#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr s THR 2 N 0.00 0.00 -0.01 2.61 -1.32 -1.26 -5.08 115.64 110.58 2krr s THR 2 Ca 0.00 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.28 2krr s THR 2 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 2krr s THR 2 CO 0.00 0.00 0.86 -0.33 -2.21 0.00 0.00 174.62 172.94 2krr h GLU 3 N 4.86 -0.71 -6.97 7.08 3.07 -2.05 -3.45 114.58 116.42 2krr h GLU 3 Ca -0.29 0.05 -0.51 0.00 -0.50 0.00 0.00 59.36 58.11 2krr h GLU 3 Cb 1.18 0.16 0.06 0.00 -0.84 0.00 0.00 28.75 29.31 2krr h GLU 3 CO 0.11 -0.47 0.50 -1.25 -1.40 0.00 0.00 179.01 176.50 2krr s PRO 4 N -3.95 3.89 -0.16 2.33 0.04 -1.26 -4.97 135.00 130.92 2krr s PRO 4 Ca -0.11 1.83 0.09 0.00 0.04 0.00 0.00 61.00 62.85 2krr s PRO 4 Cb 0.01 -2.54 -0.23 0.00 0.04 0.00 0.00 34.50 31.78 2krr s PRO 4 CO 0.32 -0.45 0.22 -2.37 0.04 0.00 0.00 177.00 174.76 2krr n THR 5 N -0.21 1.53 -4.47 1.26 5.66 -1.26 -4.99 114.28 111.80 2krr n THR 5 Ca 0.06 -0.75 -0.23 0.00 -3.05 0.00 0.00 64.05 60.08 2krr n THR 5 Cb 0.47 -1.01 -0.10 0.00 -1.55 0.00 0.00 70.33 68.14 2krr n THR 5 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2krr s THR 6 N -2.54 1.78 -0.21 1.09 -1.32 -1.26 -5.03 115.64 108.15 2krr s THR 6 Ca -0.15 -2.13 -0.01 0.00 -1.21 0.00 0.00 61.69 58.19 2krr s THR 6 Cb 0.07 -2.56 0.10 0.00 -1.51 0.00 0.00 72.50 68.60 2krr s THR 6 CO 0.77 -0.23 2.19 0.00 -2.21 0.00 0.00 174.62 175.14 2krr n ALA 7 N -0.67 4.99 -3.42 11.08 0.00 -1.26 -4.53 120.51 126.69 2krr n ALA 7 Ca -0.05 -1.29 -0.26 0.00 0.00 0.00 0.00 53.44 51.83 2krr n ALA 7 Cb 0.64 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 2krr n ALA 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2krr n PHE 8 N 0.89 0.46 -4.32 0.00 3.72 -1.26 -4.98 117.46 111.97 2krr n PHE 8 Ca 0.24 -3.65 -0.25 0.00 -0.05 0.00 0.00 57.45 53.74 2krr n PHE 8 Cb 0.57 -0.15 -0.13 0.00 -0.94 0.00 0.00 39.48 38.84 2krr n PHE 8 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2krr s ASN 9 N -0.84 2.69 0.07 4.37 0.02 -1.26 -0.86 114.94 119.13 2krr s ASN 9 Ca 0.33 -0.70 0.06 0.00 -1.02 0.00 0.00 52.86 51.54 2krr s ASN 9 Cb 0.08 -0.16 -0.03 0.00 0.02 0.00 0.00 41.25 41.16 2krr s ASN 9 CO -0.15 0.08 -0.17 -1.48 0.02 0.00 0.00 177.10 175.41 2krr s LEU 10 N -1.92 2.25 -0.35 0.60 0.05 -0.55 -4.78 118.68 114.00 2krr s LEU 10 Ca 0.08 -0.60 -0.25 0.00 0.05 0.00 0.00 54.13 53.41 2krr s LEU 10 Cb -0.10 -0.67 0.01 0.00 -2.05 0.00 0.00 46.19 43.38 2krr s LEU 10 CO 0.05 0.00 0.87 0.12 -0.55 0.00 0.00 176.35 176.84 2krr s PHE 11 N -1.13 3.12 0.18 3.48 2.19 0.31 -1.50 117.98 124.63 2krr s PHE 11 Ca 0.02 0.77 0.04 0.00 0.33 0.00 0.00 56.93 58.09 2krr s PHE 11 Cb -0.09 -3.49 -0.04 0.00 -1.31 0.00 0.00 43.02 38.09 2krr s PHE 11 CO 0.03 -0.73 0.21 0.14 1.83 0.00 0.00 175.22 176.69 2krr s VAL 12 N 3.27 4.82 0.30 3.12 -7.23 -0.04 0.81 120.40 125.45 2krr s VAL 12 Ca 0.36 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2krr s VAL 12 Cb -0.13 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 2krr s VAL 12 CO 0.16 -0.16 0.36 -0.83 -0.31 0.00 0.00 175.10 174.33 2krr s GLY 13 N -3.32 1.53 -1.18 2.32 0.00 0.92 -1.19 107.32 106.39 2krr s GLY 13 Ca 0.33 -1.59 -0.14 0.00 0.00 0.00 0.00 44.72 43.32 2krr s GLY 13 CO 0.26 -1.13 0.76 -2.01 0.00 0.00 0.00 173.10 170.97 2krr n ASN 14 N -1.05 -4.39 -1.51 1.64 5.15 0.15 -0.43 115.26 114.83 2krr n ASN 14 Ca 0.02 -0.95 0.11 0.00 -0.60 0.00 0.00 54.58 53.16 2krr n ASN 14 Cb 0.63 -3.68 0.35 0.00 -0.53 0.00 0.00 39.78 36.55 2krr n ASN 14 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2krr n LEU 15 N -4.10 4.44 -1.48 1.20 4.77 -0.47 -3.08 117.00 118.28 2krr n LEU 15 Ca -0.14 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 2krr n LEU 15 Cb 0.62 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2krr n LEU 15 CO 0.67 0.89 -0.35 -3.20 -1.33 0.00 0.00 177.39 174.07 2krr n ASN 16 N 1.39 -7.32 -3.79 -1.43 5.15 -1.26 -4.85 115.26 103.15 2krr n ASN 16 Ca 0.26 1.00 -0.37 0.00 -0.60 0.00 0.00 54.58 54.87 2krr n ASN 16 Cb 0.78 -3.66 -0.03 0.00 -0.53 0.00 0.00 39.78 36.34 2krr n ASN 16 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2krr n PHE 17 N 0.73 2.92 0.00 1.20 -1.74 -1.15 -4.51 117.46 114.91 2krr n PHE 17 Ca 0.00 -3.27 0.00 0.00 -0.56 0.00 0.00 57.45 53.62 2krr n PHE 17 Cb 0.00 -0.99 0.00 0.00 1.52 0.00 0.00 39.48 40.01 2krr n PHE 17 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2krr n ASN 18 N 1.20 1.09 -3.30 5.98 3.02 -1.26 -5.03 115.26 116.96 2krr n ASN 18 Ca 0.27 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.66 2krr n ASN 18 Cb 0.36 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.63 2krr n ASN 18 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2krr n LYS 19 N -1.89 -0.35 -1.32 3.52 4.76 -1.26 -5.07 118.16 116.54 2krr n LYS 19 Ca 0.00 -1.40 -0.30 0.00 -2.87 0.00 0.00 58.31 53.74 2krr n LYS 19 Cb 0.15 -0.63 0.12 0.00 -1.84 0.00 0.00 35.03 32.83 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2krr s SER 20 N -3.69 3.94 0.06 4.39 0.01 -1.26 -4.94 113.70 112.21 2krr s SER 20 Ca 0.43 1.48 -0.35 0.00 1.31 0.00 0.00 55.95 58.81 2krr s SER 20 Cb -0.02 -2.18 -0.20 0.00 0.21 0.00 0.00 66.02 63.83 2krr s SER 20 CO 0.29 -2.34 1.55 0.00 0.41 0.00 0.00 173.24 173.15 2krr h ALA 21 N -1.34 -1.15 0.00 1.44 0.00 -1.97 -2.62 119.26 113.62 2krr h ALA 21 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 21 Cb 1.27 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2krr h ALA 21 CO 0.56 -1.13 0.00 -0.35 0.00 0.00 0.00 179.25 178.32 2krr n PRO 22 N -5.58 0.09 0.14 0.00 -0.04 -1.26 -2.16 135.00 126.20 2krr n PRO 22 Ca -0.15 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2krr n PRO 22 Cb 0.46 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.59 2krr n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2krr h GLU 23 N 0.00 0.00 0.14 0.54 4.39 -1.84 -3.31 114.58 114.50 2krr h GLU 23 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2krr h GLU 23 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2krr h GLU 23 CO 0.00 0.00 -1.35 -0.07 -1.16 0.00 0.00 179.01 176.43 2krr h LEU 24 N 0.00 0.45 -1.11 1.33 4.07 -1.27 -3.31 115.31 115.46 2krr h LEU 24 Ca 0.00 -0.51 0.13 0.00 0.08 0.00 0.00 57.88 57.58 2krr h LEU 24 Cb 0.90 -0.15 -0.08 0.00 1.08 0.00 0.00 40.66 42.42 2krr h LEU 24 CO 0.00 1.41 0.61 0.11 -1.08 0.00 0.00 178.44 179.49 2krr h LYS 25 N 0.08 0.85 0.47 1.13 1.57 -1.67 -1.36 116.57 117.64 2krr h LYS 25 Ca -0.18 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 2krr h LYS 25 Cb 2.