#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6s s ILE 22 N 0.00 1.54 -0.12 2.46 1.01 -1.26 -2.02 121.20 122.81 1k6s s ILE 22 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1k6s s ILE 22 Cb 0.00 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1k6s s ILE 22 CO 0.00 0.45 -0.12 -0.89 0.00 0.00 0.00 174.94 174.38 1k6s s THR 23 N 1.17 3.14 0.29 2.92 2.01 -0.05 -5.00 115.64 120.11 1k6s s THR 23 Ca -0.02 -0.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 1k6s s THR 23 Cb -0.14 -2.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.97 1k6s s THR 23 CO -0.05 0.53 0.99 -0.70 -0.69 0.00 0.00 174.62 174.70 1k6s s GLU 24 N 0.15 4.64 -0.18 4.92 2.12 -1.26 -1.10 118.70 127.99 1k6s s GLU 24 Ca -0.06 1.51 -0.00 0.00 0.36 0.00 0.00 54.97 56.77 1k6s s GLU 24 Cb -0.15 -3.02 0.04 0.00 0.26 0.00 0.00 34.13 31.27 1k6s s GLU 24 CO 0.05 0.30 -0.06 1.21 -0.54 0.00 0.00 175.26 176.21 1k6s s ASN 25 N -1.30 3.01 0.37 -1.70 3.84 0.53 -4.82 114.94 114.87 1k6s s ASN 25 Ca 0.47 -0.75 0.16 0.00 0.21 0.00 0.00 52.86 52.95 1k6s s ASN 25 Cb -0.24 -0.98 0.74 0.00 -0.55 0.00 0.00 41.25 40.22 1k6s s ASN 25 CO 0.31 -0.19 1.79 0.71 -2.79 0.00 0.00 177.10 176.93 1k6s h THR 26 N 6.41 1.08 0.00 -5.21 1.35 -1.90 -3.17 112.91 111.46 1k6s h THR 26 Ca -0.24 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1k6s h THR 26 Cb 1.11 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1k6s h THR 26 CO 0.41 0.37 0.00 -1.54 -0.25 0.00 0.00 175.52 174.52 1k6s n SER 27 N -3.79 0.30 -0.03 5.36 3.41 -1.26 -2.99 113.62 114.61 1k6s n SER 27 Ca -0.01 -1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 57.48 1k6s n SER 27 Cb 0.46 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1k6s n SER 27 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1k6s n TRP 28 N -0.10 0.00 0.21 7.33 8.01 -1.20 -4.60 117.44 127.09 1k6s n TRP 28 Ca 0.00 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.21 1k6s n TRP 28 Cb 0.08 -0.32 0.12 0.00 -2.01 0.00 0.00 31.31 29.17 1k6s n TRP 28 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1k6s n ASN 29 N -2.26 0.00 -0.20 -0.99 3.02 -1.16 -2.28 115.26 111.39 1k6s n ASN 29 Ca -0.11 0.34 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 1k6s n ASN 29 Cb 0.71 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1k6s n ASN 29 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1k6s h LYS 30 N 0.00 0.95 0.00 3.52 3.64 -1.81 -1.13 116.57 121.74 1k6s h LYS 30 Ca 0.00 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.03 1k6s h LYS 30 Cb 0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1k6s h LYS 30 CO 0.00 0.92 -0.36 0.93 -2.27 0.00 0.00 179.45 178.67 1k6s h GLU 31 N 0.84 0.00 0.09 1.90 4.39 -1.79 -2.13 114.58 117.89 1k6s h GLU 31 Ca 0.17 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1k6s h GLU 31 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1k6s h GLU 31 CO 0.02 0.36 -0.04 0.74 -1.16 0.00 0.00 179.01 178.93 1k6s h PHE 32 N 0.00 -0.11 -0.71 4.33 0.04 -1.61 -3.28 116.94 115.60 1k6s h PHE 32 Ca -0.00 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1k6s h PHE 32 Cb 0.65 0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 1k6s h PHE 32 CO 0.00 0.24 0.47 0.66 -0.60 0.00 0.00 178.31 179.08 1k6s h SER 33 N -0.98 0.74 0.09 2.17 4.64 -1.27 0.29 113.55 119.24 1k6s h SER 33 Ca -0.01 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1k6s h SER 33 Cb 0.41 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1k6s h SER 33 CO 0.02 0.52 -0.02 0.00 -0.87 0.00 0.00 176.83 176.48 1k6s h ALA 34 N 1.58 1.35 -0.16 5.18 0.00 -1.51 -1.29 119.26 124.42 1k6s h ALA 34 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1k6s h ALA 34 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k6s h ALA 34 CO -0.08 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.59 1k6s n GLU 35 N -3.62 1.60 -3.83 0.00 -0.58 -0.18 -4.98 120.64 109.04 1k6s n GLU 35 Ca -0.03 -1.53 -0.28 0.00 -0.42 0.00 0.00 57.16 54.90 1k6s n GLU 35 Cb 0.11 -1.22 0.04 0.00 -0.57 0.00 0.00 31.44 29.80 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 0.50 -1.38 -2.78 0.62 0.00 -0.08 -4.97 120.51 112.42 1k6s n ALA 36 Ca 0.08 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1k6s n ALA 36 Cb 0.33 -4.39 -0.12 0.00 0.00 0.00 0.00 19.45 15.27 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 -3.34 3.77 -0.39 0.00 1.01 -0.58 -5.01 120.40 115.85 1k6s s VAL 37 Ca 0.57 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1k6s s VAL 37 Cb -0.28 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1k6s s VAL 37 CO 0.81 0.55 0.31 0.20 0.00 0.00 0.00 175.10 176.97 1k6s s ASN 38 N -0.24 6.11 0.03 3.32 0.01 -1.26 -4.51 114.94 118.40 1k6s s ASN 38 Ca 0.04 -0.70 -0.03 0.00 -0.71 0.00 0.00 52.86 51.45 1k6s s ASN 38 Cb -0.13 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.38 1k6s s ASN 38 CO 0.02 -0.41 0.15 0.61 -1.51 0.00 0.00 177.10 175.96 1k6s n GLY 39 N 5.13 1.28 3.18 0.66 0.00 -1.26 -1.04 105.19 113.13 1k6s n GLY 39 Ca -0.11 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.54 0.08 -0.05 1.61 0.11 -0.20 -4.87 120.40 114.54 1k6s s VAL 40 Ca 0.03 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1k6s s VAL 40 Cb -0.00 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1k6s s VAL 40 CO 0.01 -0.37 -0.11 0.12 -3.33 0.00 0.00 175.10 171.42 1k6s s PHE 41 N -1.73 1.24 -0.12 1.54 5.36 -1.26 -1.93 117.98 121.08 1k6s s PHE 41 Ca -0.11 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.49 1k6s s PHE 41 Cb -0.05 -0.90 0.01 0.00 -0.34 0.00 0.00 43.02 41.74 1k6s s PHE 41 CO 0.01 -0.19 -0.20 0.08 -1.46 0.00 0.00 175.22 173.46 1k6s s VAL 42 N 0.46 1.85 -0.06 3.12 1.01 0.66 -3.50 120.40 123.94 1k6s s VAL 42 Ca -0.09 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1k6s s VAL 42 Cb -0.13 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1k6s s VAL 42 CO 0.02 0.51 -0.07 -0.22 0.00 0.00 0.00 175.10 175.34 1k6s s LEU 43 N 0.77 1.36 -0.03 3.92 2.96 -0.31 -1.19 118.68 126.15 1k6s s LEU 43 Ca -0.09 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1k6s s LEU 43 Cb -0.16 -0.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 1k6s s LEU 43 CO 0.00 -0.04 -0.14 0.00 -1.32 0.00 0.00 176.35 174.85 1k6s s LYS 45 N 0.07 3.39 0.00 0.00 2.20 -1.24 -1.06 119.74 123.10 1k6s s LYS 45 Ca -0.03 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1k6s s LYS 45 Cb -0.10 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1k6s s LYS 45 CO 0.01 0.75 0.00 0.45 -0.36 0.00 0.00 175.35 176.20 1k6s n SER 46 N 1.79 0.00 -3.65 1.43 2.88 0.62 -4.73 113.62 111.96 1k6s n SER 46 Ca -0.18 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 1k6s n SER 46 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1k6s n SER 46 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1k6s s SER 47 N 0.00 -0.20 0.00 -3.46 1.04 -1.26 -4.87 113.70 104.95 1k6s s SER 47 Ca 0.00 -0.72 0.15 0.00 0.48 0.00 0.00 55.95 55.86 1k6s s SER 47 Cb 0.00 0.75 0.67 0.00 0.10 0.00 0.00 66.02 67.55 1k6s s SER 47 CO 0.00 -1.41 1.47 -1.54 0.98 0.00 0.00 173.24 172.74 1k6s n SER 48 N -0.67 0.95 0.06 7.02 3.41 -1.26 -3.70 113.62 119.44 1k6s n SER 48 Ca -0.05 -1.71 -0.10 0.00 -0.26 0.00 0.00 58.87 56.74 1k6s n SER 48 Cb 0.59 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1k6s n SER 48 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1k6s h LYS 49 N 1.19 0.39 -4.20 4.33 2.10 -1.90 -3.41 116.57 115.06 1k6s h LYS 49 Ca 0.00 -0.34 -0.62 0.00 -2.00 0.00 0.00 60.65 57.70 1k6s h LYS 49 Cb 0.26 0.08 -0.39 0.00 -0.90 0.00 0.00 32.23 31.28 1k6s h LYS 49 CO 0.00 0.99 -0.76 0.45 -2.00 0.00 0.00 179.45 178.13 1k6s s SER 50 N -6.99 4.17 0.24 7.07 0.15 -1.24 -2.30 113.70 114.80 1k6s s SER 50 Ca -0.05 -1.61 0.12 0.00 0.70 0.00 0.00 55.95 55.10 1k6s s SER 50 Cb 0.10 -1.21 -0.05 0.00 -1.71 0.00 0.00 66.02 63.15 1k6s s SER 50 CO 0.84 -0.34 -0.22 0.00 1.20 0.00 0.00 173.24 174.73 1k6s s ALA 52 N -2.13 2.48 0.23 0.00 0.00 0.67 -0.87 121.76 122.14 1k6s s ALA 52 Ca 0.25 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.54 1k6s s ALA 52 Cb -0.06 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1k6s s ALA 52 CO 0.12 0.52 0.58 -0.08 0.00 0.00 0.00 175.76 176.90 1k6s s THR 53 N -1.23 0.01 -0.58 0.00 -1.32 -0.26 -1.17 115.64 111.10 1k6s s THR 53 Ca 0.16 -0.96 0.23 0.00 -1.21 0.00 0.00 61.69 59.91 1k6s s THR 53 Cb -0.10 -1.83 -0.12 0.00 -1.51 0.00 0.00 72.50 68.95 1k6s s THR 53 CO 0.08 -0.05 1.01 -0.46 -2.21 0.00 0.00 174.62 172.99 1k6s n ASN 54 N -0.39 0.60 -3.36 8.08 6.94 -1.23 0.20 115.26 126.10 1k6s n ASN 54 Ca -0.06 -0.19 -0.13 0.00 -0.02 0.00 0.00 54.58 54.18 1k6s n ASN 54 Cb 0.61 0.82 -0.08 0.00 -2.36 0.00 0.00 39.78 38.77 1k6s n ASN 54 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1k6s s ASP 55 N -4.00 1.03 0.21 0.53 -1.08 -1.26 -4.72 116.67 107.39 1k6s s ASP 55 Ca 0.03 -0.50 -0.09 0.00 -0.52 0.00 0.00 52.55 51.47 1k6s s ASP 55 Cb 0.14 0.79 0.31 0.00 -1.46 0.00 0.00 42.92 42.70 1k6s s ASP 55 CO 0.80 -0.37 1.72 -0.07 0.52 0.00 0.00 175.17 177.78 1k6s h LEU 56 N 8.22 0.13 0.51 -1.34 3.38 -1.95 -0.84 115.31 123.42 1k6s h LEU 56 Ca -0.12 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1k6s h LEU 56 Cb 1.10 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1k6s h LEU 56 CO 0.30 0.07 -0.24 0.00 0.09 0.00 0.00 178.44 178.66 1k6s h ALA 57 N 1.46 -0.68 0.00 1.53 0.00 -2.01 -3.12 119.26 116.44 1k6s h ALA 57 Ca 0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1k6s h ALA 57 Cb 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1k6s h ALA 57 CO -0.36 -0.87 -0.21 -0.09 0.00 0.00 0.00 179.25 177.72 1k6s h ARG 58 N -0.72 0.00 -0.64 0.00 2.43 -1.91 -2.91 114.38 110.64 1k6s h ARG 58 Ca -0.07 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 1k6s h ARG 58 Cb 0.54 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1k6s h ARG 58 CO 0.11 0.21 0.42 0.00 -1.51 0.00 0.00 179.97 179.21 1k6s h ALA 59 N 1.79 1.87 -0.09 2.80 0.00 -1.09 -2.04 119.26 122.50 1k6s h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k6s h ALA 59 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1k6s h ALA 59 CO 0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1k6s n SER 60 N -4.48 2.76 -4.74 0.00 7.64 -1.12 -1.83 113.62 111.86 1k6s n SER 60 Ca 0.10 -1.84 -0.41 0.00 1.01 0.00 0.00 58.87 57.73 1k6s n SER 60 Cb 0.30 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 1k6s n SER 60 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k6s s LYS 61 N -1.56 4.51 -0.04 1.43 2.20 -0.77 -4.72 119.74 120.80 1k6s s LYS 61 Ca 0.25 1.85 -0.18 0.00 -0.36 0.00 0.00 55.97 57.54 1k6s s LYS 61 Cb 0.17 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 1k6s s LYS 61 CO 0.25 -0.05 0.49 -1.21 -0.36 0.00 0.00 175.35 174.47 1k6s s GLU 62 N -0.34 4.20 0.17 4.03 2.02 -1.26 -4.08 118.70 123.43 1k6s s GLU 62 Ca 0.52 0.53 0.04 0.00 0.02 0.00 0.00 54.97 56.08 1k6s s GLU 62 Cb -0.32 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 1k6s s GLU 62 CO 0.37 0.41 -0.06 0.71 0.02 0.00 0.00 175.26 176.71 1k6s s TYR 63 N -0.24 1.30 0.18 1.61 2.02 -0.19 -4.67 117.35 117.35 1k6s s TYR 63 Ca 0.27 -0.85 -0.32 0.00 -0.37 0.00 0.00 57.07 55.80 1k6s s TYR 63 Cb -0.17 -0.70 -0.11 0.00 -0.40 0.00 0.00 41.96 40.58 1k6s s TYR 63 CO 0.14 -0.01 1.77 -1.17 -1.57 0.00 0.00 175.55 174.71 1k6s s LEU 64 N -3.19 4.38 0.42 -1.29 2.96 -1.26 -0.37 118.68 120.34 1k6s s LEU 64 Ca 0.20 2.84 0.22 0.00 -0.22 0.00 0.00 54.13 57.16 1k6s s LEU 64 Cb 0.04 -3.59 0.88 0.00 0.50 0.00 0.00 46.19 44.02 1k6s s LEU 64 CO 0.03 -0.99 1.82 1.55 -1.32 0.00 0.00 176.35 177.44 1k6s h PRO 65 N 7.47 0.00 0.00 0.98 0.13 -1.75 -3.47 132.00 135.37 1k6s h PRO 65 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.95 0.28 0.00 0.00 -0.23 0.00 0.00 178.00 179.00 1k6s n ALA 66 N -2.27 0.00 0.17 -0.56 0.00 -0.41 -2.06 120.51 115.38 1k6s n ALA 66 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1k6s n ALA 66 Cb 0.44 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.31 0.00 0.17 0.00 7.64 -1.26 -1.40 113.62 117.46 1k6s n SER 67 Ca 0.00 0.33 0.13 0.00 1.01 0.00 0.00 58.87 60.34 1k6s n SER 67 Cb 0.00 -0.36 0.56 0.00 -1.01 0.00 0.00 64.21 63.40 1k6s n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k6s h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.54 -3.40 112.91 109.76 1k6s h THR 68 Ca 0.00 -0.25 -0.44 0.00 -0.55 0.00 0.00 66.41 65.17 1k6s h THR 68 Cb 0.05 1.02 0.03 0.00 -1.73 0.00 0.00 68.15 67.52 1k6s h THR 68 CO 0.00 0.00 2.31 0.33 -0.25 0.00 0.00 175.52 177.91 1k6s n PHE 69 N -2.43 1.35 0.00 4.73 7.35 -0.49 -4.43 117.46 123.54 1k6s n PHE 69 Ca 0.01 -1.72 0.00 0.00 -0.76 0.00 0.00 57.45 54.98 1k6s n PHE 69 Cb 0.22 -1.55 0.00 0.00 0.35 0.00 0.00 39.48 38.50 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 4.97 0.00 -0.04 -2.13 5.41 -1.26 -1.50 119.36 124.81 1k6s n ILE 71 Ca 0.42 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 64.16 1k6s n ILE 71 Cb 0.22 0.00 0.28 0.00 -0.71 0.00 0.00 39.64 39.43 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 0.62 -0.81 0.38 0.13 -1.98 -2.43 132.00 127.92 1k6s h PRO 72 Ca 0.00 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.98 1k6s h PRO 72 Cb 0.00 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.00 1k6s h PRO 72 CO 0.00 0.59 0.37 -0.97 -0.23 0.00 0.00 178.00 177.76 1k6s h ASN 73 N 0.60 1.07 -0.48 1.44 -1.24 -1.63 0.11 115.58 115.44 1k6s h ASN 73 Ca 0.13 -0.14 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1k6s h ASN 73 Cb 0.28 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1k6s h ASN 73 CO 0.00 0.91 0.10 0.00 -1.29 0.00 0.00 177.43 177.15 1k6s h ALA 74 N 1.25 0.64 -0.25 1.57 0.00 -1.71 0.27 119.26 121.03 1k6s h ALA 74 Ca 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1k6s h ALA 74 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k6s h ALA 74 CO -0.03 0.35 0.13 0.82 0.00 0.00 0.00 179.25 180.52 1k6s h ILE 75 N 0.66 1.12 -0.55 0.00 2.04 -1.03 -1.61 117.51 118.14 1k6s h ILE 75 Ca 0.15 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1k6s h ILE 75 Cb 0.36 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1k6s h ILE 75 CO 0.01 0.12 0.06 0.40 0.00 0.00 0.00 178.15 178.73 1k6s h ILE 76 N 0.28 1.25 -0.55 -0.67 2.04 -0.86 0.42 117.51 119.41 1k6s h ILE 76 Ca 0.09 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1k6s h ILE 76 Cb 0.07 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1k6s h ILE 76 CO -0.01 0.35 0.29 1.23 0.00 0.00 0.00 178.15 180.01 1k6s h GLY 77 N 1.00 0.84 0.85 5.37 0.00 -0.70 -1.20 103.07 109.23 1k6s h GLY 77 Ca 0.17 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1k6s h GLY 77 CO 0.01 0.38 -0.06 1.41 0.00 0.00 0.00 176.54 178.28 1k6s h LEU 78 N 0.74 0.50 -1.12 3.11 3.38 -0.95 -0.45 115.31 120.52 1k6s h LEU 78 Ca 0.19 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1k6s h LEU 78 Cb 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1k6s h LEU 78 CO -0.03 0.75 0.57 -0.33 0.09 0.00 0.00 178.44 179.49 1k6s h GLU 79 N 0.24 1.16 -0.00 1.13 4.39 -0.78 -2.45 114.58 118.27 1k6s h GLU 79 Ca 0.06 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1k6s h GLU 79 Cb 0.53 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1k6s h GLU 79 CO 0.03 0.77 -0.14 0.25 -1.16 0.00 0.00 179.01 178.76 1k6s n THR 80 N -4.39 0.00 -0.34 1.13 -2.24 -0.47 -4.91 114.28 103.06 1k6s n THR 80 Ca 0.10 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1k6s n THR 80 Cb 0.03 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 1.33 1.49 0.37 3.38 0.00 -0.92 -4.88 105.19 105.96 1k6s n GLY 81 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 1.14 -3.50 1.61 2.07 -1.52 -3.26 116.25 112.78 1k6s h VAL 82 Ca 0.00 -0.42 -0.72 0.00 0.82 0.00 0.00 66.70 66.38 1k6s h VAL 82 Cb 0.00 -0.21 -0.25 0.00 -1.52 0.00 0.00 31.29 29.31 1k6s h VAL 82 CO 0.00 0.22 -0.47 -0.63 0.02 0.00 0.00 177.57 176.71 1k6s s ILE 83 N -6.06 4.58 0.30 4.57 1.01 -0.29 -4.99 121.20 120.32 1k6s s ILE 83 Ca -0.13 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.51 1k6s s ILE 83 Cb 0.20 -3.66 0.29 0.00 0.01 0.00 0.00 42.46 39.30 1k6s s ILE 83 CO 0.82 -0.37 1.78 0.11 0.00 0.00 0.00 174.94 177.28 1k6s h LYS 84 N 8.48 0.77 0.00 2.79 1.57 -1.86 -3.39 116.57 124.93 1k6s h LYS 84 Ca -0.25 -0.05 0.29 0.00 -1.87 0.00 0.00 60.65 58.78 1k6s h LYS 84 Cb 1.10 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 1k6s h LYS 84 CO 0.73 0.51 0.74 0.27 -0.57 0.00 0.00 179.45 181.13 1k6s n ASN 85 N -4.75 -0.85 0.32 0.86 0.23 -1.26 -5.00 