 N 1.50 1.06 0.37 3.38 0.00 -0.88 -4.90 105.19 105.72 1k6s n GLY 81 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1k6s n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k6s h VAL 82 N 0.00 1.19 -3.87 1.61 2.07 -1.29 -3.35 116.25 112.60 1k6s h VAL 82 Ca 0.00 -0.42 -0.64 0.00 0.82 0.00 0.00 66.70 66.45 1k6s h VAL 82 Cb 0.00 -0.16 -0.17 0.00 -1.52 0.00 0.00 31.29 29.44 1k6s h VAL 82 CO 0.00 0.23 -0.49 -0.63 0.02 0.00 0.00 177.57 176.69 1k6s s ILE 83 N -6.04 5.30 0.00 4.57 1.01 0.32 -4.98 121.20 121.37 1k6s s ILE 83 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1k6s s ILE 83 Cb 0.19 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1k6s s ILE 83 CO 0.81 0.21 0.72 1.17 0.00 0.00 0.00 174.94 177.85 1k6s n LYS 84 N 5.09 0.00 -1.98 2.79 3.00 -1.26 -4.39 118.16 121.41 1k6s n LYS 84 Ca -0.13 0.47 -0.03 0.00 -0.00 0.00 0.00 58.31 58.62 1k6s n LYS 84 Cb 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.33 1k6s n LYS 84 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1k6s n ASN 85 N -1.52 -0.59 0.28 3.14 0.23 -1.26 -4.99 115.26 110.55 1k6s n ASN 85 Ca 0.00 -1.50 0.12 0.00 -0.53 0.00 0.00 54.58 52.67 1k6s n ASN 85 Cb 0.00 1.01 0.79 0.00 -2.08 0.00 0.00 39.78 39.50 1k6s n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k6s h GLU 86 N 0.00 0.00 -0.01 -3.83 4.11 -1.98 -2.12 114.58 110.75 1k6s h GLU 86 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1k6s h GLU 86 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1k6s h GLU 86 CO 0.12 0.02 -0.02 0.72 0.07 0.00 0.00 179.01 179.92 1k6s n HIS 87 N -4.08 0.00 -1.82 2.06 8.25 -1.26 -4.46 115.22 113.90 1k6s n HIS 87 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1k6s n HIS 87 Cb 0.11 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1k6s n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k6s s GLN 88 N -2.05 4.15 -0.24 -0.41 0.74 -0.80 -4.97 119.66 116.07 1k6s s GLN 88 Ca 0.38 2.53 -0.06 0.00 0.05 0.00 0.00 55.36 58.25 1k6s s GLN 88 Cb 0.21 -3.03 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 1k6s s GLN 88 CO 0.36 -0.57 0.03 0.08 -0.55 0.00 0.00 175.29 174.64 1k6s s VAL 89 N -0.22 4.00 -0.69 1.34 1.01 -1.26 -3.88 120.40 120.70 1k6s s VAL 89 Ca 0.61 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1k6s s VAL 89 Cb -0.47 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1k6s s VAL 89 CO 0.50 0.36 1.11 -0.36 0.00 0.00 0.00 175.10 176.71 1k6s s PHE 90 N 1.57 2.50 0.33 5.22 0.08 0.38 -4.88 117.98 123.17 1k6s s PHE 90 Ca 0.06 -0.28 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 1k6s s PHE 90 Cb -0.15 -4.44 -0.10 0.00 -0.57 0.00 0.00 43.02 37.77 1k6s s PHE 90 CO 0.01 -1.83 1.22 0.15 -0.10 0.00 0.00 175.22 174.68 1k6s s LYS 91 N 4.82 4.40 -0.02 0.44 -0.14 -1.26 -0.88 119.74 127.10 1k6s s LYS 91 Ca 0.29 2.04 -0.26 0.00 -1.36 0.00 0.00 55.97 56.67 1k6s s LYS 91 Cb -0.13 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 1k6s s LYS 91 CO 0.13 -0.09 0.81 -0.46 -0.76 0.00 0.00 175.35 174.98 1k6s s TRP 92 N -1.19 3.64 -1.08 3.18 -0.00 -1.26 -4.94 118.94 117.29 1k6s s TRP 92 Ca 0.49 1.45 0.25 0.00 -0.00 0.00 0.00 56.10 58.29 1k6s s TRP 92 Cb -0.36 -2.92 1.11 0.00 -0.00 0.00 0.00 33.47 31.30 1k6s s TRP 92 CO 0.47 0.09 1.81 -0.40 -0.00 0.00 0.00 176.95 178.93 1k6s n ASP 93 N 3.62 0.00 0.00 5.86 3.85 -1.26 -4.91 116.55 123.71 1k6s n ASP 93 Ca 0.01 0.39 0.00 0.00 -0.71 0.00 0.00 54.79 54.48 1k6s n ASP 93 Cb 0.51 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 1k6s n ASP 93 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1k6s n GLY 94 N 1.05 3.02 3.68 6.12 0.00 -1.26 -5.03 105.19 112.77 1k6s n GLY 94 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1k6s n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6s s LYS 95 N -0.16 4.18 0.45 1.61 3.01 -1.26 -4.91 119.74 122.66 1k6s s LYS 95 Ca 0.00 2.36 -0.20 0.00 -1.01 0.00 0.00 55.97 57.12 1k6s s LYS 95 Cb 0.00 -3.73 -0.15 0.00 -1.01 0.00 0.00 37.83 32.94 1k6s s LYS 95 CO 0.00 -0.79 0.05 -2.30 0.51 0.00 0.00 175.35 172.82 1k6s n PRO 96 N 6.10 0.06 -4.31 -1.68 -0.02 -1.26 -5.01 135.00 128.87 1k6s n PRO 96 Ca 0.17 0.02 -0.17 0.00 -2.02 0.00 0.00 63.50 61.50 1k6s n PRO 96 Cb 0.41 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.72 1k6s n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k6s s ARG 97 N -1.09 1.22 0.53 -0.52 0.52 -1.26 -5.03 118.95 113.32 1k6s s ARG 97 Ca 0.59 -1.54 0.36 0.00 -0.52 0.00 0.00 55.73 54.61 1k6s s ARG 97 Cb -0.57 -0.89 1.52 0.00 0.52 0.00 0.00 34.95 35.53 1k6s s ARG 97 CO 0.63 0.12 1.80 0.00 0.02 0.00 0.00 175.30 177.87 1k6s h ALA 98 N 2.64 3.07 -3.76 2.13 0.00 -2.00 -3.39 119.26 117.95 1k6s h ALA 98 Ca -0.37 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.13 1k6s h ALA 98 Cb 1.21 0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.78 1k6s h ALA 98 CO 0.63 -1.42 -0.77 -1.64 0.00 0.00 0.00 179.25 176.06 1k6s s MET 99 N -4.99 0.63 0.62 0.00 -1.94 -1.26 -5.01 119.30 107.36 1k6s s MET 99 Ca -0.05 -0.18 0.41 0.00 -1.71 0.00 0.00 55.69 54.16 1k6s s MET 99 Cb 0.23 -0.63 2.14 0.00 2.01 0.00 0.00 34.83 38.59 1k6s s MET 99 CO 0.81 0.05 2.26 1.57 -0.01 0.00 0.00 175.02 179.70 1k6s h LYS 100 N 6.46 0.00 0.00 2.03 -0.00 -1.98 -1.06 116.57 122.02 1k6s h LYS 100 Ca -0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.28 1k6s h LYS 100 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 1k6s h LYS 100 CO 0.49 0.00 -0.18 1.96 -0.00 0.00 0.00 179.45 181.72 1k6s h GLN 101 N 0.00 0.00 -0.00 0.07 7.50 -1.95 -2.78 115.11 117.95 1k6s h GLN 101 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1k6s h GLN 101 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 1k6s h GLN 101 CO 0.00 0.18 -0.40 0.91 -1.50 0.00 0.00 178.83 178.01 1k6s n TRP 102 N -3.41 0.00 -2.44 2.96 8.01 -0.40 -4.62 117.44 117.53 1k6s n TRP 102 Ca -0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 1k6s n TRP 102 Cb 0.37 -0.17 0.00 0.00 -2.01 0.00 0.00 31.31 29.50 1k6s n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k6s n GLU 103 N -1.06 3.32 -3.63 -0.99 1.02 -1.05 -4.84 120.64 113.42 1k6s n GLU 103 Ca 0.09 -3.40 0.00 0.00 -0.02 0.00 0.00 57.16 53.83 1k6s n GLU 103 Cb 0.34 -3.14 -0.01 0.00 -0.02 0.00 0.00 31.44 28.62 1k6s n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k6s s ARG 104 N 1.99 0.48 0.24 3.49 1.70 -1.26 -5.07 118.95 120.51 1k6s s ARG 104 Ca 0.45 -0.26 -0.30 0.00 -0.47 0.00 0.00 55.73 55.15 1k6s s ARG 104 Cb 0.06 0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 1k6s s ARG 104 