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 2krr h LYS 25 CO 0.20 0.56 -0.38 1.15 -0.57 0.00 0.00 179.45 180.41 2krr h THR 26 N 0.88 0.00 -0.61 -0.16 2.02 -1.71 -0.20 112.91 113.12 2krr h THR 26 Ca 0.48 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.73 2krr h THR 26 Cb 0.58 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 2krr h THR 26 CO -0.25 0.00 0.29 1.23 0.37 0.00 0.00 175.52 177.17 2krr h GLY 27 N -0.83 0.88 0.52 2.16 0.00 -1.63 0.21 103.07 104.38 2krr h GLY 27 Ca -0.06 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.13 2krr h GLY 27 CO 0.00 0.07 -0.06 -2.22 0.00 0.00 0.00 176.54 174.33 2krr h ILE 28 N 0.53 0.76 0.00 2.60 2.04 -1.11 -0.57 117.51 121.76 2krr h ILE 28 Ca 0.29 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 2krr h ILE 28 Cb 0.26 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2krr h ILE 28 CO -0.23 0.00 -0.03 0.28 0.00 0.00 0.00 178.15 178.17 2krr h SER 29 N -0.00 0.00 0.41 1.72 0.02 -0.56 -3.19 113.55 111.95 2krr h SER 29 Ca 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2krr h SER 29 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2krr h SER 29 CO -0.24 0.03 -0.20 -0.78 -1.14 0.00 0.00 176.83 174.50 2krr h ASP 30 N 0.00 -0.47 -0.99 3.07 1.82 0.86 -1.96 116.42 118.75 2krr h ASP 30 Ca -0.00 -0.07 0.22 0.00 -0.39 0.00 0.00 57.03 56.80 2krr h ASP 30 Cb 0.65 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 40.69 2krr h ASP 30 CO 0.00 -0.03 0.63 1.62 -1.61 0.00 0.00 179.24 179.85 2krr h VAL 31 N -1.07 0.62 -0.28 2.25 3.04 -1.26 0.14 116.25 119.69 2krr h VAL 31 Ca -0.06 -0.18 -0.17 0.00 -1.01 0.00 0.00 66.70 65.29 2krr h VAL 31 Cb 0.51 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2krr h VAL 31 CO 0.09 0.09 -0.49 -0.26 -1.01 0.00 0.00 177.57 176.00 2krr h PHE 32 N 0.52 0.95 -0.96 3.17 0.04 -1.57 -3.09 116.94 116.00 2krr h PHE 32 Ca 0.56 -0.32 0.13 0.00 2.80 0.00 0.00 57.97 61.14 2krr h PHE 32 Cb 1.22 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 39.10 2krr h PHE 32 CO -0.00 1.11 0.61 0.00 -0.60 0.00 0.00 178.31 179.42 2krr h ALA 33 N 0.83 1.62 0.00 2.45 0.00 0.08 0.25 119.26 124.51 2krr h ALA 33 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2krr h ALA 33 Cb 1.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2krr h ALA 33 CO 0.11 0.13 -0.08 1.57 0.00 0.00 0.00 179.25 180.98 2krr h LYS 34 N 0.89 0.00 -0.78 0.00 2.10 -1.41 -2.50 116.57 114.87 2krr h LYS 34 Ca 0.48 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 59.04 2krr h LYS 34 Cb 0.55 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.83 2krr h LYS 34 CO -0.24 0.08 0.10 0.09 -2.00 0.00 0.00 179.45 177.48 2krr n ASN 35 N -3.23 4.08 -1.84 7.07 3.02 0.78 -4.86 115.26 120.28 2krr n ASN 35 Ca 0.00 -2.74 -0.19 0.00 -0.03 0.00 0.00 54.58 51.62 2krr n ASN 35 Cb 0.33 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 2krr n ASN 35 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2krr n ASP 36 N 0.19 -5.31 -4.79 6.41 9.92 -0.94 -4.98 116.55 117.04 2krr n ASP 36 Ca 0.24 0.17 -0.36 0.00 -0.53 0.00 0.00 54.79 54.31 2krr n ASP 36 Cb 0.99 -4.40 -0.08 0.00 -0.64 0.00 0.00 41.12 37.00 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2krr s LEU 37 N -4.89 4.06 -0.34 0.64 1.43 -0.50 -5.02 118.68 114.06 2krr s LEU 37 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2krr s LEU 37 Cb 0.00 -1.98 0.10 0.00 0.03 0.00 0.00 46.19 44.34 2krr s LEU 37 CO 0.00 0.37 0.05 0.00 0.23 0.00 0.00 176.35 177.00 2krr s ALA 38 N -0.82 2.89 0.26 4.21 0.00 -1.26 -3.58 121.76 123.46 2krr s ALA 38 Ca 0.13 -2.43 -0.28 0.00 0.00 0.00 0.00 51.96 49.38 2krr s ALA 38 Cb -0.12 -1.97 -0.09 0.00 0.00 0.00 0.00 23.12 20.94 2krr s ALA 38 CO 0.03 -1.63 0.92 0.14 0.00 0.00 0.00 175.76 175.21 2krr s VAL 39 N 0.96 4.17 -0.14 0.00 -7.23 -1.26 -2.70 120.40 114.21 2krr s VAL 39 Ca 0.08 1.92 0.09 0.00 -1.81 0.00 0.00 61.98 62.26 2krr s VAL 39 Cb -0.20 -4.17 -0.23 0.00 0.56 0.00 0.00 36.38 32.34 2krr s VAL 39 CO -0.07 0.35 0.30 1.33 -0.31 0.00 0.00 175.10 176.70 2krr n VAL 40 N 1.10 1.56 -3.64 1.32 0.24 0.83 -4.86 118.33 114.89 2krr n VAL 40 Ca -0.01 -0.76 -0.09 0.00 -2.04 0.00 0.00 64.34 61.45 2krr n VAL 40 Cb 0.49 -1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 31.73 2krr n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2krr s ASP 41 N -6.15 -0.67 -0.02 -1.34 2.15 -1.19 -5.02 116.67 104.43 2krr s ASP 41 Ca -0.14 1.18 0.05 0.00 0.43 0.00 0.00 52.55 54.08 2krr s ASP 41 Cb 0.07 1.23 -0.03 0.00 -0.30 0.00 0.00 42.92 43.90 2krr s ASP 41 CO 0.78 -0.20 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.72 2krr s VAL 42 N 0.83 2.81 -0.03 1.11 1.01 -1.26 -0.01 120.40 124.86 2krr s VAL 42 Ca -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.10 2krr s VAL 42 Cb -0.05 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 2krr s VAL 42 CO -0.09 0.52 -0.25 -0.60 0.00 0.00 0.00 175.10 174.68 2krr s ARG 43 N -0.90 2.22 -0.03 2.72 3.52 0.71 -4.98 118.95 122.20 2krr s ARG 43 Ca 0.12 -0.91 0.07 0.00 -0.13 0.00 0.00 55.73 54.88 2krr s ARG 43 Cb -0.10 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 2krr