115.26 104.81 1k6s n ASN 85 Ca 0.22 -1.10 0.22 0.00 -0.53 0.00 0.00 54.58 53.39 1k6s n ASN 85 Cb 0.52 1.30 1.10 0.00 -2.08 0.00 0.00 39.78 40.62 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 -0.49 -3.83 4.11 -1.99 -1.99 114.58 110.39 1k6s h GLU 86 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1k6s h GLU 86 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1k6s h GLU 86 CO 0.23 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.03 1k6s n HIS 87 N -3.07 0.65 -1.69 2.06 8.25 -1.26 -4.57 115.22 115.58 1k6s n HIS 87 Ca -0.02 -0.32 -0.44 0.00 -0.26 0.00 0.00 57.72 56.67 1k6s n HIS 87 Cb 0.12 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 1k6s n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1k6s n GLN 88 N 1.41 2.42 -4.22 -0.41 -0.06 -0.75 -4.98 117.38 110.78 1k6s n GLN 88 Ca 0.21 0.87 -0.34 0.00 -2.00 0.00 0.00 57.00 55.74 1k6s n GLN 88 Cb 0.57 -2.66 -0.11 0.00 -4.06 0.00 0.00 30.24 23.98 1k6s n GLN 88 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1k6s s VAL 89 N 0.83 4.32 -0.62 1.69 1.01 -1.26 -3.94 120.40 122.43 1k6s s VAL 89 Ca 0.75 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1k6s s VAL 89 Cb -0.59 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.00 1k6s s VAL 89 CO 0.38 0.49 0.67 -0.36 0.00 0.00 0.00 175.10 176.27 1k6s s PHE 90 N 0.28 3.18 0.20 5.22 0.08 0.25 -4.93 117.98 122.26 1k6s s PHE 90 Ca 0.00 -1.21 -0.30 0.00 0.12 0.00 0.00 56.93 55.53 1k6s s PHE 90 Cb -0.13 -3.94 -0.09 0.00 -0.57 0.00 0.00 43.02 38.29 1k6s s PHE 90 CO 0.02 -1.18 1.38 0.15 -0.10 0.00 0.00 175.22 175.48 1k6s s LYS 91 N 2.04 4.33 -0.03 0.44 -0.14 -1.26 -1.34 119.74 123.78 1k6s s LYS 91 Ca 0.11 2.15 -0.25 0.00 -1.36 0.00 0.00 55.97 56.61 1k6s s LYS 91 Cb -0.23 -3.18 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 1k6s s LYS 91 CO 0.03 -0.36 0.77 -0.46 -0.76 0.00 0.00 175.35 174.57 1k6s s TRP 92 N 0.32 3.63 -2.10 3.18 -0.00 -1.26 -4.94 118.94 117.76 1k6s s TRP 92 Ca 0.60 1.39 0.25 0.00 -0.00 0.00 0.00 56.10 58.34 1k6s s TRP 92 Cb -0.39 -2.88 1.32 0.00 -0.00 0.00 0.00 33.47 31.53 1k6s s TRP 92 CO 0.38 0.10 1.87 -0.40 -0.00 0.00 0.00 176.95 178.90 1k6s n ASP 93 N 3.62 0.42 0.00 5.86 5.68 -1.26 -4.88 116.55 125.98 1k6s n ASP 93 Ca 0.00 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 1k6s n ASP 93 Cb 0.51 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1k6s n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k6s n GLY 94 N 0.96 1.80 3.75 6.12 0.00 -1.26 -5.03 105.19 111.53 1k6s n GLY 94 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.38 4.79 0.26 1.61 -0.14 -1.26 -4.98 119.74 119.64 1k6s s LYS 95 Ca 0.00 1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 55.89 1k6s s LYS 95 Cb 0.00 -3.24 -0.14 0.00 -1.68 0.00 0.00 37.83 32.77 1k6s s LYS 95 CO 0.00 0.42 1.06 -2.30 -0.76 0.00 0.00 175.35 173.77 1k6s n PRO 96 N 1.37 1.32 -4.31 -1.68 -0.02 -1.26 -5.00 135.00 125.43 1k6s n PRO 96 Ca -0.02 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1k6s n PRO 96 Cb 0.46 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 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 -1.23 1.21 0.44 -0.52 0.52 -1.26 -5.05 118.95 113.06 1k6s s ARG 97 Ca 0.62 -1.33 0.23 0.00 -0.52 0.00 0.00 55.73 54.73 1k6s s ARG 97 Cb -0.73 -1.28 1.22 0.00 0.52 0.00 0.00 34.95 34.67 1k6s s ARG 97 CO 0.58 0.27 1.80 0.00 0.02 0.00 0.00 175.30 177.96 1k6s h ALA 98 N 3.45 2.45 -4.38 2.13 0.00 -1.98 -3.40 119.26 117.53 1k6s h ALA 98 Ca -0.43 0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 1k6s h ALA 98 Cb 1.20 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 1k6s h ALA 98 CO 0.49 -0.81 -0.86 -1.64 0.00 0.00 0.00 179.25 176.43 1k6s s MET 99 N -5.33 1.73 0.33 0.00 -1.94 -1.26 -5.03 119.30 107.80 1k6s s MET 99 Ca -0.08 -0.74 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 1k6s s MET 99 Cb 0.24 -1.65 0.59 0.00 2.01 0.00 0.00 34.83 36.02 1k6s s MET 99 CO 0.79 0.43 1.98 0.87 -0.01 0.00 0.00 175.02 179.08 1k6s h LYS 100 N 5.69 0.91 0.00 2.03 1.57 -1.98 -1.07 116.57 123.71 1k6s h LYS 100 Ca -0.38 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1k6s h LYS 100 Cb 1.14 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1k6s h LYS 100 CO 0.48 0.60 0.00 1.04 -0.57 0.00 0.00 179.45 181.00 1k6s n GLN 101 N -4.44 0.07 0.02 3.15 3.00 -1.26 -0.75 117.38 117.16 1k6s n GLN 101 Ca 0.09 0.56 0.11 0.00 -0.01 0.00 0.00 57.00 57.75 1k6s n GLN 101 Cb 0.09 -1.74 -0.03 0.00 0.00 0.00 0.00 30.24 28.56 1k6s n GLN 101 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1k6s n TRP 102 N -1.89 0.18 -2.21 1.08 8.01 -0.41 -4.68 117.44 117.52 1k6s n TRP 102 Ca -0.01 0.05 -0.43 0.00 -1.31 0.00 0.00 57.50 55.81 1k6s n TRP 102 Cb 0.03 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 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 -1.92 3.21 -3.62 -0.99 1.02 0.07 -4.81 120.64 113.60 1k6s n GLU 103 Ca 0.01 -3.16 -0.01 0.00 -0.02 0.00 0.00 57.16 53.98 1k6s n GLU 103 Cb 0.44 -3.18 -0.02 0.00 -0.02 0.00 0.00 31.44 28.66 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 2.30 0.11 0.54 3.49 1.70 -1.26 -5.07 118.95 120.76 1k6s s ARG 104 Ca 0.45 -0.04 -0.21 0.00 -0.47 0.00 0.00 55.73 55.46 1k6s s ARG 104 Cb 0.09 0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 1k6s s ARG 104 CO -0.02 -0.05 1.27 -0.51 -1.08 0.00 0.00 175.30 174.92 1k6s s ASP 105 N -2.28 5.42 -0.00 -2.89 1.01 -1.26 -4.31 116.67 112.35 1k6s s ASP 105 Ca 0.12 2.56 -0.03 0.00 0.71 0.00 0.00 52.55 55.91 1k6s s ASP 105 Cb 0.01 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 1k6s s ASP 105 CO -0.04 -1.45 0.06 -0.76 0.21 0.00 0.00 175.17 173.19 1k6s s LEU 106 N -3.59 1.83 0.77 1.23 1.43 -0.45 -4.96 118.68 114.95 1k6s s LEU 106 Ca 0.72 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1k6s s LEU 106 Cb -0.35 0.34 0.14 0.00 0.03 0.00 0.00 46.19 46.35 1k6s s LEU 106 CO 0.41 -0.22 1.06 0.42 0.23 0.00 0.00 176.35 178.24 1k6s s THR 107 N -0.88 2.11 0.05 5.49 -4.23 -1.26 0.87 115.64 117.79 1k6s s THR 107 Ca -0.10 -0.47 -0.25 0.00 -1.18 0.00 0.00 61.69 59.69 1k6s s THR 107 Cb -0.06 -2.64 -0.17 0.00 1.34 0.00 0.00 72.50 70.97 1k6s s THR 107 CO 0.00 0.00 1.56 0.25 -0.54 0.00 0.00 174.62 175.89 1k6s h LEU 108 N -0.74 -0.09 -1.06 4.79 5.85 -1.81 0.49 115.31 122.73 1k6s h LEU 108 Ca -0.38 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.22 1k6s h LEU 108 Cb 1.26 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1k6s h LEU 108 CO 0.40 0.08 0.64 -0.09 -0.34 0.00 0.00 178.44 179.13 1k6s h ARG 109 N -0.27 1.23 -0.21 1.25 2.43 -1.90 -1.20 114.38 115.71 1k6s h ARG 109 Ca -0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1k6s h ARG 109 Cb 0.23 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1k6s h ARG 109 CO 0.02 0.82 0.11 0.78 -1.51 0.00 0.00 179.97 180.19 1k6s h GLY 110 N 1.27 0.32 1.22 2.80 0.00 -1.85 0.72 103.07 107.55 1k6s h GLY 110 Ca 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1k6s h GLY 110 CO -0.09 0.14 0.30 0.00 0.00 0.00 0.00 176.54 176.89 1k6s h ALA 111 N 1.00 1.23 0.04 3.60 0.00 -0.51 -1.90 119.26 122.71 1k6s h ALA 111 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k6s h ALA 111 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1k6s h ALA 111 CO -0.01 0.58 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 1k6s h ILE 112 N 0.99 1.25 -0.93 0.00 2.04 -0.96 0.71 117.51 120.60 1k6s h ILE 112 Ca 0.24 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1k6s h ILE 112 Cb 0.15 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1k6s h ILE 112 CO -0.02 0.24 0.61 1.56 0.00 0.00 0.00 178.15 180.54 1k6s h GLN 113 N -0.47 1.18 -0.17 2.37 1.08 -0.69 -1.52 115.11 116.89 1k6s h GLN 113 Ca -0.01 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1k6s h GLN 113 Cb 0.43 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1k6s h GLN 113 CO 0.01 0.78 0.00 1.33 -0.95 0.00 0.00 178.83 180.00 1k6s n VAL 114 N -4.42 0.21 -3.59 -0.54 0.24 -0.73 -4.95 118.33 104.55 1k6s n VAL 114 Ca 0.12 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.34 61.78 1k6s n VAL 114 Cb 0.06 0.69 0.06 0.00 -1.47 0.00 0.00 33.84 33.18 1k6s n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1k6s n SER 115 N 0.71 -1.69 -4.57 -1.34 2.88 -0.57 -4.85 113.62 104.19 1k6s n SER 115 Ca 0.17 -0.73 -0.29 0.00 -1.33 0.00 0.00 58.87 56.69 1k6s n SER 115 Cb 0.44 -4.52 -0.05 0.00 -0.75 0.00 0.00 64.21 59.32 1k6s n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k6s s ALA 116 N -3.53 1.87 0.18 -1.46 0.00 0.18 -4.86 121.76 114.15 1k6s s ALA 116 Ca 0.03 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 1k6s s ALA 116 Cb -0.01 -4.60 0.13 0.00 0.00 0.00 0.00 23.12 18.64 1k6s s ALA 116 CO 0.78 -4.81 1.61 0.28 0.00 0.00 0.00 175.76 173.62 1k6s h VAL 117 N 6.74 0.30 -0.82 0.00 2.07 -1.88 -2.11 116.25 120.54 1k6s h VAL 117 Ca 0.17 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.83 1k6s h VAL 117 Cb 0.97 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1k6s h VAL 117 CO 1.24 0.00 0.54 1.55 0.02 0.00 0.00 177.57 180.92 1k6s h PRO 118 N -0.13 0.57 -0.18 1.57 0.13 -1.99 0.15 132.00 132.12 1k6s h PRO 118 Ca 0.23 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1k6s h PRO 118 Cb 0.49 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1k6s h PRO 118 CO -0.58 0.38 0.10 0.28 -0.23 0.00 0.00 178.00 177.94 1k6s h VAL 119 N 0.59 1.11 0.00 1.56 2.07 -1.80 -1.89 116.25 117.89 1k6s h VAL 119 Ca 0.41 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 1k6s h VAL 119 Cb 0.73 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1k6s h VAL 119 CO -0.16 0.10 -0.31 -0.26 0.02 0.00 0.00 177.57 176.95 1k6s h PHE 120 N 0.19 0.00 -0.43 1.57 0.04 -1.12 -2.05 116.94 115.14 1k6s h PHE 120 Ca 0.06 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 1k6s h PHE 120 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1k6s h PHE 120 CO -0.04 0.31 -0.21 1.96 -0.60 0.00 0.00 178.31 179.73 1k6s h GLN 121 N 0.00 0.90 -0.40 1.51 4.20 -0.49 -0.74 115.11 120.09 1k6s h GLN 121 Ca -0.00 -0.40 -0.12 0.00 0.06 0.00 0.00 58.65 58.19 1k6s h GLN 121 Cb 0.90 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1k6s h GLN 121 CO 0.04 1.05 -0.24 0.37 -0.67 0.00 0.00 178.83 179.38 1k6s h GLN 122 N 0.73 0.83 -0.41 1.46 5.75 -1.12 -1.27 115.11 121.09 1k6s h GLN 122 Ca 0.10 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1k6s h GLN 122 Cb 0.78 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 1k6s h GLN 122 CO 0.06 0.98 0.27 0.82 -2.65 0.00 0.00 178.83 178.31 1k6s h ILE 123 N 0.72 1.11 -0.30 2.39 2.04 -1.19 -1.90 117.51 120.36 1k6s h ILE 123 Ca 0.09 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1k6s h ILE 123 Cb 0.77 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1k6s h ILE 123 CO 0.06 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.45 1k6s h ALA 124 N 1.15 0.36 -0.92 1.87 0.00 -0.83 0.35 119.26 121.24 1k6s h ALA 124 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1k6s h ALA 124 Cb -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1k6s h ALA 124 CO -0.03 -0.26 0.59 0.00 0.00 0.00 0.00 179.25 179.55 1k6s h ARG 125 N 0.29 1.07 -0.02 0.00 3.08 -0.91 -0.17 114.38 117.71 1k6s h ARG 125 Ca 0.13 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 1k6s h ARG 125 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1k6s h ARG 125 CO -0.10 0.71 -0.71 0.93 -1.07 0.00 0.00 179.97 179.72 1k6s h GLU 126 N 1.10 0.13 -0.37 0.04 5.08 -0.90 -2.92 114.58 116.74 1k6s h GLU 126 Ca 0.38 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1k6s h GLU 126 Cb 0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1k6s h GLU 126 CO -0.15 0.79 0.09 0.28 -1.00 0.00 0.00 179.01 179.02 1k6s h VAL 127 N 0.09 1.23 0.00 3.13 2.07 -0.28 -3.50 116.25 118.99 1k6s h VAL 127 Ca -0.02 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1k6s h VAL 127 Cb 1.26 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1k6s h VAL 127 CO 0.10 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1k6s n GLY 128 N -0.57 -1.57 0.30 2.17 0.00 -0.14 -4.31 105.19 101.08 1k6s n GLY 128 Ca -0.01 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 1k6s n GLY 128 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k6s h GLU 129 N 0.00 1.04 0.04 1.61 4.11 -1.88 -0.95 114.58 118.55 1k6s h GLU 129 Ca 0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 1k6s h GLU 129 Cb 0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1k6s h GLU 129 CO 0.00 0.74 -0.02 0.28 0.07 0.00 0.00 179.01 180.08 1k6s h VAL 130 N 1.04 0.97 -0.20 -1.06 2.07 -2.00 0.10 116.25 117.18 1k6s h VAL 130 Ca 0.27 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.64 1k6s h VAL 130 Cb -0.03 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1k6s h VAL 130 CO -0.05 0.01 -0.39 0.03 0.02 0.00 0.00 177.57 177.19 1k6s h ARG 131 N -0.07 0.44 -0.22 1.57 3.08 -1.73 -1.62 114.38 115.84 1k6s h ARG 131 Ca -0.01 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1k6s h ARG 131 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1k6s h ARG 131 CO 0.01 0.76 0.08 1.98 -1.07 0.00 0.00 179.97 181.73 1k6s h MET 132 N 0.37 0.33 -0.31 0.04 4.05 -0.85 -1.53 114.93 117.03 1k6s h MET 132 Ca 0.04 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1k6s h MET 132 Cb 0.85 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.57 1k6s h MET 132 CO 0.07 0.40 0.14 0.37 0.23 0.00 0.00 176.91 178.13 1k6s h GLN 133 N 0.19 0.29 -0.38 0.39 5.75 -0.70 -2.01 115.11 118.65 1k6s h GLN 133 Ca 0.07 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.62 1k6s h GLN 133 Cb 0.20 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 1k6s h GLN 133 CO -0.00 0.20 0.03 -0.22 -2.65 0.00 0.00 178.83 176.18 1k6s h LYS 134 N 0.30 0.14 -0.29 1.69 3.64 -1.05 -2.49 116.57 118.52 1k6s h LYS 134 Ca 0.13 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 1k6s h LYS 134 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1k6s h LYS 134 CO -0.10 0.09 -0.41 1.88 -2.27 0.00 0.00 179.45 178.64 1k6s h TYR 135 N 0.14 0.84 0.00 1.91 0.05 -1.06 -2.13 116.97 116.72 1k6s h TYR 135 Ca 0.19 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1k6s h TYR 135 Cb 0.25 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1k6s h TYR 135 CO -0.23 1.00 -0.17 -0.07 -1.05 0.00 0.00 178.16 177.63 1k6s h LEU 136 N 0.57 0.00 -0.06 3.88 3.38 -1.17 0.18 115.31 122.09 1k6s h LEU 136 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1k6s h LEU 136 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1k6s h LEU 136 CO 0.09 0.17 -0.20 0.11 0.09 0.00 0.00 178.44 178.70 1k6s h LYS 137 N 0.00 0.24 -0.43 1.13 1.57 -1.24 -1.23 116.57 116.62 1k6s h LYS 137 Ca -0.00 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1k6s h LYS 137 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1k6s h LYS 137 CO 0.02 0.81 0.14 0.87 -0.57 0.00 0.00 179.45 180.72 1k6s h LYS 138 N -0.28 0.63 -0.01 3.15 1.57 -0.71 -2.14 116.57 118.78 1k6s h LYS 138 Ca -0.01 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1k6s h LYS 138 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1k6s h LYS 138 CO 0.04 0.55 -0.07 1.19 -0.57 0.00 0.00 179.45 180.59 1k6s n PHE 139 N -4.34 0.00 -3.97 -1.35 3.72 0.57 -4.74 117.46 107.35 1k6s n PHE 139 Ca 0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.16 1k6s n PHE 139 Cb 0.17 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1k6s n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1k6s n SER 140 N -0.73 -0.86 -4.48 4.37 7.64 -0.69 -4.86 113.62 114.01 1k6s n SER 140 Ca 0.17 -0.99 -0.43 0.00 1.01 0.00 0.00 58.87 58.64 1k6s n SER 140 Cb 0.26 -3.11 -0.03 0.00 -1.01 0.00 0.00 64.21 60.32 1k6s n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k6s s TYR 141 N -3.85 2.76 0.00 1.43 5.04 -0.55 -4.97 117.35 117.21 1k6s s TYR 141 Ca 0.11 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.90 1k6s s TYR 141 Cb -0.06 -4.40 0.00 0.00 0.35 0.00 0.00 41.96 37.85 1k6s s TYR 141 CO 0.89 -1.69 0.00 0.41 -1.34 0.00 0.00 175.55 173.81 1k6s n GLY 142 N 5.67 1.80 0.00 8.97 0.00 -1.26 -1.91 105.19 118.46 1k6s n GLY 142 Ca 0.13 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.44 0.00 -2.08 1.61 0.23 0.28 -4.89 115.26 108.97 1k6s n ASN 143 Ca 0.00 -0.59 -0.17 0.00 -0.53 0.00 0.00 54.58 53.29 1k6s n ASN 143 Cb 0.00 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 37.58 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 -1.08 -1.73 -3.25 -3.83 6.02 -0.81 -4.93 117.38 107.77 1k6s n GLN 144 Ca 0.17 0.89 -0.43 0.00 -0.01 0.00 0.00 57.00 57.62 1k6s n GLN 144 Cb 0.12 -5.40 -0.08 0.00 1.02 0.00 0.00 30.24 25.90 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 -2.19 6.22 -0.07 1.08 3.04 -1.26 -4.92 114.94 116.84 1k6s s ASN 145 Ca 0.00 -0.72 0.16 0.00 0.04 0.00 0.00 52.86 52.34 1k6s s ASN 145 Cb 0.00 -2.25 0.54 0.00 -1.54 0.00 0.00 41.25 38.00 1k6s s ASN 145 CO 0.00 -0.69 1.46 2.30 -3.04 0.00 0.00 177.10 177.13 1k6s n ILE 146 N 5.53 1.51 -1.15 -5.21 -5.35 -1.26 -2.41 119.36 111.03 1k6s n ILE 146 Ca -0.07 -1.22 -0.31 0.00 -0.27 0.00 0.00 62.75 60.89 1k6s n ILE 146 Cb 0.47 0.24 0.11 0.00 -1.74 0.00 0.00 39.64 38.72 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 -1.12 4.06 0.00 7.28 1.04 -1.26 -4.31 113.70 119.38 1k6s s SER 147 Ca 0.40 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1k6s s SER 147 Cb 0.25 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1k6s s SER 147 CO 0.20 -2.32 0.00 0.61 0.98 0.00 0.00 173.24 172.71 1k6s n GLY 148 N -0.94 0.62 0.00 7.32 0.00 -1.26 -4.00 105.19 106.94 1k6s n GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.71 3.47 0.32 -0.02 0.00 -1.26 -4.76 105.19 101.23 1k6s n GLY 149 Ca 0.00 -0.85 0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 0.16 -0.44 -0.61 6.09 -1.93 -2.22 117.51 118.56 1k6s h ILE 150 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1k6s h ILE 150 Cb 0.00 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.33 1k6s h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 1k6s n ASP 151 N -3.30 4.14 0.00 2.19 5.75 -1.26 -4.54 116.55 119.54 1k6s n ASP 151 Ca -0.03 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1k6s n ASP 151 Cb 0.09 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 0.37 0.00 0.25 0.11 2.85 -0.90 -4.80 118.16 116.04 1k6s n LYS 152 Ca 0.21 -0.10 0.08 0.00 -1.05 0.00 0.00 58.31 57.45 1k6s n LYS 152 Cb 0.82 -0.13 0.63 0.00 -0.65 0.00 0.00 35.03 35.70 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 -1.67 -0.34 116.94 115.36 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 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 1k6s h PHE 153 CO 0.00 0.07 -0.22 -2.67 -2.00 0.00 0.00 178.31 173.49 1k6s n TRP 154 N -4.35 0.00 -0.10 6.09 2.14 -1.26 -1.68 117.44 118.29 1k6s n TRP 154 Ca -0.03 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.42 1k6s n TRP 154 Cb 0.15 -0.19 -0.10 0.00 -0.81 0.00 0.00 31.31 30.36 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 -0.97 2.46 0.00 5.67 4.77 -0.53 -1.29 117.00 127.11 1k6s n LEU 155 Ca 0.12 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1k6s n LEU 155 Cb 0.32 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1k6s n LEU 155 CO 0.26 0.76 0.16 -1.84 -1.33 0.00 0.00 177.39 175.40 1k6s n GLU 156 N -2.99 0.00 0.00 3.23 0.28 -0.25 -4.94 120.64 115.97 1k6s n GLU 156 Ca -0.33 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.35 1k6s n GLU 156 Cb 0.90 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.44 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 0.94 0.88 -1.84 0.00 -0.68 -4.97 105.19 99.52 1k6s n GLY 157 Ca 0.00 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 2.01 -2.04 1.61 6.02 -1.25 -4.95 117.38 118.77 1k6s n GLN 158 Ca 0.00 -1.88 -0.42 0.00 -0.01 0.00 0.00 57.00 54.70 1k6s n GLN 158 Cb 0.00 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1k6s n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1k6s s LEU 159 N -1.52 4.39 0.01 1.08 2.96 -1.01 -4.74 118.68 119.84 1k6s s LEU 159 Ca 0.28 2.58 -0.00 0.00 -0.22 0.00 0.00 54.13 56.76 1k6s s LEU 159 Cb 0.18 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 1k6s s LEU 159 CO 0.26 -0.69 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.46 1k6s s ARG 160 N 0.13 0.14 -0.07 1.98 1.81 -1.26 -3.99 118.95 117.68 1k6s s ARG 160 Ca 0.62 -0.25 -0.16 0.00 -1.72 0.00 0.00 55.73 54.22 1k6s s ARG 160 Cb -0.41 0.05 0.03 0.00 -0.45 0.00 0.00 34.95 34.17 1k6s s ARG 160 CO 0.39 -0.02 0.37 -1.50 -0.68 0.00 0.00 175.30 173.86 1k6s s ILE 161 N -0.62 0.03 0.38 1.52 2.07 0.50 -0.55 121.20 124.53 1k6s s ILE 161 Ca -0.07 -0.23 0.03 0.00 -1.41 0.00 0.00 60.65 58.97 1k6s s ILE 161 Cb -0.04 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 1k6s s ILE 161 CO -0.00 -0.13 0.57 -0.94 -1.91 0.00 0.00 174.94 172.53 1k6s s SER 162 N -0.65 5.97 0.27 4.50 1.04 -1.26 -1.02 113.70 122.55 1k6s s SER 162 Ca -0.07 0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1k6s s SER 162 Cb -0.04 -1.53 0.34 0.00 0.10 0.00 0.00 66.02 64.89 1k6s s SER 162 CO 0.03 -0.52 1.93 0.00 0.98 0.00 0.00 173.24 175.67 1k6s h ALA 163 N 0.66 1.34 -0.46 5.32 0.00 -1.69 0.10 119.26 124.53 1k6s h ALA 163 Ca -0.47 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1k6s h ALA 163 Cb 1.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1k6s h ALA 163 CO 0.57 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.67 1k6s h VAL 164 N 1.27 1.26 -0.40 0.00 2.07 -1.72 -1.75 116.25 116.98 1k6s h VAL 164 Ca 0.36 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1k6s h VAL 164 Cb -0.09 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1k6s h VAL 164 CO -0.09 0.38 -0.04 -1.13 0.02 0.00 0.00 177.57 176.71 1k6s h ASN 165 N 0.67 0.63 -0.48 0.57 -0.00 -1.67 -2.00 115.58 113.30 1k6s h ASN 165 Ca 0.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 1k6s h ASN 165 Cb 0.53 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.66 1k6s h ASN 165 CO 0.03 0.73 0.28 1.56 -0.00 0.00 0.00 177.43 180.02 1k6s h GLN 166 N 0.62 0.65 -0.70 6.67 1.08 -0.40 -1.23 115.11 121.80 1k6s h GLN 166 Ca 0.12 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1k6s h GLN 166 Cb 0.44 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1k6s h GLN 166 CO 0.02 0.49 0.29 0.28 -0.95 0.00 0.00 178.83 178.97 1k6s h VAL 167 N 0.63 1.24 -0.60 -0.54 2.07 -0.88 -0.47 116.25 117.71 1k6s h VAL 167 Ca 0.17 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1k6s h VAL 167 Cb 0.01 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1k6s h VAL 167 CO -0.03 0.30 0.30 -0.33 0.02 0.00 0.00 177.57 177.83 1k6s h GLU 168 N 0.99 0.85 -0.16 1.57 5.08 -1.16 0.20 114.58 121.94 1k6s h GLU 168 Ca 0.23 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1k6s h GLU 168 Cb 0.19 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1k6s h GLU 168 CO -0.02 0.68 0.09 0.35 -1.00 0.00 0.00 179.01 179.10 1k6s h PHE 169 N 0.81 0.23 -0.41 4.33 3.57 -0.85 -1.97 116.94 122.63 1k6s h PHE 169 Ca 0.21 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1k6s h PHE 169 Cb 0.10 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1k6s h PHE 169 CO -0.00 0.23 0.01 -0.07 -2.23 0.00 0.00 178.31 176.26 1k6s h LEU 170 N 0.16 0.62 -0.47 0.59 3.38 -0.87 -1.96 115.31 116.76 1k6s h LEU 170 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1k6s h LEU 170 Cb 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1k6s h LEU 170 CO -0.01 0.68 0.16 -0.08 0.09 0.00 0.00 178.44 179.28 1k6s h GLU 171 N 0.63 0.73 -0.79 1.13 4.81 -0.70 0.68 114.58 121.07 1k6s h GLU 171 Ca 0.13 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1k6s h GLU 171 Cb 0.37 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1k6s h GLU 171 CO 0.01 0.69 0.52 0.77 -0.73 0.00 0.00 179.01 180.27 1k6s h SER 172 N 0.63 0.90 0.24 1.04 0.02 -1.03 -0.44 113.55 114.91 1k6s h SER 172 Ca 0.15 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1k6s h SER 172 Cb 0.26 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1k6s h SER 172 CO -0.01 0.65 -0.13 0.25 -1.14 0.00 0.00 176.83 176.45 1k6s h LEU 173 N 1.06 -0.32 -0.72 5.07 5.85 -0.87 0.63 115.31 126.01 1k6s h LEU 173 Ca 0.29 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.15 1k6s h LEU 173 Cb -0.12 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.91 1k6s h LEU 173 CO -0.06 -0.22 0.29 0.22 -0.34 0.00 0.00 178.44 178.33 1k6s h TYR 174 N -0.35 0.50 -0.06 1.25 3.20 -0.50 0.56 116.97 121.57 1k6s h TYR 174 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1k6s h TYR 174 Cb 0.28 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1k6s h TYR 174 CO -0.07 0.09 0.00 1.28 -1.64 0.00 0.00 178.16 177.82 1k6s n LEU 175 N -4.99 0.59 -2.82 2.82 4.77 -0.21 -4.89 117.00 112.27 1k6s n LEU 175 Ca 0.13 -0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1k6s n LEU 175 Cb 0.37 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1k6s n LEU 175 CO 0.20 0.12 -0.09 0.59 -1.33 0.00 0.00 177.39 176.88 1k6s n ASN 176 N -0.40 -5.97 -0.73 -1.43 3.02 0.19 -4.90 115.26 105.04 1k6s n ASN 176 Ca 0.15 -0.19 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1k6s n ASN 176 Cb 0.16 -4.87 0.20 0.00 -0.61 0.00 0.00 39.78 34.66 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 -3.68 1.91 -1.45 3.52 4.76 0.20 -4.88 118.16 118.54 1k6s n LYS 177 Ca -0.16 -1.47 -0.31 0.00 -2.87 0.00 0.00 58.31 53.51 1k6s n LYS 177 Cb 0.64 -1.47 0.07 0.00 -1.84 0.00 0.00 35.03 32.43 1k6s n LYS 177 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k6s s LEU 178 N -2.11 3.11 -1.23 -0.35 1.43 -1.24 -4.89 118.68 113.41 1k6s s LEU 178 Ca 0.29 1.75 -0.20 0.00 -1.03 0.00 0.00 54.13 54.94 1k6s s LEU 178 Cb 0.20 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.94 1k6s s LEU 178 CO 0.36 -1.74 1.75 -0.44 0.23 0.00 0.00 176.35 176.52 1k6s s SER 179 N -3.49 6.37 -0.01 2.29 0.01 -1.26 -4.79 113.70 112.82 1k6s s SER 179 Ca 0.60 -2.10 -0.29 0.00 1.31 0.00 0.00 55.95 55.47 1k6s s SER 179 Cb -0.16 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.59 1k6s s SER 179 CO 0.54 -1.66 1.02 0.00 0.41 0.00 0.00 173.24 173.55 1k6s s ALA 180 N 5.91 -1.89 0.62 1.44 0.00 -1.26 -5.04 121.76 121.55 1k6s s ALA 180 Ca 0.56 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 53.23 1k6s s ALA 180 Cb 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1k6s s ALA 180 CO 0.06 -0.80 1.23 -1.54 0.00 0.00 0.00 175.76 174.71 1k6s s SER 181 N -2.59 4.94 0.30 0.00 1.04 -1.26 -4.89 113.70 111.23 1k6s s SER 181 Ca 0.09 2.43 0.02 0.00 0.48 0.00 0.00 55.95 58.97 1k6s s SER 181 Cb -0.00 -2.60 0.47 0.00 0.10 0.00 0.00 66.02 63.98 1k6s s SER 181 CO -0.05 -1.77 1.80 0.50 0.98 0.00 0.00 173.24 174.70 1k6s h LYS 182 N 0.65 0.60 -0.13 4.02 3.64 -1.94 -2.28 116.57 121.13 1k6s h LYS 182 Ca -0.50 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 58.76 1k6s h LYS 182 Cb 1.31 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1k6s h LYS 182 CO 0.54 0.67 -0.24 1.49 -2.27 0.00 0.00 179.45 179.64 1k6s h GLU 183 N 0.56 -0.29 -0.14 1.90 4.81 -1.99 0.29 114.58 119.72 1k6s h GLU 183 Ca 0.11 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1k6s h GLU 183 Cb 0.45 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1k6s h GLU 183 CO 0.02 -0.19 -0.29 -0.91 -0.73 0.00 0.00 179.01 176.91 1k6s h ASN 184 N -0.30 0.27 -0.11 1.04 2.35 -1.86 -0.81 115.58 116.16 1k6s h ASN 184 Ca 0.10 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 1k6s h ASN 184 Cb 0.45 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1k6s h ASN 184 CO -0.30 0.56 -0.54 1.56 -1.65 0.00 0.00 177.43 177.06 1k6s h GLN 185 N 0.24 0.69 -0.64 0.81 4.20 -0.84 -2.38 115.11 117.19 1k6s h GLN 185 Ca 0.03 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 1k6s h GLN 185 Cb 0.64 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1k6s h GLN 185 CO 0.05 1.05 0.24 -0.07 -0.67 0.00 0.00 178.83 179.43 1k6s h LEU 186 N 0.53 0.90 -0.22 1.46 3.38 0.01 -0.02 115.31 121.35 1k6s h LEU 186 Ca 0.01 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1k6s h LEU 186 Cb 1.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1k6s h LEU 186 CO 0.11 0.84 0.08 0.40 0.09 0.00 0.00 178.44 179.96 1k6s h ILE 187 N 0.91 0.94 -0.34 1.22 2.04 -1.03 -1.68 117.51 119.58 1k6s h ILE 187 Ca 0.21 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 65.88 1k6s h ILE 187 Cb 0.24 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1k6s h ILE 187 CO -0.01 0.03 -0.32 0.58 0.00 0.00 0.00 178.15 178.43 1k6s h VAL 188 N 0.18 1.28 -0.74 1.67 2.07 -1.26 -2.47 116.25 116.98 1k6s h VAL 188 Ca 0.10 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1k6s h VAL 188 Cb 0.06 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1k6s h VAL 188 CO -0.10 0.48 0.48 0.11 0.02 0.00 0.00 177.57 178.56 1k6s h LYS 189 N 0.62 0.94 -0.37 1.57 1.57 -0.64 -1.95 116.57 118.31 1k6s h LYS 189 Ca 0.07 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1k6s h LYS 189 Cb 0.84 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1k6s h LYS 189 CO 0.07 0.62 -0.25 1.49 -0.57 0.00 0.00 179.45 180.81 1k6s h GLU 190 N 0.96 0.75 0.00 3.15 4.81 -1.16 -2.12 114.58 120.97 1k6s h GLU 190 Ca 0.28 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1k6s h GLU 190 Cb -0.07 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1k6s h GLU 190 CO -0.08 0.92 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 1k6s h ALA 191 N 1.07 1.00 -0.01 2.92 0.00 -0.94 -2.10 119.26 121.20 1k6s h ALA 191 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k6s h ALA 191 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1k6s h ALA 191 CO 0.06 0.00 -0.35 1.28 0.00 0.00 0.00 179.25 180.24 1k6s n LEU 192 N -2.91 1.26 -4.70 0.00 4.77 -0.79 -4.75 117.00 109.88 1k6s n LEU 192 Ca -0.02 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 1k6s n LEU 192 Cb 0.11 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1k6s n LEU 192 CO 0.19 0.24 1.36 -0.69 -1.33 0.00 0.00 177.39 177.16 1k6s s VAL 193 N -2.54 2.69 0.00 4.08 1.01 -0.79 -0.91 120.40 123.94 1k6s s VAL 193 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1k6s s VAL 193 Cb 0.19 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1k6s s VAL 193 CO 0.55 0.01 0.00 0.35 0.00 0.00 0.00 175.10 176.01 1k6s n THR 194 N 4.49 0.00 -3.68 3.92 -2.24 0.95 -4.90 114.28 112.82 1k6s n THR 194 Ca 0.16 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1k6s n THR 194 Cb 0.39 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.97 0.49 -0.04 -0.78 2.12 -1.12 -5.00 118.70 113.39 1k6s s GLU 195 Ca 0.00 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.26 1k6s s GLU 195 Cb 0.00 0.04 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 1k6s s GLU 195 CO 0.00 -0.15 -0.16 0.00 -0.54 0.00 0.00 175.26 174.41 1k6s s ALA 196 N 1.35 1.40 0.08 6.30 0.00 -1.26 -0.24 121.76 129.39 1k6s s ALA 196 Ca -0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1k6s s ALA 196 Cb -0.07 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 1k6s s ALA 196 CO -0.13 0.27 0.18 0.00 0.00 0.00 0.00 175.76 176.08 1k6s s ALA 197 N -0.01 -0.20 0.23 0.00 0.00 -0.14 -5.03 121.76 116.61 1k6s s ALA 197 Ca -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1k6s s ALA 197 Cb -0.10 0.46 0.39 0.00 0.00 0.00 0.00 23.12 23.87 1k6s s ALA 197 CO 0.01 -0.49 1.72 -1.35 0.00 0.00 0.00 175.76 175.65 1k6s h PRO 198 N 2.82 0.36 0.00 0.00 0.11 -2.02 -2.78 132.00 130.49 1k6s h PRO 198 Ca -0.34 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 1k6s h PRO 198 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1k6s h PRO 198 CO 0.56 0.24 -0.84 1.05 -0.21 0.00 0.00 178.00 178.80 1k6s h GLU 199 N 0.37 0.00 -3.65 1.05 4.11 -1.97 -3.49 114.58 111.00 1k6s h GLU 199 Ca 0.37 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.74 1k6s h GLU 199 Cb 0.56 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 1k6s h GLU 199 CO -0.40 0.47 -0.17 1.52 0.07 0.00 0.00 179.01 180.50 1k6s s TYR 200 N -2.93 0.23 -0.02 2.06 -0.85 -1.05 -2.66 117.35 112.13 1k6s s TYR 200 Ca 0.01 -0.59 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1k6s s TYR 200 Cb 0.08 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.56 1k6s s TYR 200 CO 0.77 -0.84 -0.11 -1.17 -1.52 0.00 0.00 175.55 172.68 1k6s s LEU 201 N -2.95 1.87 -0.16 -3.49 2.96 -0.80 -0.96 118.68 115.15 1k6s s LEU 201 Ca 0.16 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1k6s s LEU 201 Cb 0.01 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 46.08 1k6s s LEU 201 CO 0.01 0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 1k6s s VAL 202 N 0.05 2.60 -0.18 1.68 1.01 0.67 -1.23 120.40 125.01 1k6s s VAL 202 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1k6s s VAL 202 Cb -0.08 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1k6s s VAL 202 CO 0.00 0.52 -0.06 -1.00 0.00 0.00 0.00 175.10 174.56 1k6s s HIS 203 N 0.87 2.95 0.26 5.22 3.76 -0.71 -0.04 115.29 127.60 1k6s s HIS 203 Ca -0.04 -0.62 -0.20 0.00 -0.15 0.00 0.00 55.06 54.05 1k6s s HIS 203 Cb -0.15 