CO -0.00 -0.22 1.02 -0.51 -1.08 0.00 0.00 175.30 174.51 1k6s s ASP 105 N -2.91 7.46 0.06 -2.89 1.01 -1.26 -4.03 116.67 114.11 1k6s s ASP 105 Ca 0.13 2.07 0.04 0.00 0.71 0.00 0.00 52.55 55.50 1k6s s ASP 105 Cb 0.04 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1k6s s ASP 105 CO -0.03 -0.01 -0.12 -0.76 0.21 0.00 0.00 175.17 174.46 1k6s s LEU 106 N -1.09 2.27 0.56 1.23 1.43 -0.06 -4.95 118.68 118.07 1k6s s LEU 106 Ca 0.44 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1k6s s LEU 106 Cb -0.28 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 45.59 1k6s s LEU 106 CO 0.35 -0.12 0.78 0.42 0.23 0.00 0.00 176.35 178.01 1k6s s THR 107 N -1.33 2.61 0.14 5.49 -4.23 -1.26 0.14 115.64 117.20 1k6s s THR 107 Ca -0.04 -0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 59.53 1k6s s THR 107 Cb -0.10 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1k6s s THR 107 CO 0.02 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.01 1k6s h LEU 108 N 0.08 -0.45 -0.39 4.79 5.85 -1.78 0.12 115.31 123.53 1k6s h LEU 108 Ca -0.40 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1k6s h LEU 108 Cb 1.29 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 1k6s h LEU 108 CO 0.49 -0.18 0.19 -0.09 -0.34 0.00 0.00 178.44 178.51 1k6s h ARG 109 N -0.14 0.38 -0.44 1.25 2.43 -1.89 -1.56 114.38 114.41 1k6s h ARG 109 Ca 0.12 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1k6s h ARG 109 Cb 0.31 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1k6s h ARG 109 CO -0.28 0.25 0.14 0.78 -1.51 0.00 0.00 179.97 179.35 1k6s h GLY 110 N 0.39 0.57 1.54 2.80 0.00 -1.69 0.71 103.07 107.39 1k6s h GLY 110 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1k6s h GLY 110 CO -0.11 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.47 1k6s h ALA 111 N 1.30 1.37 -0.00 3.60 0.00 -0.36 -1.81 119.26 123.36 1k6s h ALA 111 Ca 0.21 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1k6s h ALA 111 Cb 0.22 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1k6s h ALA 111 CO -0.23 0.44 -0.69 0.82 0.00 0.00 0.00 179.25 179.59 1k6s h ILE 112 N 0.55 1.39 -0.72 0.00 2.04 -0.82 0.51 117.51 120.47 1k6s h ILE 112 Ca 0.12 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.86 1k6s h ILE 112 Cb 0.30 2.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1k6s h ILE 112 CO 0.01 0.62 0.40 1.56 0.00 0.00 0.00 178.15 180.74 1k6s h GLN 113 N 0.01 1.00 -0.12 2.37 1.08 -0.69 -2.43 115.11 116.34 1k6s h GLN 113 Ca -0.09 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1k6s h GLN 113 Cb 1.39 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1k6s h GLN 113 CO 0.14 0.74 0.00 1.33 -0.95 0.00 0.00 178.83 180.08 1k6s n VAL 114 N -4.49 0.13 -3.60 -0.54 0.24 -0.69 -4.96 118.33 104.42 1k6s n VAL 114 Ca 0.06 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.34 61.75 1k6s n VAL 114 Cb 0.08 0.63 0.04 0.00 -1.47 0.00 0.00 33.84 33.12 1k6s n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1k6s n SER 115 N 0.52 -4.20 -4.57 -1.34 7.64 -0.79 -4.84 113.62 106.05 1k6s n SER 115 Ca 0.17 -0.89 -0.36 0.00 1.01 0.00 0.00 58.87 58.80 1k6s n SER 115 Cb 0.40 -3.98 -0.03 0.00 -1.01 0.00 0.00 64.21 59.59 1k6s n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k6s s ALA 116 N -3.53 2.54 0.17 -0.43 0.00 0.10 -4.86 121.76 115.76 1k6s s ALA 116 Ca 0.31 -2.37 -0.27 0.00 0.00 0.00 0.00 51.96 49.64 1k6s s ALA 116 Cb -0.09 -4.62 0.01 0.00 0.00 0.00 0.00 23.12 18.43 1k6s s ALA 116 CO 0.82 -4.11 1.56 0.28 0.00 0.00 0.00 175.76 174.31 1k6s h VAL 117 N 6.25 0.04 -0.85 0.00 2.07 -1.88 -1.57 116.25 120.31 1k6s h VAL 117 Ca 0.28 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.01 1k6s h VAL 117 Cb 0.94 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1k6s h VAL 117 CO 1.35 0.00 0.28 1.55 0.02 0.00 0.00 177.57 180.77 1k6s h PRO 118 N -0.18 0.29 -0.65 1.57 0.13 -1.99 0.78 132.00 131.95 1k6s h PRO 118 Ca 0.18 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.37 1k6s h PRO 118 Cb 0.54 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.54 1k6s h PRO 118 CO -0.77 0.19 0.33 0.28 -0.23 0.00 0.00 178.00 177.80 1k6s h VAL 119 N 0.30 0.89 0.00 1.56 2.07 -1.70 -1.56 116.25 117.81 1k6s h VAL 119 Ca 0.52 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1k6s h VAL 119 Cb 0.98 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1k6s h VAL 119 CO -0.57 0.11 -0.05 -0.26 0.02 0.00 0.00 177.57 176.82 1k6s h PHE 120 N 0.59 0.00 -0.17 1.57 0.04 -0.82 -2.77 116.94 115.39 1k6s h PHE 120 Ca 0.31 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.87 1k6s h PHE 120 Cb 0.27 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.43 1k6s h PHE 120 CO -0.11 0.00 -0.74 1.96 -0.60 0.00 0.00 178.31 178.83 1k6s h GLN 121 N 0.00 0.77 -0.29 1.51 4.20 -0.32 -0.36 115.11 120.62 1k6s h GLN 121 Ca 0.00 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1k6s h GLN 121 Cb 0.98 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1k6s h GLN 121 CO 0.00 1.21 0.19 0.37 -0.67 0.00 0.00 178.83 179.93 1k6s h GLN 122 N 0.54 0.39 -0.05 1.46 5.75 -1.28 -0.41 115.11 121.52 1k6s h GLN 122 Ca -0.04 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1k6s h GLN 122 Cb 1.36 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1k6s h GLN 122 CO 0.15 0.28 -0.01 0.82 -2.65 0.00 0.00 178.83 177.42 1k6s h ILE 123 N 0.39 0.95 -0.72 2.39 2.04 -1.36 -1.71 117.51 119.48 1k6s h ILE 123 Ca 0.11 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1k6s h ILE 123 Cb -0.02 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1k6s h ILE 123 CO -0.02 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.50 1k6s h ALA 124 N 1.05 1.00 -0.53 1.87 0.00 -0.75 -0.09 119.26 121.81 1k6s h ALA 124 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k6s h ALA 124 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1k6s h ALA 124 CO -0.05 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.48 1k6s h ARG 125 N 0.64 0.73 -0.41 0.00 3.08 -0.66 -1.21 114.38 116.56 1k6s h ARG 125 Ca 0.35 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 1k6s h ARG 125 Cb 0.35 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1k6s h ARG 125 CO -0.25 0.56 -0.15 0.93 -1.07 0.00 0.00 179.97 179.99 1k6s h GLU 126 N 0.70 0.75 0.18 0.04 5.08 -0.58 -3.10 114.58 117.65 1k6s h GLU 126 Ca 0.19 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1k6s h GLU 126 Cb 0.04 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1k6s h GLU 126 CO -0.03 0.86 -0.08 0.28 -1.00 0.00 0.00 179.01 