s ARG 43 CO 0.02 0.53 -0.25 0.42 -0.81 0.00 0.00 175.30 175.21 2krr s ILE 44 N -0.53 2.12 0.76 4.11 -1.09 -1.26 -0.20 121.20 125.10 2krr s ILE 44 Ca 0.08 -1.07 -0.13 0.00 -2.23 0.00 0.00 60.65 57.29 2krr s ILE 44 Cb -0.11 -1.74 0.19 0.00 -1.58 0.00 0.00 42.46 39.22 2krr s ILE 44 CO -0.00 0.58 0.73 0.61 -1.23 0.00 0.00 174.94 175.63 2krr n GLY 45 N 2.53 -2.43 0.10 6.18 0.00 0.10 -4.94 105.19 106.73 2krr n GLY 45 Ca -0.16 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 2krr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krr h MET 46 N 0.00 0.21 0.00 1.61 -0.00 -2.01 -3.20 114.93 111.54 2krr h MET 46 Ca -0.27 -0.36 0.00 0.00 -0.00 0.00 0.00 59.70 59.07 2krr h MET 46 Cb 0.80 0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.53 2krr h MET 46 CO 0.18 1.16 0.00 -2.37 -0.00 0.00 0.00 176.91 175.88 2krr n THR 47 N -3.49 0.16 -2.11 -0.10 5.66 -1.26 -4.88 114.28 108.26 2krr n THR 47 Ca -0.07 0.04 -0.19 0.00 -3.05 0.00 0.00 64.05 60.77 2krr n THR 47 Cb 1.01 -0.60 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 2krr n THR 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2krr n ARG 48 N -1.38 -1.66 -0.00 1.09 3.00 -1.21 -4.64 116.66 111.87 2krr n ARG 48 Ca 0.10 1.01 0.03 0.00 -0.01 0.00 0.00 57.85 58.98 2krr n ARG 48 Cb 0.25 -5.57 -0.03 0.00 0.00 0.00 0.00 32.46 27.11 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2krr n LYS 49 N -2.74 4.70 -3.90 5.56 4.81 -1.26 -2.95 118.16 122.39 2krr n LYS 49 Ca -0.22 -0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.11 2krr n LYS 49 Cb 0.66 -0.80 -0.00 0.00 0.02 0.00 0.00 35.03 34.91 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2krr s PHE 50 N -1.61 0.36 -1.44 5.64 -0.71 -1.26 0.30 117.98 119.25 2krr s PHE 50 Ca 0.02 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.02 2krr s PHE 50 Cb 0.04 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 2krr s PHE 50 CO 0.23 -1.41 0.00 0.41 -1.34 0.00 0.00 175.22 173.12 2krr n GLY 51 N -0.53 -0.74 3.16 1.99 0.00 -0.34 0.03 105.19 108.78 2krr n GLY 51 Ca -0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 2krr n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krr s TYR 52 N -4.00 0.41 -0.04 1.61 1.51 0.72 -0.86 117.35 116.71 2krr s TYR 52 Ca 0.00 -0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 55.17 2krr s TYR 52 Cb 0.00 -0.25 0.03 0.00 -0.11 0.00 0.00 41.96 41.63 2krr s TYR 52 CO 0.00 -0.49 0.04 0.08 -1.11 0.00 0.00 175.55 174.07 2krr s VAL 53 N -3.92 -0.03 -0.16 0.71 1.01 -0.56 -0.21 120.40 117.24 2krr s VAL 53 Ca 0.09 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2krr s VAL 53 Cb 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2krr s VAL 53 CO -0.08 0.16 0.16 -1.81 0.00 0.00 0.00 175.10 173.53 2krr s ASP 54 N 1.72 6.31 0.13 3.32 1.01 0.99 -1.47 116.67 128.67 2krr s ASP 54 Ca -0.01 0.36 0.08 0.00 0.71 0.00 0.00 52.55 53.69 2krr s ASP 54 Cb -0.12 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2krr s ASP 54 CO -0.03 0.25 -0.09 -0.36 0.21 0.00 0.00 175.17 175.15 2krr s PHE 55 N -0.13 2.72 0.16 4.23 0.40 -0.04 -0.12 117.98 125.20 2krr s PHE 55 Ca 0.12 -0.17 -0.25 0.00 -0.60 0.00 0.00 56.93 56.02 2krr s PHE 55 Cb -0.12 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.04 2krr s PHE 55 CO 0.01 0.45 1.59 0.93 0.70 0.00 0.00 175.22 178.90 2krr h GLU 56 N 3.36 -0.31 -5.33 0.44 5.08 -1.83 -3.43 114.58 112.56 2krr h GLU 56 Ca -0.48 0.02 -0.44 0.00 -1.00 0.00 0.00 59.36 57.46 2krr h GLU 56 Cb 1.18 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 2krr h GLU 56 CO 0.53 -0.20 -0.68 0.45 -1.00 0.00 0.00 179.01 178.11 2krr s SER 57 N -5.03 2.34 0.60 1.42 0.15 -1.26 -4.96 113.70 106.97 2krr s SER 57 Ca -0.15 -1.16 0.30 0.00 0.70 0.00 0.00 55.95 55.64 2krr s SER 57 Cb 0.12 -0.09 1.72 0.00 -1.71 0.00 0.00 66.02 66.06 2krr s SER 57 CO 0.66 -0.38 2.11 0.00 1.20 0.00 0.00 173.24 176.83 2krr h ALA 58 N 2.42 1.71 0.20 5.45 0.00 -1.93 -2.66 119.26 124.45 2krr h ALA 58 Ca -0.39 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2krr h ALA 58 Cb 1.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2krr h ALA 58 CO 0.65 -0.28 -0.53 0.93 0.00 0.00 0.00 179.25 180.03 2krr h GLU 59 N 0.00 -0.78 0.00 0.00 5.08 -1.96 0.68 114.58 117.60 2krr h GLU 59 Ca 0.07 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2krr h GLU 59 Cb 0.47 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2krr h GLU 59 CO -0.00 -0.52 -0.08 -0.44 -1.00 0.00 0.00 179.01 176.97 2krr h ASP 60 N -0.81 0.00 0.10 1.42 3.32 -1.88 -0.56 116.42 118.01 2krr h ASP 60 Ca -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2krr h ASP 60 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2krr h ASP 60 CO -0.24 0.08 -0.05 0.25 -1.72 0.00 0.00 179.24 177.56 2krr h LEU 61 N 0.00 -0.12 0.09 1.55 7.12 -0.96 -2.79 115.31 120.22 2krr h LEU 61 Ca -0.00 -0.26 -0.27 0.00 0.13 0.00 0.00 57.88 57.48 2krr h LEU 61 Cb 0.67 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 2krr h LEU 61 CO 0.01 0.20 -1.25 1.05 -0.13 0.00 0.00 178.44 178.32 2krr h GLU 62 N -0.44 0.20 -0.44 1.25 4.11 -0.90 -3.34 114.58 115.02 2krr h GLU 62 Ca -0.01 -0.34 0.09 0.00 0.07 0.00 0.00 59.36 59.16 2krr h GLU 62 Cb 0.37 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2krr h GLU 62 CO 0.02 1.13 -0.05 0.87 0.07 0.00 0.00 179.01 181.05 2krr h LYS 63 N 0.05 0.06 -0.68 1.06 1.57 -1.14 0.53 116.57 118.01 2krr h LYS 63 Ca -0.13 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2krr h LYS 63 Cb 1.94 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 34.19 2krr h LYS 63 CO 0.18 0.04 0.46 0.00 -0.57 0.00 0.00 179.45 179.55 2krr h ALA 64 N 1.42 2.13 0.00 3.86 0.00 -1.61 0.44 119.26 125.50 2krr h ALA 64 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2krr h ALA 64 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2krr h ALA 64 