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.57 1k6s s HIS 203 CO -0.01 -0.28 0.66 -1.54 -0.85 0.00 0.00 174.74 172.72 1k6s s SER 204 N 0.81 -0.27 -0.15 1.40 1.04 -0.08 -0.83 113.70 115.62 1k6s s SER 204 Ca -0.02 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.74 1k6s s SER 204 Cb -0.15 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.71 1k6s s SER 204 CO 0.01 -1.26 0.36 -0.75 0.98 0.00 0.00 173.24 172.59 1k6s s LYS 205 N -3.91 0.35 0.42 4.02 2.47 -0.13 -4.79 119.74 118.17 1k6s s LYS 205 Ca 0.11 0.68 0.01 0.00 -1.56 0.00 0.00 55.97 55.22 1k6s s LYS 205 Cb -0.04 -0.01 -0.01 0.00 -1.46 0.00 0.00 37.83 36.30 1k6s s LYS 205 CO 0.04 -0.14 0.63 0.95 0.16 0.00 0.00 175.35 176.99 1k6s s THR 206 N 1.18 4.18 -0.04 3.43 -4.23 -1.26 -1.93 115.64 116.97 1k6s s THR 206 Ca -0.08 -0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.68 1k6s s THR 206 Cb -0.08 -3.53 0.04 0.00 1.34 0.00 0.00 72.50 70.27 1k6s s THR 206 CO -0.10 -0.35 0.47 -0.83 -0.54 0.00 0.00 174.62 173.27 1k6s s GLY 207 N -4.18 -0.34 -0.22 3.99 0.00 -0.73 -3.97 107.32 101.87 1k6s s GLY 207 Ca 0.47 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.95 1k6s s GLY 207 CO 0.37 0.55 0.41 -0.12 0.00 0.00 0.00 173.10 174.31 1k6s s PHE 208 N -1.12 -0.83 -0.41 1.90 5.36 -1.26 0.20 117.98 121.80 1k6s s PHE 208 Ca -0.11 1.30 0.23 0.00 -0.96 0.00 0.00 56.93 57.39 1k6s s PHE 208 Cb -0.03 0.22 0.28 0.00 -0.34 0.00 0.00 43.02 43.15 1k6s s PHE 208 CO 0.06 -0.57 1.47 0.66 -1.46 0.00 0.00 175.22 175.37 1k6s h SER 209 N 8.17 0.00 -4.58 6.13 4.64 -1.51 -3.43 113.55 122.98 1k6s h SER 209 Ca -0.17 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1k6s h SER 209 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1k6s h SER 209 CO 0.18 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1k6s n GLY 210 N 1.14 0.61 0.26 -0.77 0.00 -1.26 -4.82 105.19 100.35 1k6s n GLY 210 Ca 0.03 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 3.01 0.00 -4.43 1.61 0.24 -1.26 -3.92 118.33 113.58 1k6s n VAL 211 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1k6s n VAL 211 Cb 0.00 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 1.29 -0.26 3.45 7.63 0.00 -1.26 -3.18 105.19 112.87 1k6s n GLY 212 Ca 0.14 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1k6s n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k6s s THR 213 N 0.00 0.60 0.16 2.61 -4.23 0.26 -4.87 115.64 110.16 1k6s s THR 213 Ca 0.00 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.17 1k6s s THR 213 Cb 0.00 -2.46 -0.15 0.00 1.34 0.00 0.00 72.50 71.24 1k6s s THR 213 CO 0.00 0.00 1.46 1.21 -0.54 0.00 0.00 174.62 176.75 1k6s n GLU 214 N -0.79 1.81 -0.78 3.99 2.13 -1.26 -0.24 120.64 125.49 1k6s n GLU 214 Ca -0.03 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1k6s n GLU 214 Cb 0.65 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 30.01 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 2.88 -1.31 -3.39 4.31 7.64 -1.26 -4.88 113.62 117.61 1k6s n SER 215 Ca 0.16 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.77 1k6s n SER 215 Cb 0.26 -1.70 -0.10 0.00 -1.01 0.00 0.00 64.21 61.66 1k6s n SER 215 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1k6s s ASN 216 N -2.29 1.41 0.75 6.43 3.84 0.67 -5.14 114.94 120.61 1k6s s ASN 216 Ca 0.00 -3.03 -0.14 0.00 0.21 0.00 0.00 52.86 49.90 1k6s s ASN 216 Cb 0.00 -0.40 0.05 0.00 -0.55 0.00 0.00 41.25 40.35 1k6s s ASN 216 CO 0.00 -0.17 1.18 -2.16 -2.79 0.00 0.00 177.10 173.16 1k6s s PRO 217 N 0.10 2.04 0.63 0.43 0.04 -1.25 -0.57 135.00 136.42 1k6s s PRO 217 Ca 0.32 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1k6s s PRO 217 Cb 0.03 -1.83 0.15 0.00 0.04 0.00 0.00 34.50 32.89 1k6s s PRO 217 CO -0.19 -1.89 0.86 0.41 0.04 0.00 0.00 177.00 176.22 1k6s n GLY 218 N 0.21 -1.35 3.17 0.56 0.00 0.06 -4.72 105.19 103.12 1k6s n GLY 218 Ca 0.13 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.87 1.23 -0.03 1.61 0.11 -1.26 -1.07 120.40 118.12 1k6s s VAL 219 Ca 0.49 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1k6s s VAL 219 Cb -0.01 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1k6s s VAL 219 CO 0.34 -0.03 -0.18 0.00 -3.33 0.00 0.00 175.10 171.90 1k6s s ALA 220 N -0.97 1.51 0.26 1.54 0.00 -0.50 -1.18 121.76 122.42 1k6s s ALA 220 Ca 0.02 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1k6s s ALA 220 Cb -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1k6s s ALA 220 CO 0.02 0.32 -0.08 -1.58 0.00 0.00 0.00 175.76 174.44 1k6s s TRP 221 N -0.21 1.88 -0.30 0.00 0.52 0.13 -1.34 118.94 119.63 1k6s s TRP 221 Ca 0.02 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.48 1k6s s TRP 221 Cb -0.09 -1.01 0.19 0.00 -1.15 0.00 0.00 33.47 31.40 1k6s s TRP 221 CO 0.01 0.30 0.59 -0.46 0.02 0.00 0.00 176.95 177.41 1k6s s TRP 222 N -3.00 -1.62 0.17 -1.98 -0.00 -0.51 -1.77 118.94 110.23 1k6s s TRP 222 Ca 0.28 1.58 0.06 0.00 -0.00 0.00 0.00 56.10 58.01 1k6s s TRP 222 Cb 0.02 0.50 -0.05 0.00 -0.00 0.00 0.00 33.47 33.95 1k6s s TRP 222 CO 0.10 -0.91 -0.12 0.14 -0.00 0.00 0.00 176.95 176.16 1k6s s VAL 223 N 2.84 1.44 -5.00 5.86 -7.23 -0.81 -1.19 120.40 116.31 1k6s s VAL 223 Ca 0.19 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1k6s s VAL 223 Cb -0.14 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1k6s s VAL 223 CO -0.22 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 1k6s n GLY 224 N -0.27 -0.39 3.28 2.32 0.00 -0.63 -0.96 105.19 108.54 1k6s n GLY 224 Ca -0.09 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.00 -0.14 -0.14 1.61 -2.14 -0.01 -0.53 118.94 114.59 1k6s s TRP 225 Ca 0.00 -0.01 0.01 0.00 2.66 0.00 0.00 56.10 58.75 1k6s s TRP 225 Cb 0.00 0.14 -0.00 0.00 -3.10 0.00 0.00 33.47 30.50 1k6s s TRP 225 CO 0.00 -0.55 -0.16 0.08 -2.66 0.00 0.00 176.95 173.66 1k6s s VAL 226 N -2.80 2.64 -0.68 -0.66 1.01 0.28 -1.74 120.40 118.45 1k6s s VAL 226 Ca -0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1k6s s VAL 226 Cb -0.00 -2.10 0.18 0.00 0.00 0.00 0.00 36.38 34.46 1k6s s VAL 226 CO -0.05 0.52 0.58 -1.61 0.00 0.00 0.00 175.10 174.55 1k6s s GLU 227 N 0.65 3.07 -0.09 2.72 2.02 -0.36 -0.35 118.70 126.36 1k6s s GLU 227 Ca -0.08 -2.29 0.02 0.00 0.02 0.00 0.00 54.97 52.64 1k6s s GLU 227 Cb -0.16 -4.14 -0.02 0.00 0.10 0.00 0.00 34.13 29.91 1k6s s GLU 227 CO 0.02 -1.25 -0.16 0.21 0.02 0.00 0.00 175.26 174.11 1k6s s LYS 228 N 0.44 2.96 5.56 1.61 2.20 -0.74 -1.91 119.74 129.87 1k6s s LYS 228 Ca 0.14 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 1k6s s LYS 228 Cb -0.18 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1k6s s LYS 228 CO -0.05 0.37 0.00 0.39 -0.36 0.00 0.00 175.35 175.70 1k6s n GLU 229 N 3.05 0.00 -0.30 4.03 -0.58 -1.09 -0.48 120.64 125.27 1k6s n GLU 229 Ca -0.18 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1k6s n GLU 229 Cb 0.52 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.64 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 1.08 -3.85 2.62 -2.24 -1.26 -4.97 114.28 105.66 1k6s n THR 230 Ca 0.00 -1.03 -0.21 0.00 -2.27 0.00 0.00 64.05 60.54 1k6s n THR 230 Cb 0.00 0.46 -0.03 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 -1.09 2.89 -0.01 -0.78 2.56 0.37 -5.11 118.70 117.53 1k6s s GLU 231 Ca 0.37 -1.15 0.01 0.00 0.00 0.00 0.00 54.97 54.21 1k6s s GLU 231 Cb 0.20 -2.58 -0.00 0.00 2.00 0.00 0.00 34.13 33.75 1k6s s GLU 231 CO 0.24 0.20 -0.05 0.54 -0.56 0.00 0.00 175.26 175.63 1k6s s VAL 232 N -2.22 0.39 -0.09 3.70 0.11 -1.26 -1.79 120.40 119.24 1k6s s VAL 232 Ca 0.39 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1k6s s VAL 232 Cb -0.07 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1k6s s VAL 232 CO 0.27 0.11 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.68 1k6s s TYR 233 N -0.06 1.94 -0.15 1.54 2.02 0.52 -0.27 117.35 122.89 1k6s s TYR 233 Ca 0.01 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 55.86 1k6s s TYR 233 Cb -0.03 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1k6s s TYR 233 CO -0.00 -0.38 0.01 -0.06 -1.57 0.00 0.00 175.55 173.55 1k6s s PHE 234 N 0.67 3.14 0.09 2.71 0.08 -0.22 0.10 117.98 124.55 1k6s s PHE 234 Ca -0.13 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1k6s s PHE 234 Cb -0.16 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 