179.03 1k6s h VAL 127 N 0.67 0.88 0.00 3.13 2.07 -0.68 -3.50 116.25 118.83 1k6s h VAL 127 Ca 0.11 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1k6s h VAL 127 Cb 0.63 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1k6s h VAL 127 CO 0.04 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1k6s n GLY 128 N -0.88 0.80 0.12 2.17 0.00 -0.49 -4.47 105.19 102.45 1k6s n GLY 128 Ca -0.09 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1k6s n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k6s h GLU 129 N 0.00 -0.13 -0.09 1.61 4.81 -1.89 -1.07 114.58 117.82 1k6s h GLU 129 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1k6s h GLU 129 Cb 0.00 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1k6s h GLU 129 CO 0.00 -0.09 -0.16 0.28 -0.73 0.00 0.00 179.01 178.31 1k6s h VAL 130 N -0.14 0.59 -0.26 0.32 2.07 -1.99 0.12 116.25 116.96 1k6s h VAL 130 Ca 0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1k6s h VAL 130 Cb 0.17 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1k6s h VAL 130 CO -0.08 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 177.34 1k6s h ARG 131 N -0.22 0.59 -0.53 1.57 3.08 -1.77 -1.64 114.38 115.46 1k6s h ARG 131 Ca 0.08 -0.29 0.07 0.00 0.07 0.00 0.00 59.98 59.91 1k6s h ARG 131 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1k6s h ARG 131 CO -0.22 0.88 0.21 1.98 -1.07 0.00 0.00 179.97 181.75 1k6s h MET 132 N 0.31 0.40 -0.64 0.04 4.05 -1.03 -0.02 114.93 118.03 1k6s h MET 132 Ca 0.05 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1k6s h MET 132 Cb 0.75 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.43 1k6s h MET 132 CO 0.05 0.26 0.25 0.37 0.23 0.00 0.00 176.91 178.07 1k6s h GLN 133 N 0.41 0.94 0.04 0.39 5.75 -0.70 -2.02 115.11 119.92 1k6s h GLN 133 Ca 0.26 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1k6s h GLN 133 Cb 0.26 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1k6s h GLN 133 CO -0.24 0.77 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.47 1k6s h LYS 134 N 0.92 -0.06 -0.68 1.69 3.64 -0.06 -2.45 116.57 119.57 1k6s h LYS 134 Ca 0.22 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1k6s h LYS 134 Cb 0.19 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1k6s h LYS 134 CO -0.02 0.08 0.12 1.88 -2.27 0.00 0.00 179.45 179.24 1k6s h TYR 135 N -0.18 1.18 0.00 1.91 0.05 -0.98 -0.72 116.97 118.23 1k6s h TYR 135 Ca -0.01 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 1k6s h TYR 135 Cb 0.16 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 1k6s h TYR 135 CO -0.04 0.98 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.88 1k6s h LEU 136 N 1.03 0.00 0.02 3.88 3.38 -1.35 0.55 115.31 122.82 1k6s h LEU 136 Ca 0.21 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1k6s h LEU 136 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1k6s h LEU 136 CO 0.01 0.10 -0.48 0.50 0.09 0.00 0.00 178.44 178.66 1k6s h LYS 137 N 0.00 0.29 -0.80 1.13 3.64 -0.88 -0.47 116.57 119.48 1k6s h LYS 137 Ca -0.00 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1k6s h LYS 137 Cb 0.35 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1k6s h LYS 137 CO 0.01 1.06 0.38 0.87 -2.27 0.00 0.00 179.45 179.50 1k6s h LYS 138 N -0.34 1.15 0.00 1.90 1.79 -0.23 -2.07 116.57 118.78 1k6s h LYS 138 Ca -0.07 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1k6s h LYS 138 Cb 1.24 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1k6s h LYS 138 CO 0.09 0.90 0.00 1.19 -1.08 0.00 0.00 179.45 180.55 1k6s n PHE 139 N -4.35 0.60 -3.72 -1.35 3.72 0.18 -4.77 117.46 107.77 1k6s n PHE 139 Ca 0.07 0.19 -0.24 0.00 -0.05 0.00 0.00 57.45 57.42 1k6s n PHE 139 Cb 0.14 -0.80 0.04 0.00 -0.94 0.00 0.00 39.48 37.92 1k6s n PHE 139 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1k6s n SER 140 N -2.00 -2.84 -4.54 4.37 2.88 -0.33 -4.88 113.62 106.28 1k6s n SER 140 Ca 0.05 -0.76 -0.42 0.00 -1.33 0.00 0.00 58.87 56.41 1k6s n SER 140 Cb 0.35 -4.23 -0.03 0.00 -0.75 0.00 0.00 64.21 59.55 1k6s n SER 140 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1k6s s TYR 141 N -3.49 2.59 0.00 0.66 5.04 -0.38 -4.95 117.35 116.82 1k6s s TYR 141 Ca 0.25 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 1k6s s TYR 141 Cb -0.12 -4.38 0.00 0.00 0.35 0.00 0.00 41.96 37.81 1k6s s TYR 141 CO 0.80 -1.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.77 1k6s n GLY 142 N 5.20 2.11 0.00 8.97 0.00 -1.26 -1.77 105.19 118.44 1k6s n GLY 142 Ca 0.03 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1k6s n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k6s n ASN 143 N -0.60 0.00 -1.00 1.61 0.23 0.53 -4.89 115.26 111.13 1k6s n ASN 143 Ca 0.00 0.17 -0.13 0.00 -0.53 0.00 0.00 54.58 54.09 1k6s n ASN 143 Cb 0.00 -0.38 -0.06 0.00 -2.08 0.00 0.00 39.78 37.27 1k6s n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k6s n GLN 144 N -1.38 -1.39 -3.19 -3.83 6.02 -0.73 -4.96 117.38 107.93 1k6s n GLN 144 Ca 0.09 0.94 -0.42 0.00 -0.01 0.00 0.00 57.00 57.60 1k6s n GLN 144 Cb 0.23 -5.21 -0.07 0.00 1.02 0.00 0.00 30.24 26.21 1k6s n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k6s s ASN 145 N -2.58 6.34 -0.16 1.08 3.84 -1.26 -4.93 114.94 117.27 1k6s s ASN 145 Ca 0.00 -0.07 0.16 0.00 0.21 0.00 0.00 52.86 53.15 1k6s s ASN 145 Cb 0.00 -2.29 0.52 0.00 -0.55 0.00 0.00 41.25 38.93 1k6s s ASN 145 CO 0.00 -0.57 1.42 2.30 -2.79 0.00 0.00 177.10 177.46 1k6s n ILE 146 N 5.54 2.14 -2.06 -5.21 -5.35 -1.26 -2.18 119.36 110.99 1k6s n ILE 146 Ca -0.03 -1.74 -0.33 0.00 -0.27 0.00 0.00 62.75 60.37 1k6s n ILE 146 Cb 0.49 -0.16 0.01 0.00 -1.74 0.00 0.00 39.64 38.24 1k6s n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k6s s SER 147 N -1.76 5.64 0.00 7.28 1.04 -1.26 -4.35 113.70 120.29 1k6s s SER 147 Ca 0.40 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1k6s s SER 147 Cb 0.32 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1k6s s SER 147 CO 0.10 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1k6s n GLY 148 N -0.57 1.54 0.00 7.32 0.00 -1.26 -2.92 105.19 109.30 1k6s n GLY 148 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1k6s n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6s n GLY 149 N -0.92 1.09 0.35 -0.02 0.00 -1.26 -4.23 105.19 100.20 1k6s n GLY 149 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.13 1k6s n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k6s h ILE 150 N 0.00 0.04 -0.36 -0.61 6.09 -1.94 0.79 117.51 121.52 1k6s h ILE 150 Ca 0.00 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.43 