CO -0.41 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 179.82 2krr n LEU 65 N -4.46 0.36 -0.04 0.00 4.77 0.16 -2.44 117.00 115.36 2krr n LEU 65 Ca 0.12 0.60 -0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2krr n LEU 65 Cb 0.49 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 2krr n LEU 65 CO 0.34 -0.48 -0.79 -0.62 -1.33 0.00 0.00 177.39 174.51 2krr n GLU 66 N -1.91 1.27 -0.51 3.23 -0.58 0.14 -5.02 120.64 117.26 2krr n GLU 66 Ca 0.02 -0.06 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 2krr n GLU 66 Cb 0.17 -1.32 0.20 0.00 -0.57 0.00 0.00 31.44 29.92 2krr n GLU 66 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2krr n LEU 67 N -2.24 -1.57 -3.74 -4.62 4.77 -0.16 -5.05 117.00 104.39 2krr n LEU 67 Ca -0.12 -0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 55.38 2krr n LEU 67 Cb 0.66 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2krr n LEU 67 CO 0.27 -3.46 0.05 0.28 -1.33 0.00 0.00 177.39 173.20 2krr s THR 68 N -2.17 0.09 -0.75 -5.08 -1.32 -1.26 -4.91 115.64 100.24 2krr s THR 68 Ca 0.52 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2krr s THR 68 Cb -0.11 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 2krr s THR 68 CO 0.53 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 2krr n GLY 69 N 0.27 0.12 3.53 6.08 0.00 -1.26 -4.98 105.19 108.94 2krr n GLY 69 Ca -0.17 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2krr n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2krr s LEU 70 N -2.41 4.29 0.10 0.99 1.43 -1.26 -5.02 118.68 116.80 2krr s LEU 70 Ca 0.00 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2krr s LEU 70 Cb 0.00 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2krr s LEU 70 CO 0.00 -0.96 0.01 -1.59 0.23 0.00 0.00 176.35 174.05 2krr s LYS 71 N 3.33 0.81 -0.14 1.70 0.00 -1.26 -2.55 119.74 121.62 2krr s LYS 71 Ca 0.29 -1.35 -0.13 0.00 0.00 0.00 0.00 55.97 54.78 2krr s LYS 71 Cb -0.13 0.18 0.04 0.00 0.00 0.00 0.00 37.83 37.92 2krr s LYS 71 CO 0.21 -0.18 0.37 0.14 0.00 0.00 0.00 175.35 175.89 2krr s VAL 72 N -3.96 -0.00 -2.10 1.79 -7.23 0.94 -4.69 120.40 105.15 2krr s VAL 72 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2krr s VAL 72 Cb 0.08 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.50 2krr s VAL 72 CO -0.03 0.00 0.00 0.49 -0.31 0.00 0.00 175.10 175.25 2krr n PHE 73 N 2.89 -0.06 0.00 2.82 3.72 -1.26 -2.04 117.46 123.52 2krr n PHE 73 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2krr n PHE 73 Cb 0.57 -3.37 0.00 0.00 -0.94 0.00 0.00 39.48 35.75 2krr n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krr n GLY 74 N -0.37 3.04 3.79 1.37 0.00 -1.26 -5.04 105.19 106.70 2krr n GLY 74 Ca -0.20 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 6.13 -0.39 1.61 -0.87 -0.87 -5.01 114.94 115.54 2krr s ASN 75 Ca 0.00 2.05 -0.17 0.00 -1.57 0.00 0.00 52.86 53.17 2krr s ASN 75 Cb 0.00 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.67 2krr s ASN 75 CO 0.00 -0.93 0.43 -0.70 -2.57 0.00 0.00 177.10 173.33 2krr s GLU 76 N -3.17 3.29 1.04 -0.60 2.12 -1.26 -0.04 118.70 120.09 2krr s GLU 76 Ca 0.68 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 55.30 2krr s GLU 76 Cb -0.20 -3.90 0.21 0.00 0.26 0.00 0.00 34.13 30.50 2krr s GLU 76 CO 0.24 -0.74 1.09 0.96 -0.54 0.00 0.00 175.26 176.26 2krr s ILE 77 N 2.15 1.98 -0.08 -3.70 -5.25 -1.06 -4.76 121.20 110.48 2krr s ILE 77 Ca 0.13 0.00 -0.01 0.00 -0.99 0.00 0.00 60.65 59.78 2krr s ILE 77 Cb -0.17 -2.44 0.03 0.00 2.95 0.00 0.00 42.46 42.83 2krr s ILE 77 CO 0.13 0.00 -0.01 -0.54 -1.79 0.00 0.00 174.94 172.73 2krr s LYS 78 N -4.93 0.79 -0.03 0.37 1.02 0.43 -4.84 119.74 112.54 2krr s LYS 78 Ca 0.66 0.03 -0.18 0.00 0.02 0.00 0.00 55.97 56.50 2krr s LYS 78 Cb -0.19 -1.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.99 2krr s LYS 78 CO 0.58 -0.29 0.51 -0.51 -0.92 0.00 0.00 175.35 174.73 2krr s LEU 79 N 1.87 4.40 0.00 3.17 1.43 -1.26 -0.05 118.68 128.24 2krr s LEU 79 Ca 0.04 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2krr s LEU 79 Cb -0.12 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2krr s LEU 79 CO -0.06 0.15 0.38 -0.62 0.23 0.00 0.00 176.35 176.43 2krr n GLU 80 N 2.67 0.54 -4.58 1.70 4.71 0.24 -4.96 120.64 120.96 2krr n GLU 80 Ca -0.09 -2.26 -0.34 0.00 -0.01 0.00 0.00 57.16 54.47 2krr n GLU 80 Cb 0.51 2.14 -0.12 0.00 -1.01 0.00 0.00 31.44 32.97 2krr n GLU 80 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2krr s LYS 81 N -2.67 3.17 0.33 3.49 3.01 -1.26 -0.53 119.74 125.28 2krr s LYS 81 Ca 0.24 -0.57 -0.06 0.00 -1.01 0.00 0.00 55.97 54.58 2krr s LYS 81 Cb -0.01 -2.70 0.08 0.00 -1.01 0.00 0.00 37.83 34.19 2krr s LYS 81 CO 0.17 0.44 0.29 -0.35 0.51 0.00 0.00 175.35 176.41 2krr n PRO 82 N 2.90 -1.59 -4.29 -1.68 -0.04 -1.26 -4.81 135.00 124.23 2krr n PRO 82 Ca -0.18 -0.47 -0.25 0.00 -0.04 0.00 0.00 63.50 62.57 2krr n PRO 82 Cb 0.53 -0.44 -0.08 0.00 -0.04 0.00 0.00 33.50 33.47 2krr n PRO 82 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2krr s LYS 83 N -3.66 2.13 0.00 0.54 0.00 -1.26 -5.06 119.74 112.43 2krr s LYS 83 Ca 0.19 -1.76 0.00 0.00 0.00 0.00 0.00 55.97 54.40 2krr s LYS 83 Cb -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 37.83 35.86 2krr s LYS 83 CO 0.15 0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.99 2krr n GLY 84 N -1.03 4.67 3.63 0.59 0.00 -1.26 -5.17 105.19 106.62 2krr n GLY 84 Ca -0.04 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 2krr n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 85 N 1.25 0.57 0.10 1.61 -2.85 -1.26 -5.17 119.74 113.99 2krr s LYS 85 Ca 0.00 1.36 -0.26 0.00 -1.00 0.00 0.00 55.97 56.07 2krr s LYS 85 Cb 0.00 0.74 0.09 0.00 -2.06 0.00 0.00 37.83 36.59 2krr s LYS 85 CO 0.00 -0.18 1.11 0.34 0.10 0.00 0.00 175.35 176.72 2krr s ASP 86 N 2.68 -0.06 0.08 0.03 -1.08 -1.26 -5.04 116.67 112.01 2krr s ASP 86 Ca -0.06 -0.40 0.01 0.00 -0.52 0.00 0.00 52.55 51.58 2krr s ASP 86 Cb -0.10 0.36 -0.25 0.00 -1.46 0.00 0.00 42.92 41.47 2krr s ASP 86 CO -0.19 -0.70 1.14 0.77 0.52 0.00 0.00 175.17 176.71 2krr h SER 87 N 2.00 0.24 0.00 -0.34 4.64 -2.05 -3.23 113.55 114.82 2krr h SER 87 Ca -0.27 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2krr h SER 87 Cb 1.21 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2krr h SER 87 CO 0.30 1.22 -0.00 0.11 -0.87 0.00 0.00 176.83 177.59 2krr h LYS 88 N 0.04 0.00 -0.81 4.77 1.57 -2.03 -2.07 116.57 118.04 2krr h LYS 88 Ca -0.11 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.90 2krr h LYS 88 Cb 1.90 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.18 2krr h LYS 88 CO 0.17 0.00 0.58 1.57 -0.57 0.00 0.00 179.45 181.19 2krr h LYS 89 N 0.00 0.01 -0.89 3.15 2.10 -1.97 0.10 116.57 119.07 2krr h LYS 89 Ca -0.00 -0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.90 2krr h LYS 89 Cb 0.00 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 2krr h LYS 89 CO 0.00 0.01 0.63 1.49 -2.00 0.00 0.00 179.45 179.58 2krr h GLU 90 N 0.01 0.05 0.17 0.07 4.81 -1.63 -0.09 114.58 117.98 2krr h GLU 90 Ca 0.38 -0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.26 2krr h GLU 90 Cb 1.52 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.90 2krr h GLU 90 CO -0.01 0.03 -1.76 0.00 -0.73 0.00 0.00 179.01 176.55 2krr h ARG 91 N 0.05 0.36 -0.07 1.92 3.08 -1.03 -3.33 114.38 115.35 2krr h ARG 91 Ca 0.43 -0.61 0.02 0.00 0.07 0.00 0.00 59.98 59.89 2krr h ARG 91 Cb 1.63 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.91 2krr h ARG 91 CO -0.03 1.29 0.09 0.38 -1.07 0.00 0.00 179.97 180.63 2krr h ASP 92 N 0.05 0.00 0.65 7.04 3.04 -1.02 0.11 116.42 126.29 2krr h ASP 92 Ca -0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 2krr h ASP 92 Cb 2.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.34 2krr h ASP 92 CO 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.35 2krr h ALA 93 N 1.89 1.00 -0.93 4.15 0.00 -1.33 -2.32 119.26 121.72 2krr h ALA 93 Ca 0.04 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.17 2krr h ALA 93 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2krr h ALA 93 CO -0.00 0.00 0.62 0.07 0.00 0.00 0.00 179.25 179.94 2krr h ARG 94 N 0.00 0.32 -6.36 0.00 0.11 -0.97 -3.40 114.38 104.09 2krr h ARG 94 Ca 0.00 -0.02 -0.69 0.00 0.10 0.00 0.00 59.98 59.37 2krr h ARG 94 Cb 0.33 -0.07 -0.29 0.00 1.11 0.00 0.00 29.97 31.04 2krr h ARG 94 CO 0.00 0.21 -0.87 0.99 0.10 0.00 0.00 179.97 180.40 2krr s THR 95 N -5.35 2.24 0.22 0.08 2.01 -1.14 -2.45 115.64 111.25 2krr s THR 95 Ca -0.08 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 60.96 2krr s THR 95 Cb 0.23 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2krr s THR 95 CO 0.78 0.58 0.18 -0.76 -0.69 0.00 0.00 174.62 174.71 2krr s LEU 96 N -0.47 3.82 0.05 4.42 2.01 0.11 -2.58 118.68 126.03 2krr s LEU 96 Ca 0.06 -0.20 0.09 0.00 0.01 0.00 0.00 54.13 54.08 2krr s LEU 96 Cb -0.11 -2.38 -0.03 0.00 0.01 0.00 0.00 46.19 43.68 2krr s LEU 96 CO 0.01 -0.00 -0.25 -0.22 1.01 0.00 0.00 176.35 176.90 2krr s LEU 97 N -3.59 2.18 -0.02 1.79 2.96 0.11 -1.00 118.68 121.11 2krr s LEU 97 Ca 0.32 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2krr s LEU 97 Cb -0.09 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2krr s LEU 97 CO 0.24 0.23 -0.06 0.00 -1.32 0.00 0.00 176.35 175.44 2krr s ALA 98 N -0.82 3.03 0.25 5.97 0.00 0.91 -0.00 121.76 131.09 2krr s ALA 98 Ca 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2krr s ALA 98 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2krr s ALA 98 CO 0.02 0.60 0.22 0.15 0.00 0.00 0.00 175.76 176.76 2krr s LYS 99 N -1.20 1.44 -1.06 0.00 1.02 -0.78 -1.57 119.74 117.59 2krr s LYS 99 Ca 0.15 -1.73 -0.05 0.00 0.02 0.00 0.00 55.97 54.37 2krr s LYS 99 Cb -0.11 0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.52 2krr s LYS 99 CO 0.05 -0.51 0.69 -1.71 -0.92 0.00 0.00 175.35 172.95 2krr n ASN 100 N -0.74 -5.09 -4.73 2.83 5.15 -1.26 -2.24 115.26 109.18 2krr n ASN 100 Ca 0.03 -0.32 -0.30 0.00 -0.60 0.00 0.00 54.58 53.40 2krr n ASN 100 Cb 0.64 -3.80 -0.07 0.00 -0.53 0.00 0.00 39.78 36.02 2krr n ASN 100 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2krr s LEU 101 N -5.36 3.62 0.97 1.20 1.43 -1.26 -4.34 118.68 114.93 2krr s LEU 101 Ca 0.34 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 2krr s LEU 101 Cb -0.15 -2.31 0.17 0.00 0.03 0.00 0.00 46.19 43.93 2krr s LEU 101 CO 0.42 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.09 2krr s PRO 102 N -2.47 0.67 0.00 1.29 0.04 -1.26 -4.50 135.00 128.77 2krr s PRO 102 Ca 0.28 0.61 0.26 0.00 0.04 0.00 0.00 61.00 62.19 2krr s PRO 102 Cb -0.12 -1.76 1.37 0.00 0.04 0.00 0.00 34.50 34.03 2krr s PRO 102 CO 0.20 -2.59 1.89 0.66 0.04 0.00 0.00 177.00 177.20 2krr n TYR 103 N -4.09 0.00 0.17 0.56 4.01 -1.26 -2.60 117.16 113.94 2krr n TYR 103 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.82 2krr n TYR 103 Cb 0.57 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 39.40 2krr n TYR 103 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krr n LYS 104 N -1.22 0.15 -0.89 -0.72 0.00 -1.26 -1.17 118.16 113.04 2krr n LYS 104 Ca 0.14 -0.93 -0.33 0.00 -0.00 0.00 0.00 58.31 57.19 2krr n LYS 104 Cb 0.18 -1.10 0.11 0.00 -0.00 0.00 0.00 35.03 34.23 2krr n LYS 104 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2krr n VAL 105 N 0.23 0.46 -4.24 0.58 3.14 -1.07 -4.91 118.33 112.52 2krr n VAL 105 Ca 0.03 -0.22 -0.15 0.00 -2.96 0.00 0.00 64.34 61.04 2krr n VAL 105 Cb 0.15 -0.70 -0.09 0.00 -1.06 0.00 0.00 33.84 32.14 2krr n VAL 105 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2krr s THR 106 N -2.30 0.04 0.06 1.55 2.01 -1.26 -4.67 115.64 111.07 2krr s THR 106 Ca 0.60 -2.00 -0.37 0.00 0.31 