1k6s s PHE 234 CO 0.04 0.14 -0.08 -0.59 -0.10 0.00 0.00 175.22 174.63 1k6s s PHE 235 N 0.10 0.92 -0.21 0.36 -0.71 0.31 -0.96 117.98 117.79 1k6s s PHE 235 Ca 0.02 -0.78 -0.11 0.00 -1.04 0.00 0.00 56.93 55.02 1k6s s PHE 235 Cb -0.13 -0.52 0.07 0.00 -1.21 0.00 0.00 43.02 41.23 1k6s s PHE 235 CO 0.02 -0.09 0.49 0.00 -1.34 0.00 0.00 175.22 174.30 1k6s s ALA 236 N -2.99 -1.31 -0.01 1.99 0.00 -0.33 -1.60 121.76 117.52 1k6s s ALA 236 Ca 0.07 1.78 0.02 0.00 0.00 0.00 0.00 51.96 53.84 1k6s s ALA 236 Cb 0.01 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 1k6s s ALA 236 CO -0.02 -0.37 -0.06 0.12 0.00 0.00 0.00 175.76 175.42 1k6s s PHE 237 N 1.65 0.57 0.04 0.00 2.19 -0.33 -0.25 117.98 121.87 1k6s s PHE 237 Ca -0.09 -0.11 -0.10 0.00 0.33 0.00 0.00 56.93 56.97 1k6s s PHE 237 Cb -0.08 -0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.26 1k6s s PHE 237 CO -0.15 -0.01 0.20 0.54 1.83 0.00 0.00 175.22 177.63 1k6s s ASN 238 N -0.12 0.03 0.04 6.13 2.20 -0.81 -1.42 114.94 120.99 1k6s s ASN 238 Ca 0.02 -0.38 -0.16 0.00 -0.94 0.00 0.00 52.86 51.40 1k6s s ASN 238 Cb -0.03 0.30 0.03 0.00 -2.00 0.00 0.00 41.25 39.55 1k6s s ASN 238 CO -0.00 -0.58 0.35 0.00 -2.94 0.00 0.00 177.10 173.93 1k6s s MET 239 N -2.69 0.86 0.34 3.55 0.23 -0.45 -1.03 119.30 120.11 1k6s s MET 239 Ca -0.04 -0.44 -0.26 0.00 -1.03 0.00 0.00 55.69 53.92 1k6s s MET 239 Cb -0.00 0.38 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 1k6s s MET 239 CO -0.05 -0.29 1.03 -0.51 -2.03 0.00 0.00 175.02 173.18 1k6s s ASP 240 N -2.04 7.07 -0.15 -1.18 1.01 -0.21 -1.41 116.67 119.76 1k6s s ASP 240 Ca -0.05 2.05 -0.10 0.00 0.71 0.00 0.00 52.55 55.16 1k6s s ASP 240 Cb -0.01 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.37 1k6s s ASP 240 CO -0.03 -0.27 0.38 -0.51 0.21 0.00 0.00 175.17 174.95 1k6s s ILE 241 N -1.48 -0.02 -0.03 0.77 2.07 -0.23 -4.69 121.20 117.59 1k6s s ILE 241 Ca 0.52 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.87 1k6s s ILE 241 Cb -0.24 -0.55 0.06 0.00 0.13 0.00 0.00 42.46 41.86 1k6s s ILE 241 CO 0.31 0.03 0.90 -0.90 -1.91 0.00 0.00 174.94 173.37 1k6s n ASP 242 N 3.83 1.19 -3.51 4.50 5.68 -1.26 -0.76 116.55 126.22 1k6s n ASP 242 Ca -0.20 -1.98 -0.07 0.00 -0.50 0.00 0.00 54.79 52.04 1k6s n ASP 242 Cb 0.56 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.33 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 -1.15 -0.29 0.62 -1.12 3.84 -1.26 -4.88 114.94 110.70 1k6s s ASN 243 Ca 0.07 0.79 0.27 0.00 0.21 0.00 0.00 52.86 54.19 1k6s s ASN 243 Cb 0.06 1.44 1.37 0.00 -0.55 0.00 0.00 41.25 43.58 1k6s s ASN 243 CO 0.01 -0.26 1.79 -0.08 -2.79 0.00 0.00 177.10 175.77 1k6s h GLU 244 N 8.14 0.00 0.00 0.43 4.81 -1.95 0.51 114.58 126.52 1k6s h GLU 244 Ca -0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1k6s h GLU 244 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1k6s h GLU 244 CO 0.18 0.00 -0.06 0.66 -0.73 0.00 0.00 179.01 179.06 1k6s h SER 245 N 0.00 0.00 0.52 1.04 4.64 -2.03 -2.06 113.55 115.66 1k6s h SER 245 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1k6s h SER 245 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1k6s h SER 245 CO -0.00 0.06 -0.10 0.29 -0.87 0.00 0.00 176.83 176.20 1k6s n LYS 246 N -3.27 0.45 -0.27 4.77 4.76 0.17 -4.31 118.16 120.46 1k6s n LYS 246 Ca -0.01 -0.12 0.08 0.00 -2.87 0.00 0.00 58.31 55.40 1k6s n LYS 246 Cb 0.25 -1.50 0.22 0.00 -1.84 0.00 0.00 35.03 32.16 1k6s n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k6s h LEU 247 N 0.29 0.01 -1.97 -0.35 5.85 -1.52 -1.25 115.31 116.37 1k6s h LEU 247 Ca 0.00 0.17 0.16 0.00 0.84 0.00 0.00 57.88 59.04 1k6s h LEU 247 Cb 0.38 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1k6s h LEU 247 CO 0.00 -0.08 0.49 -0.65 -0.34 0.00 0.00 178.44 177.86 1k6s h PRO 248 N 0.25 0.00 0.00 5.25 0.11 -1.83 -0.86 132.00 134.92 1k6s h PRO 248 Ca 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 1k6s h PRO 248 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1k6s h PRO 248 CO -0.57 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.09 1k6s h LEU 249 N 0.00 0.00 -2.28 2.35 3.38 -1.55 -1.96 115.31 115.25 1k6s h LEU 249 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1k6s h LEU 249 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1k6s h LEU 249 CO -0.00 0.06 -0.03 0.08 0.09 0.00 0.00 178.44 178.64 1k6s h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.32 -2.69 114.38 111.61 1k6s h ARG 250 Ca -0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.81 1k6s h ARG 250 Cb 0.18 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.21 1k6s h ARG 250 CO 0.01 0.03 -2.04 1.63 0.10 0.00 0.00 179.97 179.69 1k6s n LYS 251 N -3.24 0.46 -0.08 0.08 5.02 -0.83 -4.48 118.16 115.09 1k6s n LYS 251 Ca -0.02 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 1k6s n LYS 251 Cb 0.18 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.00 0.35 -0.13 4.39 4.64 -1.32 -0.42 113.55 121.05 1k6s h SER 252 Ca -0.41 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1k6s h SER 252 Cb 1.63 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1k6s h SER 252 CO -0.06 0.40 0.08 0.40 -0.87 0.00 0.00 176.83 176.77 1k6s h ILE 253 N 0.28 1.05 -0.53 0.95 2.04 -1.76 0.83 117.51 120.37 1k6s h ILE 253 Ca 0.09 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 1k6s h ILE 253 Cb 0.15 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1k6s h ILE 253 CO -0.01 0.05 -0.02 -0.65 0.00 0.00 0.00 178.15 177.52 1k6s h PRO 254 N 0.15 0.94 -0.59 2.37 0.11 -1.77 -1.78 132.00 131.42 1k6s h PRO 254 Ca 0.05 -0.31 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1k6s h PRO 254 Cb 0.01 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1k6s h PRO 254 CO -0.01 0.97 0.33 1.15 -0.21 0.00 0.00 178.00 180.23 1k6s h THR 255 N 0.81 1.19 -0.13 -1.15 2.02 -0.93 -0.07 112.91 114.65 1k6s h THR 255 Ca 0.15 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1k6s h THR 255 Cb 0.55 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1k6s h THR 255 CO 0.03 0.20 0.06 0.11 0.37 0.00 0.00 175.52 176.29 1k6s h LYS 256 N 0.80 0.13 -0.59 6.66 1.57 -0.65 0.53 116.57 125.02 1k6s h LYS 256 Ca 0.21 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1k6s h LYS 256 Cb 0.03 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1k6s h LYS 256 CO -0.03 0.09 0.37 0.82 -0.57 0.00 0.00 179.45 180.12 1k6s h ILE 257 N 0.13 1.08 0.00 1.86 2.04 -0.93 -1.09 117.51 120.60 1k6s h ILE 257 Ca 0.05 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1k6s h ILE 257 Cb 0.01 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1k6s h ILE 257 CO -0.04 0.13 -0.11 0.24 0.00 0.00 0.00 178.15 178.37 1k6s h MET 258 N 0.72 0.00 0.01 2.37 2.86 -0.77 -2.72 114.93 117.41 1k6s h MET 258 Ca 0.24 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.62 1k6s h MET 258 Cb 0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1k6s h MET 258 CO -0.09 0.11 -1.02 0.93 1.06 0.00 0.00 176.91 177.90 1k6s h GLU 259 N 0.00 0.56 0.00 1.72 5.08 -0.05 -0.08 114.58 121.82 1k6s h GLU 259 Ca -0.00 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1k6s h GLU 259 Cb 0.70 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1k6s h GLU 259 CO 0.01 1.24 0.00 0.66 -1.00 0.00 0.00 179.01 179.92 1k6s h SER 260 N 0.31 0.00 -0.02 1.42 4.64 -1.02 -0.95 113.55 117.93 1k6s h SER 260 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1k6s h SER 260 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1k6s h SER 260 CO 0.19 0.00 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.53 1k6s n GLU 261 N -2.34 2.06 -1.93 4.77 -0.58 -1.04 -4.94 120.64 116.62 1k6s n GLU 261 Ca 0.02 -1.53 -0.15 0.00 -0.42 0.00 0.00 57.16 55.08 1k6s n GLU 261 Cb 0.26 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.28 0.46 0.14 0.62 0.00 -0.36 -4.91 105.19 102.42 1k6s n GLY 262 Ca 0.16 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1k6s n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k6s h ILE 263 N 0.00 0.93 0.00 -0.61 2.04 -1.23 -3.49 117.51 115.15 1k6s h ILE 263 Ca -0.33 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1k6s h ILE 263 Cb 1.13 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1k6s h ILE 263 CO 0.42 0.85 0.00 2.30 0.00 0.00 0.00 178.15 181.72