1k6s h ILE 150 Cb 0.00 0.53 -0.03 0.00 0.47 0.00 0.00 36.82 37.79 1k6s h ILE 150 CO 0.00 0.00 0.03 -0.90 -3.07 0.00 0.00 178.15 174.21 1k6s n ASP 151 N -2.92 3.94 -0.06 2.19 5.75 -1.26 -4.58 116.55 119.61 1k6s n ASP 151 Ca -0.00 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 1k6s n ASP 151 Cb 0.54 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1k6s n ASP 151 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1k6s n LYS 152 N -0.48 0.00 0.27 0.11 2.85 0.15 -4.84 118.16 116.22 1k6s n LYS 152 Ca 0.26 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.65 1k6s n LYS 152 Cb 1.00 0.00 0.76 0.00 -0.65 0.00 0.00 35.03 36.14 1k6s n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k6s h PHE 153 N 0.00 0.00 0.00 5.58 -5.15 -1.39 0.11 116.94 116.09 1k6s h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1k6s h PHE 153 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.92 1k6s h PHE 153 CO -0.03 0.10 -0.91 -2.67 -2.00 0.00 0.00 178.31 172.79 1k6s n TRP 154 N -3.70 0.19 -0.09 6.09 2.14 -1.26 -1.81 117.44 119.00 1k6s n TRP 154 Ca -0.02 0.05 -0.21 0.00 2.07 0.00 0.00 57.50 59.39 1k6s n TRP 154 Cb 0.21 -0.35 -0.12 0.00 -0.81 0.00 0.00 31.31 30.23 1k6s n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k6s n LEU 155 N -1.82 2.58 0.00 5.67 4.77 -0.79 -1.83 117.00 125.58 1k6s n LEU 155 Ca 0.03 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1k6s n LEU 155 Cb 0.40 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1k6s n LEU 155 CO 0.39 0.78 0.12 -1.84 -1.33 0.00 0.00 177.39 175.51 1k6s n GLU 156 N -3.62 0.00 0.00 3.23 0.28 0.28 -4.91 120.64 115.90 1k6s n GLU 156 Ca -0.42 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.35 1k6s n GLU 156 Cb 0.96 -0.41 0.00 0.00 1.43 0.00 0.00 31.44 33.41 1k6s n GLU 156 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k6s n GLY 157 N 0.00 0.44 0.73 -1.84 0.00 -0.63 -4.95 105.19 98.95 1k6s n GLY 157 Ca 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 46.02 44.67 1k6s n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k6s n GLN 158 N 0.00 1.66 -2.00 1.61 1.13 -1.15 -4.91 117.38 113.72 1k6s n GLN 158 Ca 0.00 -1.56 -0.42 0.00 -1.94 0.00 0.00 57.00 53.08 1k6s n GLN 158 Cb 0.00 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 1k6s n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k6s s LEU 159 N -1.67 4.38 0.02 1.08 2.96 -0.93 -4.76 118.68 119.76 1k6s s LEU 159 Ca 0.22 2.59 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 1k6s s LEU 159 Cb 0.16 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 1k6s s LEU 159 CO 0.27 -0.75 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.38 1k6s s ARG 160 N 0.57 0.30 -0.08 1.98 1.81 -1.26 -4.14 118.95 118.13 1k6s s ARG 160 Ca 0.65 -0.44 -0.17 0.00 -1.72 0.00 0.00 55.73 54.04 1k6s s ARG 160 Cb -0.42 -0.08 0.04 0.00 -0.45 0.00 0.00 34.95 34.04 1k6s s ARG 160 CO 0.35 0.01 0.42 -1.50 -0.68 0.00 0.00 175.30 173.90 1k6s s ILE 161 N -0.92 0.02 0.58 1.52 2.07 0.07 -0.35 121.20 124.19 1k6s s ILE 161 Ca -0.08 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 1k6s s ILE 161 Cb -0.07 -0.67 0.05 0.00 0.13 0.00 0.00 42.46 41.90 1k6s s ILE 161 CO -0.00 -0.11 0.81 -0.94 -1.91 0.00 0.00 174.94 172.79 1k6s s SER 162 N -0.65 5.09 0.20 4.50 1.04 -1.26 -1.25 113.70 121.37 1k6s s SER 162 Ca -0.07 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.17 1k6s s SER 162 Cb -0.04 -0.65 0.12 0.00 0.10 0.00 0.00 66.02 65.55 1k6s s SER 162 CO 0.04 -1.28 1.62 0.00 0.98 0.00 0.00 173.24 174.59 1k6s h ALA 163 N -0.03 0.83 -0.37 5.32 0.00 -1.66 -1.75 119.26 121.60 1k6s h ALA 163 Ca -0.40 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 1k6s h ALA 163 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1k6s h ALA 163 CO 0.49 0.65 0.02 0.28 0.00 0.00 0.00 179.25 180.69 1k6s h VAL 164 N 0.79 1.25 -0.64 0.00 2.07 -1.83 -2.53 116.25 115.37 1k6s h VAL 164 Ca 0.12 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1k6s h VAL 164 Cb 0.70 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1k6s h VAL 164 CO 0.05 0.31 0.30 -1.13 0.02 0.00 0.00 177.57 177.13 1k6s h ASN 165 N 0.46 0.81 -0.31 0.57 -0.00 -1.81 -2.20 115.58 113.11 1k6s h ASN 165 Ca 0.11 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1k6s h ASN 165 Cb 0.42 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 38.52 1k6s h ASN 165 CO 0.01 0.69 0.19 1.56 -0.00 0.00 0.00 177.43 179.89 1k6s h GLN 166 N 0.90 0.42 0.00 6.67 1.08 -1.05 -0.71 115.11 122.41 1k6s h GLN 166 Ca 0.22 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.31 1k6s h GLN 166 Cb 0.10 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1k6s h GLN 166 CO -0.03 0.31 -0.39 -0.39 -0.95 0.00 0.00 178.83 177.39 1k6s h VAL 167 N 0.41 1.23 -0.32 -0.54 -1.51 -1.12 0.80 116.25 115.19 1k6s h VAL 167 Ca 0.11 -1.35 -0.14 0.00 -1.23 0.00 0.00 66.70 64.09 1k6s h VAL 167 Cb -0.00 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1k6s h VAL 167 CO -0.02 0.38 -0.34 -0.33 -1.23 0.00 0.00 177.57 176.03 1k6s h GLU 168 N 0.00 0.80 -0.23 5.19 5.08 -1.03 -1.25 114.58 123.14 1k6s h GLU 168 Ca -0.00 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1k6s h GLU 168 Cb 0.71 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1k6s h GLU 168 CO 0.05 1.06 0.09 0.35 -1.00 0.00 0.00 179.01 179.56 1k6s h PHE 169 N 0.57 0.35 -0.28 4.33 3.57 -0.69 -2.20 116.94 122.60 1k6s h PHE 169 Ca 0.05 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1k6s h PHE 169 Cb 0.92 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1k6s h PHE 169 CO 0.07 0.39 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.40 1k6s h LEU 170 N 0.22 0.42 -0.42 0.59 3.38 -0.79 -1.58 115.31 117.12 1k6s h LEU 170 Ca 0.08 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1k6s h LEU 170 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1k6s h LEU 170 CO -0.01 0.53 -0.09 -0.08 0.09 0.00 0.00 178.44 178.88 1k6s h GLU 171 N 0.42 0.80 -0.74 1.13 4.81 -1.04 0.36 114.58 120.32 1k6s h GLU 171 Ca 0.09 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1k6s h GLU 171 Cb 0.37 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1k6s h GLU 171 CO 0.02 0.92 0.48 0.77 -0.73 0.00 0.00 179.01 180.47 1k6s h SER 172 N 0.62 0.86 -0.25 1.04 0.02 -0.99 0.01 113.55 114.86 1k6s h SER 172 Ca 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1k6s h SER 172 Cb 0.62 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1k6s h SER 172 CO 0.04 0.64 0.12 0.25 -1.14 0.00 0.00 176.83 176.74 1k6s h LEU 