0.00 0.00 61.69 60.23 2krr s THR 106 Cb -0.24 -2.50 -0.20 0.00 0.01 0.00 0.00 72.50 69.56 2krr s THR 106 CO 0.64 0.00 1.54 1.56 -0.69 0.00 0.00 174.62 177.67 2krr h GLN 107 N 2.44 -1.27 -0.92 4.92 4.20 -1.98 -2.75 115.11 119.74 2krr h GLN 107 Ca -0.33 0.09 0.20 0.00 0.06 0.00 0.00 58.65 58.67 2krr h GLN 107 Cb 1.24 0.29 -0.07 0.00 0.30 0.00 0.00 27.48 29.24 2krr h GLN 107 CO 0.48 -0.85 0.60 0.22 -0.67 0.00 0.00 178.83 178.62 2krr h ASP 108 N -1.32 0.49 -0.63 1.46 1.82 -1.98 0.13 116.42 116.38 2krr h ASP 108 Ca -0.13 0.05 0.12 0.00 -0.39 0.00 0.00 57.03 56.67 2krr h ASP 108 Cb 1.01 -0.04 -0.09 0.00 0.68 0.00 0.00 39.33 40.89 2krr h ASP 108 CO 0.22 0.20 0.17 -0.33 -1.61 0.00 0.00 179.24 177.88 2krr h GLU 109 N 0.49 0.29 0.00 0.28 5.08 -1.90 -1.03 114.58 117.79 2krr h GLU 109 Ca 0.49 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2krr h GLU 109 Cb 1.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2krr h GLU 109 CO -0.21 0.19 -0.92 -0.07 -1.00 0.00 0.00 179.01 177.00 2krr h LEU 110 N 0.30 0.00 -0.35 1.33 4.07 -1.02 -3.27 115.31 116.37 2krr h LEU 110 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 2krr h LEU 110 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2krr h LEU 110 CO -0.40 0.37 0.00 2.29 -1.08 0.00 0.00 178.44 179.62 2krr n LYS 111 N -2.96 0.08 0.13 1.13 2.85 0.28 -2.29 118.16 117.38 2krr n LYS 111 Ca -0.03 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.70 2krr n LYS 111 Cb 0.71 -1.67 0.50 0.00 -0.65 0.00 0.00 35.03 33.93 2krr n LYS 111 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2krr n GLU 112 N -1.82 0.16 -0.07 -1.58 -0.58 -0.67 0.11 120.64 116.19 2krr n GLU 112 Ca 0.02 0.50 -0.15 0.00 -0.42 0.00 0.00 57.16 57.12 2krr n GLU 112 Cb 0.17 -1.87 -0.06 0.00 -0.57 0.00 0.00 31.44 29.11 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2krr n VAL 113 N -2.18 0.82 -1.46 2.62 0.24 -0.97 -4.67 118.33 112.73 2krr n VAL 113 Ca 0.01 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 2krr n VAL 113 Cb 0.14 -1.58 0.10 0.00 -1.47 0.00 0.00 33.84 31.02 2krr n VAL 113 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2krr n PHE 114 N -3.54 2.89 0.23 6.34 1.16 -1.21 -4.66 117.46 118.67 2krr n PHE 114 Ca -0.29 -2.54 0.17 0.00 -1.87 0.00 0.00 57.45 52.93 2krr n PHE 114 Cb 0.72 -1.06 0.86 0.00 -1.61 0.00 0.00 39.48 38.39 2krr n PHE 114 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 2krr h GLU 115 N 1.76 0.00 0.00 3.97 -0.00 -0.60 0.37 114.58 120.08 2krr h GLU 115 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.89 2krr h GLU 115 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 2krr h GLU 115 CO 1.23 0.00 -0.08 0.22 -0.00 0.00 0.00 179.01 180.38 2krr h ASP 116 N 0.00 0.00 -2.31 3.06 3.58 -1.83 -3.47 116.42 115.45 2krr h ASP 116 Ca 0.07 -0.02 -0.48 0.00 0.42 0.00 0.00 57.03 57.01 2krr h ASP 116 Cb 0.43 0.00 0.24 0.00 1.72 0.00 0.00 39.33 41.71 2krr h ASP 116 CO -0.00 0.01 -1.30 0.00 -2.88 0.00 0.00 179.24 175.07 2krr n ALA 117 N -1.85 -4.20 0.25 -0.78 0.00 0.13 -4.94 120.51 109.12 2krr n ALA 117 Ca 0.05 -1.12 -0.10 0.00 0.00 0.00 0.00 53.44 52.26 2krr n ALA 117 Cb 0.45 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 2krr n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ALA 118 N -1.72 -0.81 -2.54 0.00 0.00 -1.86 -3.48 119.26 108.85 2krr h ALA 118 Ca -0.49 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 2krr h ALA 118 Cb 1.35 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 2krr h ALA 118 CO 0.34 -0.76 -0.51 -1.83 0.00 0.00 0.00 179.25 176.49 2krr s GLU 119 N -3.88 1.07 -0.01 0.00 -1.05 -0.63 -5.04 118.70 109.16 2krr s GLU 119 Ca -0.10 -1.36 0.02 0.00 -0.15 0.00 0.00 54.97 53.38 2krr s GLU 119 Cb 0.01 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2krr s GLU 119 CO 0.29 -0.35 -0.07 0.42 0.95 0.00 0.00 175.26 176.50 2krr s ILE 120 N -4.03 0.60 -0.18 1.83 1.09 -1.26 -2.45 121.20 116.79 2krr s ILE 120 Ca 0.24 -0.31 -0.05 0.00 -1.10 0.00 0.00 60.65 59.43 2krr s ILE 120 Cb 0.06 -0.52 0.07 0.00 -1.06 0.00 0.00 42.46 41.01 2krr s ILE 120 CO 0.03 0.18 0.13 -0.13 -0.10 0.00 0.00 174.94 175.05 2krr s ARG 121 N -0.06 0.10 0.41 2.79 1.81 0.13 -4.98 118.95 119.15 2krr s ARG 121 Ca 0.01 0.02 -0.02 0.00 -1.72 0.00 0.00 55.73 54.02 2krr s ARG 121 Cb -0.04 -1.61 -0.03 0.00 -0.45 0.00 0.00 34.95 32.81 2krr s ARG 121 CO -0.00 -0.66 0.67 -0.51 -0.68 0.00 0.00 175.30 174.11 2krr s LEU 122 N 2.20 3.82 -0.31 2.53 2.01 -1.26 -0.11 118.68 127.57 2krr s LEU 122 Ca 0.04 0.69 0.01 0.00 0.01 0.00 0.00 54.13 54.87 2krr s LEU 122 Cb -0.16 -3.59 0.07 0.00 0.01 0.00 0.00 46.19 42.52 2krr s LEU 122 CO -0.10 -0.43 -0.01 -0.69 1.01 0.00 0.00 176.35 176.13 2krr s VAL 123 N -2.53 2.59 -0.02 -1.59 1.01 -1.20 -4.88 120.40 113.78 2krr s VAL 123 Ca 0.44 -1.73 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 2krr s VAL 123 Cb -0.10 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2krr s VAL 123 CO 0.40 -0.24 0.18 -0.94 0.00 0.00 0.00 175.10 174.50 2krr s SER 124 N 1.20 -0.07 -0.04 3.32 1.04 -1.26 -2.20 113.70 115.68 2krr s SER 124 Ca -0.02 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2krr s SER 124 Cb -0.20 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2krr s SER 124 CO -0.04 -0.29 -0.18 -0.75 0.98 0.00 0.00 173.24 172.96 2krr s LYS 125 N -0.92 1.83 -1.24 4.02 2.47 0.05 -4.67 119.74 121.27 2krr s LYS 125 Ca -0.10 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 53.66 2krr s LYS 125 Cb -0.05 -1.61 0.00 0.00 -1.46 0.00 0.00 37.83 34.71 2krr s LYS 125 CO 0.02 0.28 0.00 -3.47 0.16 0.00 0.00 175.35 172.34 2krr n ASP 126 N 3.05 -5.22 0.00 1.43 2.03 -1.26 -1.60 116.55 114.98 2krr n ASP 126 Ca -0.18 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2krr n ASP 126 Cb 0.53 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 2krr