173 N 1.01 0.32 -0.44 5.07 5.85 -0.98 0.32 115.31 126.47 1k6s h LEU 173 Ca 0.27 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1k6s h LEU 173 Cb -0.10 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1k6s h LEU 173 CO -0.06 0.35 0.14 0.22 -0.34 0.00 0.00 178.44 178.75 1k6s h TYR 174 N 0.28 0.24 -0.02 1.25 3.20 -0.44 -0.98 116.97 120.49 1k6s h TYR 174 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1k6s h TYR 174 Cb 0.11 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1k6s h TYR 174 CO -0.02 0.07 0.00 1.28 -1.64 0.00 0.00 178.16 177.85 1k6s n LEU 175 N -5.04 0.15 -2.40 2.82 4.77 -0.05 -4.87 117.00 112.39 1k6s n LEU 175 Ca 0.04 -0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 1k6s n LEU 175 Cb 0.18 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1k6s n LEU 175 CO 0.25 0.04 -0.21 0.59 -1.33 0.00 0.00 177.39 176.72 1k6s n ASN 176 N -0.54 -4.89 -0.80 -1.43 3.02 -0.37 -4.87 115.26 105.38 1k6s n ASN 176 Ca 0.07 0.10 0.11 0.00 -0.03 0.00 0.00 54.58 54.83 1k6s n ASN 176 Cb 0.05 -4.12 0.30 0.00 -0.61 0.00 0.00 39.78 35.41 1k6s n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k6s n LYS 177 N -2.89 2.06 -2.33 3.52 5.02 0.10 -4.85 118.16 118.80 1k6s n LYS 177 Ca -0.20 -1.59 -0.33 0.00 -2.02 0.00 0.00 58.31 54.17 1k6s n LYS 177 Cb 0.65 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 34.19 1k6s n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k6s s LEU 178 N -1.61 3.66 -0.61 -0.35 1.43 -1.24 -4.89 118.68 115.08 1k6s s LEU 178 Ca 0.34 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 1k6s s LEU 178 Cb 0.20 -4.54 -0.19 0.00 0.03 0.00 0.00 46.19 41.69 1k6s s LEU 178 CO 0.29 -0.86 1.85 -0.24 0.23 0.00 0.00 176.35 177.62 1k6s n SER 179 N -1.52 2.29 -3.79 2.29 2.88 -1.26 -4.72 113.62 109.80 1k6s n SER 179 Ca 0.08 -2.61 -0.09 0.00 -1.33 0.00 0.00 58.87 54.93 1k6s n SER 179 Cb 0.53 -0.97 -0.03 0.00 -0.75 0.00 0.00 64.21 62.99 1k6s n SER 179 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k6s s ALA 180 N 5.31 -1.09 0.55 -1.46 0.00 -1.26 -5.03 121.76 118.77 1k6s s ALA 180 Ca 0.57 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 1k6s s ALA 180 Cb 0.14 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 24.09 1k6s s ALA 180 CO 0.15 -0.93 1.15 -1.54 0.00 0.00 0.00 175.76 174.60 1k6s s SER 181 N -2.90 5.66 0.29 0.00 1.04 -1.26 -4.90 113.70 111.62 1k6s s SER 181 Ca 0.11 2.23 -0.02 0.00 0.48 0.00 0.00 55.95 58.75 1k6s s SER 181 Cb -0.04 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 63.92 1k6s s SER 181 CO 0.02 -1.26 1.90 0.50 0.98 0.00 0.00 173.24 175.38 1k6s h LYS 182 N 1.22 0.98 -0.22 4.02 3.64 -1.93 -2.10 116.57 122.17 1k6s h LYS 182 Ca -0.50 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 58.80 1k6s h LYS 182 Cb 1.27 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1k6s h LYS 182 CO 0.57 0.74 -0.01 1.49 -2.27 0.00 0.00 179.45 179.97 1k6s h GLU 183 N 0.98 0.06 -0.34 1.90 4.81 -1.99 0.17 114.58 120.17 1k6s h GLU 183 Ca 0.24 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1k6s h GLU 183 Cb 0.07 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1k6s h GLU 183 CO -0.04 0.04 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.25 1k6s h ASN 184 N 0.06 0.57 -0.38 1.04 2.35 -1.83 0.17 115.58 117.56 1k6s h ASN 184 Ca 0.11 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.54 1k6s h ASN 184 Cb 0.14 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1k6s h ASN 184 CO -0.19 0.72 -0.40 1.56 -1.65 0.00 0.00 177.43 177.48 1k6s h GLN 185 N 0.54 0.93 -0.70 0.81 4.20 -0.91 -2.40 115.11 117.59 1k6s h GLN 185 Ca 0.10 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1k6s h GLN 185 Cb 0.53 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1k6s h GLN 185 CO 0.03 1.16 0.40 -0.07 -0.67 0.00 0.00 178.83 179.68 1k6s h LEU 186 N 0.75 0.85 -0.05 1.46 3.38 -0.27 0.38 115.31 121.82 1k6s h LEU 186 Ca 0.06 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1k6s h LEU 186 Cb 1.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1k6s h LEU 186 CO 0.10 0.68 -0.07 0.40 0.09 0.00 0.00 178.44 179.64 1k6s h ILE 187 N 0.95 0.81 -0.18 1.22 2.04 -0.82 -2.20 117.51 119.33 1k6s h ILE 187 Ca 0.25 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.05 1k6s h ILE 187 Cb 0.00 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1k6s h ILE 187 CO -0.04 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.53 1k6s h VAL 188 N -0.10 1.20 -0.53 1.67 2.07 -1.16 -2.62 116.25 116.78 1k6s h VAL 188 Ca 0.04 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1k6s h VAL 188 Cb 0.16 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1k6s h VAL 188 CO -0.11 0.29 0.13 0.11 0.02 0.00 0.00 177.57 178.01 1k6s h LYS 189 N 0.28 0.86 -0.05 1.57 1.57 -0.37 -2.45 116.57 117.98 1k6s h LYS 189 Ca 0.05 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1k6s h LYS 189 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1k6s h LYS 189 CO 0.03 0.81 -0.49 1.49 -0.57 0.00 0.00 179.45 180.72 1k6s h GLU 190 N 0.75 0.13 0.00 3.15 4.81 -1.23 -2.42 114.58 119.76 1k6s h GLU 190 Ca 0.17 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1k6s h GLU 190 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1k6s h GLU 190 CO 0.00 0.59 -0.11 0.00 -0.73 0.00 0.00 179.01 178.76 1k6s h ALA 191 N 1.40 1.59 -0.00 2.92 0.00 -1.12 -2.32 119.26 121.73 1k6s h ALA 191 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k6s h ALA 191 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1k6s h ALA 191 CO 0.07 0.13 -0.16 1.28 0.00 0.00 0.00 179.25 180.57 1k6s n LEU 192 N -4.07 0.56 -4.69 0.00 4.77 -0.92 -4.79 117.00 107.86 1k6s n LEU 192 Ca -0.02 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1k6s n LEU 192 Cb 0.19 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1k6s n LEU 192 CO 0.33 0.11 1.46 -0.69 -1.33 0.00 0.00 177.39 177.26 1k6s s VAL 193 N -2.55 2.53 0.00 4.08 1.01 -0.87 -1.02 120.40 123.59 1k6s s VAL 193 Ca 0.26 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1k6s s VAL 193 Cb 0.20 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1k6s s VAL 193 CO 0.50 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1k6s n THR 194 N 4.69 0.00 -3.71 3.92 -2.24 0.15 -4.90 114.28 112.19 1k6s n THR 194 Ca 0.17 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1k6s n THR 194 Cb 0.38 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 1k6s n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k6s s GLU 195 N -1.65 0.39 -0.06 -0.78 2.12 -1.15 -5.01 118.70 112.57 1k6s s GLU 195 Ca 0.00 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.04 1k6s s GLU 195 Cb 0.00 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1k6s s GLU 195 CO 0.00 -0.13 -0.11 0.00 -0.54 0.00 0.00 175.26 174.48 1k6s s ALA 196 N 1.03 1.17 0.04 6.30 0.00 -1.26 -0.33 121.76 128.71 1k6s s ALA 196 Ca -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1k6s s ALA 196 Cb -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1k6s s ALA 196 CO -0.08 0.12 -0.03 0.00 0.00 0.00 0.00 175.76 175.76 1k6s s ALA 197 N 0.59 0.41 0.38 0.00 0.00 0.55 -5.02 121.76 118.67 1k6s s ALA 197 Ca -0.12 -1.04 0.11 0.00 0.00 0.00 0.00 51.96 50.91 1k6s s ALA 197 Cb -0.15 0.23 0.88 0.00 0.00 0.00 0.00 23.12 24.09 1k6s s ALA 197 CO 0.03 -0.31 1.89 -1.35 0.00 0.00 0.00 175.76 176.02 1k6s h PRO 198 N 3.58 0.60 0.00 0.00 0.11 -2.01 -2.41 132.00 131.86 1k6s h PRO 198 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1k6s h PRO 198 Cb 1.16 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1k6s h PRO 198 CO 0.59 0.40 -0.85 0.39 -0.21 0.00 0.00 178.00 178.32 1k6s n GLU 199 N -4.53 0.27 -3.53 1.05 -0.58 -1.26 -4.99 120.64 107.07 1k6s n GLU 199 Ca 0.16 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.79 1k6s n GLU 199 Cb 0.48 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.68 1k6s n GLU 199 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1k6s s TYR 200 N -3.17 -0.48 -0.09 -0.32 -0.85 -0.91 -2.83 117.35 108.70 1k6s s TYR 200 Ca 0.05 0.51 0.00 0.00 -0.52 0.00 0.00 57.07 57.11 1k6s s TYR 200 Cb 0.14 0.41 0.02 0.00 0.38 0.00 0.00 41.96 42.91 1k6s s TYR 200 CO 0.77 -0.69 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.87 1k6s s LEU 201 N -2.09 1.16 -0.20 -3.49 2.96 -0.76 -0.33 118.68 115.93 1k6s s LEU 201 Ca -0.04 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1k6s s LEU 201 Cb -0.00 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 1k6s s LEU 201 CO -0.03 -0.10 0.09 -0.69 -1.32 0.00 0.00 176.35 174.30 1k6s s VAL 202 N 1.48 4.94 -0.15 1.68 1.01 0.56 -1.07 120.40 128.86 1k6s s VAL 202 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1k6s s VAL 202 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1k6s s VAL 202 CO -0.05 0.43 -0.08 -1.00 0.00 0.00 0.00 175.10 174.40 1k6s s HIS 203 N 0.59 2.93 0.15 5.22 3.76 0.09 -0.67 115.29 127.36 1k6s s HIS 203 Ca 0.05 -0.46 -0.24 0.00 -0.15 0.00 0.00 55.06 54.25 1k6s s HIS 203 Cb -0.13 -1.91 0.06 0.00 1.11 0.00 0.00 32.58 31.71 1k6s s HIS 203 CO 0.01 -0.12 0.78 -1.54 -0.85 0.00 0.00 174.74 173.01 1k6s s SER 204 N 0.38 -0.35 -0.15 1.40 1.04 -0.19 -0.29 113.70 115.54 1k6s s SER 204 Ca -0.07 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 1k6s s SER 204 Cb -0.15 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1k6s s SER 204 CO 0.04 -0.98 0.37 -0.75 0.98 0.00 0.00 173.24 172.90 1k6s s LYS 205 N -3.55 0.36 0.53 4.02 2.47 0.26 -4.79 119.74 119.03 1k6s s LYS 205 Ca 0.07 0.71 -0.03 0.00 -1.56 0.00 0.00 55.97 55.16 1k6s s LYS 205 Cb -0.02 -0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.33 1k6s s LYS 205 CO -0.03 -0.15 0.80 0.95 0.16 0.00 0.00 175.35 177.08 1k6s s THR 206 N 1.24 3.86 -0.07 3.43 -4.23 -1.26 -1.92 115.64 116.69 1k6s s THR 206 Ca -0.08 -0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.08 1k6s s THR 206 Cb -0.08 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.31 1k6s s THR 206 CO -0.10 -0.43 0.35 -0.83 -0.54 0.00 0.00 174.62 173.06 1k6s s GLY 207 N -4.26 -0.22 -0.26 3.99 0.00 -0.49 -3.74 107.32 102.33 1k6s s GLY 207 Ca 0.51 0.67 -0.06 0.00 0.00 0.00 0.00 44.72 45.84 1k6s s GLY 207 CO 0.42 0.48 0.54 -0.12 0.00 0.00 0.00 173.10 174.42 1k6s s PHE 208 N -0.67 -1.18 0.01 1.90 5.36 -1.26 0.34 117.98 122.48 1k6s s PHE 208 Ca -0.08 1.77 -0.10 0.00 -0.96 0.00 0.00 56.93 57.56 1k6s s PHE 208 Cb -0.04 0.51 -0.32 0.00 -0.34 0.00 0.00 43.02 42.83 1k6s s PHE 208 CO 0.03 -0.67 0.89 0.66 -1.46 0.00 0.00 175.22 174.67 1k6s h SER 209 N 8.07 0.63 -1.54 6.13 4.64 -1.66 -3.43 113.55 126.40 1k6s h SER 209 Ca -0.19 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 1k6s h SER 209 Cb 1.12 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1k6s h SER 209 CO 0.16 1.63 0.00 0.61 -0.87 0.00 0.00 176.83 178.36 1k6s n GLY 210 N 1.72 -0.78 0.08 -0.77 0.00 -1.26 -4.92 105.19 99.27 1k6s n GLY 210 Ca -0.18 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.46 1k6s n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k6s n VAL 211 N 5.70 0.00 -4.79 1.61 0.24 -1.26 -3.53 118.33 116.30 1k6s n VAL 211 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1k6s n VAL 211 Cb 0.00 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 1k6s n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k6s n GLY 212 N 1.35 -1.16 2.28 7.63 0.00 -1.26 -3.23 105.19 110.81 1k6s n GLY 212 Ca 0.12 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1k6s n GLY 212 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k6s n THR 213 N -1.58 0.00 -1.72 2.61 -2.24 0.32 -4.80 114.28 106.87 1k6s n THR 213 Ca 0.00 -1.45 -0.42 0.00 -2.27 0.00 0.00 64.05 59.91 1k6s n THR 213 Cb 0.00 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1k6s n THR 213 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k6s n GLU 214 N -0.93 2.76 -1.03 -0.78 2.13 -1.26 -0.57 120.64 120.96 1k6s n GLU 214 Ca -0.10 0.99 -0.01 0.00 0.66 0.00 0.00 57.16 58.71 1k6s n GLU 214 Cb 0.40 -2.83 -0.00 0.00 0.27 0.00 0.00 31.44 29.27 1k6s n GLU 214 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1k6s n SER 215 N 3.75 -5.79 -3.12 4.31 7.64 -1.26 -4.82 113.62 114.33 1k6s n SER 215 Ca 0.15 0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.85 1k6s n SER 215 Cb 0.35 -3.37 -0.04 0.00 -1.01 0.00 0.00 64.21 60.14 1k6s n SER 215 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1k6s n ASN 216 N -0.95 -0.17 -4.72 6.43 4.13 0.26 -5.14 115.26 115.10 1k6s n ASN 216 Ca -0.01 -2.86 -0.31 0.00 1.68 0.00 0.00 54.58 53.08 1k6s n ASN 216 Cb 0.48 -0.25 0.13 0.00 -1.54 0.00 0.00 39.78 38.60 1k6s n ASN 216 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1k6s s PRO 217 N -1.12 1.65 0.49 3.52 0.04 -1.20 0.12 135.00 138.50 1k6s s PRO 217 Ca 0.35 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.62 1k6s s PRO 217 Cb 0.21 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 33.05 1k6s s PRO 217 CO -0.12 -2.11 0.65 0.41 0.04 0.00 0.00 177.00 175.87 1k6s n GLY 218 N -0.59 -1.42 3.17 0.56 0.00 0.93 -4.67 105.19 103.17 1k6s n GLY 218 Ca 0.10 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 1k6s n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6s s VAL 219 N -2.39 1.32 -0.03 1.61 0.11 -1.26 -0.47 120.40 119.29 1k6s s VAL 219 Ca 0.37 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1k6s s VAL 219 Cb -0.01 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.68 1k6s s VAL 219 CO 0.26 0.22 -0.22 0.00 -3.33 0.00 0.00 175.10 172.03 1k6s s ALA 220 N -0.62 1.87 0.24 1.54 0.00 -0.56 -1.62 121.76 122.61 1k6s s ALA 220 Ca 0.05 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.16 1k6s s ALA 220 Cb -0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1k6s s ALA 220 CO 0.01 0.42 -0.14 -1.58 0.00 0.00 0.00 175.76 174.46 1k6s s TRP 221 N -0.34 1.90 -0.29 0.00 0.52 0.15 -1.91 118.94 118.96 1k6s s TRP 221 Ca 0.04 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.63 1k6s s TRP 221 Cb -0.10 -0.90 0.19 0.00 -1.15 0.00 0.00 33.47 31.50 1k6s s TRP 221 CO 0.01 0.44 0.58 -0.46 0.02 0.00 0.00 176.95 177.53 1k6s s TRP 222 N -2.86 -1.63 0.14 -1.98 -0.00 -0.59 -1.40 118.94 110.62 1k6s s TRP 222 Ca 0.26 1.44 0.07 0.00 -0.00 0.00 0.00 56.10 57.86 1k6s s TRP 222 Cb -0.01 0.44 -0.04 0.00 -0.00 0.00 0.00 33.47 33.86 1k6s s TRP 222 CO 0.10 -0.94 -0.15 0.14 -0.00 0.00 0.00 176.95 176.09 1k6s s VAL 223 N 2.83 1.48 -4.10 5.86 -7.23 -0.81 -1.19 120.40 117.24 1k6s s VAL 223 Ca 0.17 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1k6s s VAL 223 Cb -0.13 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1k6s s VAL 223 CO -0.23 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1k6s n GLY 224 N 0.43 -0.51 3.34 2.32 0.00 -0.55 -0.57 105.19 109.65 1k6s n GLY 224 Ca -0.15 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1k6s n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k6s s TRP 225 N -3.20 -0.31 -0.12 1.61 -2.14 0.60 -0.35 118.94 115.02 1k6s s TRP 225 Ca 0.00 0.21 0.03 0.00 2.66 0.00 0.00 56.10 59.00 1k6s s TRP 225 Cb 0.00 0.28 0.01 0.00 -3.10 0.00 0.00 33.47 30.66 1k6s s TRP 225 CO 0.00 -0.64 -0.22 0.08 -2.66 0.00 0.00 176.95 173.51 1k6s s VAL 226 N -2.86 1.99 -0.71 -0.66 1.01 0.14 -0.73 120.40 118.58 1k6s s VAL 226 Ca -0.03 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 1k6s s VAL 226 Cb -0.00 -1.75 0.18 0.00 0.00 0.00 0.00 36.38 34.81 1k6s s VAL 226 CO -0.05 0.54 0.63 -1.61 0.00 0.00 0.00 175.10 174.61 1k6s s GLU 227 N 0.67 3.24 -0.11 2.72 2.02 -0.23 -0.43 118.70 126.58 1k6s s GLU 227 Ca -0.11 -2.24 0.02 0.00 0.02 0.00 0.00 54.97 52.65 1k6s s GLU 227 Cb -0.16 -4.27 -0.01 0.00 0.10 0.00 0.00 34.13 29.79 1k6s s GLU 227 CO 0.02 -1.28 -0.17 0.21 0.02 0.00 0.00 175.26 174.06 1k6s s LYS 228 N 0.56 3.17 3.98 1.61 2.20 -0.74 -1.83 119.74 128.69 1k6s s LYS 228 Ca 0.13 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1k6s s LYS 228 Cb -0.17 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1k6s s LYS 228 CO -0.05 0.25 0.00 0.39 -0.36 0.00 0.00 175.35 175.58 1k6s n GLU 229 N 3.38 0.00 -0.28 4.03 -0.58 -1.13 -0.75 120.64 125.31 1k6s n GLU 229 Ca -0.18 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.66 1k6s n GLU 229 Cb 0.53 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.66 1k6s n GLU 229 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1k6s n THR 230 N 0.00 0.74 -3.95 2.62 -2.24 -1.26 -4.91 114.28 105.28 1k6s n THR 230 Ca 0.00 -0.77 -0.23 0.00 -2.27 0.00 0.00 64.05 60.78 1k6s n THR 230 Cb 0.00 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1k6s n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k6s s GLU 231 N -1.26 3.44 -0.04 -0.78 2.56 0.07 -4.98 118.70 117.71 1k6s s GLU 231 Ca 0.39 -0.68 0.02 0.00 0.00 0.00 0.00 54.97 54.71 1k6s s GLU 231 Cb 0.21 -2.92 0.01 0.00 2.00 0.00 0.00 34.13 33.43 1k6s s GLU 231 CO 0.28 0.47 -0.10 0.08 -0.56 0.00 0.00 175.26 175.43 1k6s s VAL 232 N -1.87 0.88 -0.21 3.70 1.01 -1.26 -1.80 120.40 120.84 1k6s s VAL 232 Ca 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1k6s s VAL 232 Cb -0.10 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1k6s s VAL 232 CO 0.29 0.28 -0.15 -0.31 0.00 0.00 0.00 175.10 175.21 1k6s s TYR 233 N 0.40 2.96 -0.08 5.22 2.02 0.43 -1.13 117.35 127.17 1k6s s TYR 233 Ca -0.07 -1.83 -0.14 0.00 -0.37 0.00 0.00 57.07 54.66 1k6s s TYR 233 Cb -0.11 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.45 1k6s s TYR 233 CO 0.01 -0.82 0.35 -0.06 -1.57 0.00 0.00 175.55 173.47 1k6s s PHE 234 N 1.24 3.60 0.06 2.71 0.08 -0.54 0.26 117.98 125.39 1k6s s PHE 234 Ca 0.00 0.80 0.01 0.00 0.12 0.00 0.00 56.93 57.87 1k6s s PHE 234 Cb -0.16 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 1k6s s PHE 234 CO -0.09 0.46 -0.06 -0.59 -0.10 0.00 0.00 175.22 174.84 1k6s s PHE 235 N -0.36 0.68 -0.14 0.36 -0.71 0.52 -0.59 117.98 117.73 1k6s s PHE 235 Ca 0.21 -0.72 -0.06 0.00 -1.04 0.00 0.00 56.93 55.31 1k6s s PHE 235 Cb -0.15 -0.41 0.06 0.00 -1.21 0.00 0.00 43.02 41.31 1k6s s PHE 235 CO 0.09 -0.16 0.32 0.00 -1.34 0.00 0.00 175.22 174.13 1k6s s ALA 236 N -2.51 -0.77 -0.01 1.99 0.00 -0.43 -1.48 121.76 118.55 1k6s s ALA 236 Ca -0.01 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1k6s s ALA 236 Cb -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1k6s s ALA 236 CO -0.03 -0.43 -0.06 0.12 0.00 0.00 0.00 175.76 175.35 1k6s s PHE 237 N 1.85 0.60 0.08 0.00 2.19 -0.33 -0.77 117.98 121.61 1k6s s PHE 237 Ca -0.05 -0.12 -0.08 0.00 0.33 0.00 0.00 56.93 57.01 1k6s s PHE 237 Cb -0.11 -0.41 -0.00 0.00 -1.31 0.00 0.00 43.02 41.19 1k6s s PHE 237 CO -0.10 -0.03 0.18 0.54 1.83 0.00 0.00 175.22 177.63 1k6s s ASN 238 N -0.02 0.14 0.05 6.13 2.20 -0.87 -1.54 114.94 121.03 1k6s s ASN 238 Ca 0.01 -0.65 -0.25 0.00 -0.94 0.00 0.00 52.86 51.03 1k6s s ASN 238 Cb -0.04 0.33 0.06 0.00 -2.00 0.00 0.00 41.25 39.60 1k6s s ASN 238 CO -0.00 -0.71 0.59 0.00 -2.94 0.00 0.00 177.10 174.04 1k6s s MET 239 N -3.76 1.12 0.36 3.55 0.23 -0.80 -0.96 119.30 119.02 1k6s s MET 239 Ca 0.04 -0.17 -0.26 0.00 -1.03 0.00 0.00 55.69 54.28 1k6s s MET 239 Cb 0.05 0.52 -0.09 0.00 -1.53 0.00 0.00 34.83 33.77 1k6s s MET 239 CO -0.10 -0.42 1.05 -0.51 -2.03 0.00 0.00 175.02 173.00 1k6s s ASP 240 N -1.98 6.97 -0.05 -1.18 1.01 -0.77 -1.50 116.67 119.18 1k6s s ASP 240 Ca -0.05 2.07 -0.02 0.00 0.71 0.00 0.00 52.55 55.26 1k6s s ASP 240 Cb -0.01 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1k6s s ASP 240 CO -0.02 -0.34 0.09 -0.51 0.21 0.00 0.00 175.17 174.60 1k6s s ILE 241 N -1.52 -0.08 -0.07 0.77 2.07 0.38 -4.75 121.20 118.00 1k6s s ILE 241 Ca 0.53 0.24 0.08 0.00 -1.41 0.00 0.00 60.65 60.09 1k6s s ILE 241 Cb -0.24 -0.17 -0.11 0.00 0.13 0.00 0.00 42.46 42.07 1k6s s ILE 241 CO 0.30 0.10 0.19 -0.90 -1.91 0.00 0.00 174.94 172.73 1k6s n ASP 242 N 4.42 2.76 -3.97 4.50 5.68 -1.26 -0.05 116.55 128.64 1k6s n ASP 242 Ca -0.23 -0.11 -0.20 0.00 -0.50 0.00 0.00 54.79 53.75 1k6s n ASP 242 Cb 0.51 1.29 -0.16 0.00 -1.14 0.00 0.00 41.12 41.62 1k6s n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1k6s s ASN 243 N -2.68 1.07 0.58 -1.12 3.84 -1.26 -4.72 114.94 110.65 1k6s s ASN 243 Ca -0.02 -0.16 0.30 0.00 0.21 0.00 0.00 52.86 53.19 1k6s s ASN 243 Cb 0.05 -0.32 1.77 0.00 -0.55 0.00 0.00 41.25 42.20 1k6s s ASN 243 CO 0.32 0.04 2.22 -0.33 -2.79 0.00 0.00 177.10 176.55 1k6s h GLU 244 N 6.52 0.00 0.00 0.43 5.08 -1.96 -2.35 114.58 122.30 1k6s h GLU 244 Ca -0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1k6s h GLU 244 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1k6s h GLU 244 CO 0.49 0.03 -0.02 0.66 -1.00 0.00 0.00 179.01 179.17 1k6s h SER 245 N 0.00 0.00 0.56 1.42 4.64 -2.03 -0.51 113.55 117.62 1k6s h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k6s h SER 245 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1k6s h SER 245 CO 0.00 0.02 -0.21 0.29 -0.87 0.00 0.00 176.83 176.06 1k6s n LYS 246 N -3.86 0.31 -0.26 4.77 5.02 -0.88 -4.34 118.16 118.91 1k6s n LYS 246 Ca -0.03 -0.12 0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1k6s n LYS 246 Cb 0.11 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.73 1k6s n LYS 246 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1k6s h LEU 247 N 0.29 -0.62 -1.51 -0.35 5.85 -1.22 0.11 115.31 117.86 1k6s h LEU 247 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1k6s h LEU 247 Cb 0.45 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1k6s h LEU 247 CO 0.00 -0.24 0.32 -0.65 -0.34 0.00 0.00 178.44 177.53 1k6s h PRO 248 N 0.02 0.00 0.00 5.25 0.11 -1.80 -0.34 132.00 135.25 1k6s h PRO 248 Ca 0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.45 1k6s h PRO 248 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1k6s h PRO 248 CO -0.76 0.00 -0.17 -0.07 -0.21 0.00 0.00 178.00 176.79 1k6s h LEU 249 N 0.00 0.00 -2.40 2.35 3.38 -1.10 -2.45 115.31 115.10 1k6s h LEU 249 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k6s h LEU 249 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1k6s h LEU 249 CO 0.00 0.17 0.00 0.08 0.09 0.00 0.00 178.44 178.78 1k6s h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.22 -2.53 114.38 111.87 1k6s h ARG 250 Ca -0.00 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.86 1k6s h ARG 250 Cb 0.51 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.56 1k6s h ARG 250 CO 0.02 0.00 -1.79 1.63 0.10 0.00 0.00 179.97 179.93 1k6s n LYS 251 N -2.96 0.34 -0.33 0.08 5.02 -1.04 -4.51 118.16 114.75 1k6s n LYS 251 Ca -0.02 0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1k6s n LYS 251 Cb 0.12 -1.23 0.11 0.00 -0.02 0.00 0.00 35.03 34.02 1k6s n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k6s h SER 252 N -0.10 1.11 0.12 4.39 4.64 -1.41 0.45 113.55 122.76 1k6s h SER 252 Ca -0.32 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1k6s h SER 252 Cb 1.45 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1k6s h SER 252 CO -0.08 0.87 -0.06 0.40 -0.87 0.00 0.00 176.83 177.09 1k6s h ILE 253 N 1.26 1.05 -0.56 0.95 2.04 -1.73 -0.26 117.51 120.26 1k6s h ILE 253 Ca 0.32 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 1k6s h ILE 253 Cb -0.02 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1k6s h ILE 253 CO -0.06 0.18 0.10 -0.65 0.00 0.00 0.00 178.15 177.72 1k6s h PRO 254 N -0.52 0.89 -0.58 2.37 0.11 -1.77 -1.96 132.00 130.54 1k6s h PRO 254 Ca -0.02 -0.21 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 1k6s h PRO 254 Cb 0.42 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1k6s h PRO 254 CO 0.03 0.82 0.29 1.15 -0.21 0.00 0.00 178.00 180.09 1k6s h THR 255 N 0.85 1.20 -0.88 -1.15 2.02 -0.87 -0.22 112.91 113.86 1k6s h THR 255 Ca 0.18 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1k6s h THR 255 Cb 0.36 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1k6s h THR 255 CO 0.01 0.22 0.52 0.11 0.37 0.00 0.00 175.52 176.75 1k6s h LYS 256 N 0.78 1.19 -0.11 6.66 1.57 -0.69 -0.39 116.57 125.59 1k6s h LYS 256 Ca 0.20 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1k6s h LYS 256 Cb 0.09 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1k6s h LYS 256 CO -0.03 0.84 -0.01 0.82 -0.57 0.00 0.00 179.45 180.50 1k6s h ILE 257 N 1.21 1.27 0.00 1.86 2.04 -0.87 -2.16 117.51 120.86 1k6s h ILE 257 Ca 0.31 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1k6s h ILE 257 Cb -0.04 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1k6s h ILE 257 CO -0.06 0.25 0.00 0.24 0.00 0.00 0.00 178.15 178.58 1k6s h MET 258 N -0.10 0.00 0.10 2.37 2.86 -0.87 -2.23 114.93 117.06 1k6s h MET 258 Ca 0.03 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.39 1k6s h MET 258 Cb 0.40 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.08 1k6s h MET 258 CO 0.01 0.00 -1.16 0.93 1.06 0.00 0.00 176.91 177.74 1k6s h GLU 259 N 0.00 0.62 0.00 1.72 5.08 -0.88 0.16 114.58 121.28 1k6s h GLU 259 Ca 0.00 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.57 1k6s h GLU 259 Cb 0.38 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1k6s h GLU 259 CO 0.00 1.36 0.00 -1.13 -1.00 0.00 0.00 179.01 178.24 1k6s n SER 260 N -3.84 0.00 -0.92 1.42 3.41 -0.83 -0.98 113.62 111.88 1k6s n SER 260 Ca -0.13 0.44 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 1k6s n SER 260 Cb 0.95 -0.47 0.15 0.00 -0.26 0.00 0.00 64.21 64.58 1k6s n SER 260 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k6s n GLU 261 N -1.47 2.12 -3.69 4.33 -0.58 -0.89 -4.97 120.64 115.49 1k6s n GLU 261 Ca 0.05 -1.97 -0.26 0.00 -0.42 0.00 0.00 57.16 54.56 1k6s n GLU 261 Cb 0.20 -1.41 0.06 0.00 -0.57 0.00 0.00 31.44 29.72 1k6s n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k6s n GLY 262 N 1.18 -0.52 0.13 0.62 0.00 -0.15 -4.92 105.19 101.53 1k6s n GLY 262 Ca 0.15 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 1k6s n GLY 262 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k6s n ILE 263 N -4.86 1.53 -0.86 -0.61 5.41 0.53 -5.03 119.36 115.47 1k6s n ILE 263 Ca -0.00 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1k6s n ILE 263 Cb 0.56 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1k6s n ILE 263 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85