n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 127 N -0.47 0.83 2.84 0.27 0.00 -1.26 -5.07 105.19 102.32 2krr n GLY 127 Ca -0.12 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 2krr n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 128 N -2.27 0.43 0.99 1.61 -0.14 -0.63 -5.04 119.74 114.69 2krr s LYS 128 Ca 0.00 0.03 -0.11 0.00 -1.36 0.00 0.00 55.97 54.53 2krr s LYS 128 Cb 0.00 -0.56 0.17 0.00 -1.68 0.00 0.00 37.83 35.75 2krr s LYS 128 CO 0.00 -0.12 0.99 0.45 -0.76 0.00 0.00 175.35 175.92 2krr n SER 129 N 4.09 -0.50 -0.04 2.83 2.88 -0.32 -0.77 113.62 121.78 2krr n SER 129 Ca -0.27 0.26 0.03 0.00 -1.33 0.00 0.00 58.87 57.56 2krr n SER 129 Cb 0.50 -1.38 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 2krr n SER 129 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2krr n LYS 130 N -4.05 4.21 -0.25 -1.46 4.76 -0.94 -4.76 118.16 115.68 2krr n LYS 130 Ca 0.09 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2krr n LYS 130 Cb 0.53 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2krr n GLY 131 N 1.01 1.30 3.62 0.72 0.00 -1.26 -5.06 105.19 105.52 2krr n GLY 131 Ca 0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2krr n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2krr s ILE 132 N -2.00 -0.00 0.26 -0.61 -5.25 -1.26 -4.25 121.20 108.09 2krr s ILE 132 Ca 0.00 0.00 0.09 0.00 -0.99 0.00 0.00 60.65 59.75 2krr s ILE 132 Cb 0.00 -0.99 -0.05 0.00 2.95 0.00 0.00 42.46 44.37 2krr s ILE 132 CO 0.00 0.00 -0.12 0.00 -1.79 0.00 0.00 174.94 173.03 2krr s ALA 133 N 1.24 2.42 -0.03 2.27 0.00 -0.61 -3.27 121.76 123.78 2krr s ALA 133 Ca -0.07 -1.85 0.03 0.00 0.00 0.00 0.00 51.96 50.07 2krr s ALA 133 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2krr s ALA 133 CO -0.13 0.07 -0.10 0.71 0.00 0.00 0.00 175.76 176.31 2krr s TYR 134 N -2.83 1.01 -0.05 0.00 2.02 0.85 -0.07 117.35 118.28 2krr s TYR 134 Ca 0.28 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 2krr s TYR 134 Cb 0.00 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2krr s TYR 134 CO 0.12 -0.10 -0.06 0.96 -1.57 0.00 0.00 175.55 174.90 2krr s ILE 135 N 0.15 0.65 -0.45 2.71 -0.00 -0.17 0.18 121.20 124.27 2krr s ILE 135 Ca -0.03 -0.18 -0.13 0.00 -0.00 0.00 0.00 60.65 60.31 2krr s ILE 135 Cb -0.08 -0.66 0.07 0.00 -0.00 0.00 0.00 42.46 41.80 2krr s ILE 135 CO 0.01 0.25 0.34 -0.70 -0.00 0.00 0.00 174.94 174.83 2krr s GLU 136 N 0.90 2.82 0.80 0.37 -6.30 -1.03 0.04 118.70 116.31 2krr s GLU 136 Ca -0.11 -1.39 -0.11 0.00 -2.50 0.00 0.00 54.97 50.86 2krr s GLU 136 Cb -0.15 -3.98 0.09 0.00 0.00 0.00 0.00 34.13 30.10 2krr s GLU 136 CO 0.01 -0.99 1.15 -0.06 0.02 0.00 0.00 175.26 175.38 2krr s PHE 137 N 1.55 2.73 0.08 5.30 0.40 -1.02 -1.61 117.98 125.41 2krr s PHE 137 Ca 0.04 0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 56.81 2krr s PHE 137 Cb -0.24 -3.49 -0.18 0.00 0.51 0.00 0.00 43.02 39.62 2krr s PHE 137 CO 0.05 -1.79 1.25 0.87 0.70 0.00 0.00 175.22 176.30 2krr h LYS 138 N -1.00 0.72 -3.44 0.44 6.56 -1.94 -3.45 116.57 114.45 2krr h LYS 138 Ca -0.45 -0.64 -0.10 0.00 -1.06 0.00 0.00 60.65 58.40 2krr h LYS 138 Cb 1.31 0.15 -0.16 0.00 -0.57 0.00 0.00 32.23 32.96 2krr h LYS 138 CO 0.60 1.24 -0.30 -0.08 -2.06 0.00 0.00 179.45 178.86 2krr s THR 139 N -3.60 0.10 0.56 -0.16 -1.32 -1.26 -5.03 115.64 104.94 2krr s THR 139 Ca -0.11 -0.80 0.25 0.00 -1.21 0.00 0.00 61.69 59.83 2krr s THR 139 Cb 0.07 -0.99 0.34 0.00 -1.51 0.00 0.00 72.50 70.41 2krr s THR 139 CO 0.90 -0.44 2.16 -0.08 -2.21 0.00 0.00 174.62 174.94 2krr h GLU 140 N 3.19 0.00 -0.29 7.08 4.81 -1.86 -0.48 114.58 127.03 2krr h GLU 140 Ca -0.32 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 2krr h GLU 140 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2krr h GLU 140 CO 0.48 0.00 -0.22 0.00 -0.73 0.00 0.00 179.01 178.54 2krr h ALA 141 N 1.91 1.08 0.12 2.92 0.00 -1.95 0.25 119.26 123.58 2krr h ALA 141 Ca 0.05 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 2krr h ALA 141 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2krr h ALA 141 CO -0.00 0.56 -1.53 0.22 0.00 0.00 0.00 179.25 178.50 2krr h ASP 142 N 0.49 0.40 0.29 0.00 3.58 -1.56 -3.14 116.42 116.48 2krr h ASP 142 Ca 0.07 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 2krr h ASP 142 Cb 0.65 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2krr h ASP 142 CO 0.05 1.46 -0.14 0.00 -2.88 0.00 0.00 179.24 177.72 2krr h ALA 143 N 0.48 -0.40 -0.36 -0.78 0.00 -1.10 0.26 119.26 117.37 2krr h ALA 143 Ca -0.24 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.67 2krr h ALA 143 Cb 2.02 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 2krr h ALA 143 CO 0.16 -0.37 0.35 1.05 0.00 0.00 0.00 179.25 180.45 2krr h GLU 144 N -1.10 0.00 0.00 0.00 4.11 -0.70 -1.44 114.58 115.45 2krr h GLU 144 Ca -0.04 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.27 2krr h GLU 144 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2krr h GLU 144 CO 0.07 0.00 -0.73 -0.22 0.07 0.00 0.00 179.01 178.20 2krr h LYS 145 N 0.00 0.00 -0.78 1.06 3.64 -1.58 -3.35 116.57 115.56 2krr h LYS 145 Ca 0.17 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.78 2krr h LYS 145 Cb 0.88 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2krr h LYS 145 CO -0.00 0.76 0.64 1.15 -2.27 0.00 0.00 179.45 179.72 2krr h THR 146 N -1.00 0.45 -0.05 1.00 2.02 0.07 -0.38 112.91 115.02 2krr h THR 146 Ca -0.18 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2krr h THR 146 Cb 1.00 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 2krr h THR 146 CO -0.11 0.00 -0.44 0.15 0.37 0.00 0.00 175.52 175.49 2krr h PHE 147 N 0.00 -1.31 0.00 3.16 3.57 -1.42 0.29 116.94 121.23 2krr h PHE 147 Ca 0.37 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 2krr h PHE 147 Cb 1.64 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 40.95 2krr h PHE 147 CO 0.00 -0.46 -0.28 1.05 -2.23 0.00 0.00 178.31 176.39 2krr h GLU 148 N -0.52 0.00 0.00 1.11 4.11 -1.61 0.15 114.58 117.82 2krr h GLU 148 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 2krr h GLU 148 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2krr h GLU 148 CO -0.32 0.07 -0.01 0.93 0.07 0.00 0.00 179.01 179.75 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.53 -3.28 114.58 116.22 2krr h GLU 149 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2krr h GLU 149 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2krr h GLU 149 CO 0.01 0.01 -1.13 1.63 -1.16 0.00 0.00 179.01 178.37 2krr n LYS 150 N -3.11 2.83 -1.54 2.33 4.01 0.97 -5.01 118.16 118.64 2krr n LYS 150 Ca 0.01 -0.01 -0.46 0.00 -0.51 0.00 0.00 58.31 57.34 2krr n LYS 150 Cb 0.35 -1.05 -0.02 0.00 -0.51 0.00 0.00 35.03 33.80 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2krr n GLN 151 N -1.96 1.00 0.00 1.97 -0.06 0.51 -3.31 117.38 115.52 2krr n GLN 151 Ca -0.03 0.35 0.00 0.00 -2.00 0.00 0.00 57.00 55.32 2krr n GLN 151 Cb 0.45 -1.67 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 2krr n GLN 151 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2krr n GLY 152 N 1.55 0.85 3.88 1.69 0.00 -1.26 -4.94 105.19 106.96 2krr n GLY 152 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2krr n GLY 152 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2krr s THR 153 N -2.00 3.59 -0.07 2.61 -1.32 -1.21 -5.02 115.64 112.22 2krr s THR 153 Ca 0.00 0.52 0.04 0.00 -1.21 0.00 0.00 61.69 61.03 2krr s THR 153 Cb 0.00 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2krr s THR 153 CO 0.00 -0.67 -0.19 -1.61 -2.21 0.00 0.00 174.62 169.93 2krr s GLU 154 N -5.32 2.35 -0.03 7.08 2.02 -1.26 -3.32 118.70 120.22 2krr s GLU 154 Ca 0.58 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.89 2krr s GLU 154 Cb -0.11 -1.87 0.02 0.00 0.10 0.00 0.00 34.13 32.27 2krr s GLU 154 CO 0.52 0.16 -0.00 0.42 0.02 0.00 0.00 175.26 176.38 2krr s ILE 155 N 0.35 0.18 -1.68 -1.63 1.09 0.12 -4.79 121.20 114.83 2krr s ILE 155 Ca -0.14 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.48 2krr s ILE 155 Cb -0.16 -0.26 0.00 0.00 -1.06 0.00 0.00 42.46 40.98 2krr s ILE 155 CO 0.06 0.14 0.00 -0.67 -0.10 0.00 0.00 174.94 174.36 2krr n ASP 156 N 4.03 -4.98 0.00 3.58 2.03 -1.26 -1.85 116.55 118.09 2krr n ASP 156 Ca -0.26 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2krr n ASP 156 Cb 0.51 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 157 N -0.93 3.03 4.00 0.27 0.00 -1.26 -5.03 105.19 105.27 2krr n GLY 157 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2krr n GLY 157 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2krr s ARG 158 N -0.19 2.21 -0.30 1.61 1.70 -0.77 -5.05 118.95 118.15 2krr s ARG 158 Ca 0.00 -1.16 -0.07 0.00 -0.47 0.00 0.00 55.73 54.03 2krr s ARG 158 Cb 0.00 -2.50 0.01 0.00 -0.57 0.00 0.00 34.95 31.89 2krr s ARG 158 CO 0.00 -0.96 0.09 -1.12 -1.08 0.00 0.00 175.30 172.23 2krr s SER 159 N -4.59 5.19 0.18 -2.89 0.01 -1.26 0.12 113.70 110.46 2krr s SER 159 Ca 0.61 -0.69 -0.27 0.00 1.31 0.00 0.00 55.95 56.91 2krr s SER 159 Cb -0.07 -1.90 -0.08 0.00 0.21 0.00 0.00 66.02 64.18 2krr s SER 159 CO 0.40 -0.20 0.83 0.27 0.41 0.00 0.00 173.24 174.95 2krr s ILE 160 N 1.51 4.31 0.26 1.44 -4.36 -1.21 -4.87 121.20 118.28 2krr s ILE 160 Ca 0.03 1.83 0.10 0.00 -0.26 0.00 0.00 60.65 62.35 2krr s ILE 160 Cb -0.17 -4.20 -0.04 0.00 1.25 0.00 0.00 42.46 39.29 2krr s ILE 160 CO 0.03 0.50 -0.06 -0.44 0.24 0.00 0.00 174.94 175.20 2krr s SER 161 N -1.03 4.27 0.03 4.36 0.01 -0.95 -4.43 113.70 115.97 2krr s SER 161 Ca 0.38 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.97 2krr s SER 161 Cb -0.24 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 2krr s SER 161 CO 0.28 0.02 -0.19 -0.76 0.41 0.00 0.00 173.24 173.00 2krr s LEU 162 N -3.53 2.15 -0.15 2.44 1.43 -1.26 -1.87 118.68 117.90 2krr s LEU 162 Ca 0.30 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2krr s LEU 162 Cb -0.06 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.33 2krr s LEU 162 CO 0.18 0.14 0.33 -0.31 0.23 0.00 0.00 176.35 176.92 2krr s TYR 163 N -0.76 -0.52 0.30 0.29 2.02 1.00 -4.98 117.35 114.70 2krr s TYR 163 Ca 0.06 1.12 -0.29 0.00 -0.37 0.00 0.00 57.07 57.59 2krr s TYR 163 Cb -0.08 0.13 -0.10 0.00 -0.40 0.00 0.00 41.96 41.50 2krr s TYR 163 CO 0.01 -0.35 1.28 1.52 -1.57 0.00 0.00 175.55 176.44 2krr s TYR 164 N 1.95 3.17 -0.30 2.71 -0.85 -1.26 0.08 117.35 122.85 2krr s TYR 164 Ca -0.04 1.42 -0.18 0.00 -0.52 0.00 0.00 57.07 57.75 2krr s TYR 164 Cb -0.11 -3.61 0.20 0.00 0.38 0.00 0.00 41.96 38.82 2krr s TYR 164 CO -0.10 -1.67 1.26 -0.08 -1.52 0.00 0.00 175.55 173.43 2krr s THR 165 N -0.91 -0.06 0.00 -3.49 -1.32 -1.07 -4.83 115.64 103.97 2krr s THR 165 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2krr s THR 165 Cb -0.38 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2krr s THR 165 CO 0.48 0.00 0.09 0.61 -2.21 0.00 0.00 174.62 173.60 2krr n GLY 166 N 4.01 0.53 1.35 6.08 0.00 -0.88 -4.57 105.19 111.70 2krr n GLY 166 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2krr n GLY 166 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2krr n GLU 167 N -0.55 -2.94 -1.49 1.61 0.28 -1.26 -4.87 120.64 111.43 2krr n GLU 167 Ca 0.00 2.36 -0.32 0.00 -0.16 0.00 0.00 57.16 59.04 2krr n GLU 167 Cb 0.02 -3.31 0.07 0.00 1.43 0.00 0.00 31.44 29.65 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2krr s PRO 168 N -4.73 2.50 0.00 3.44 0.04 -1.26 -4.85 135.00 130.14 2krr s PRO 168 Ca 0.00 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2krr s PRO 168 Cb 0.00 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2krr s PRO 168 CO 0.00 -1.47 0.85 0.87 0.04 0.00 0.00 177.00 177.29 2krr h LYS 169 N -0.59 -0.02 0.00 4.56 1.57 -2.02 -3.47 116.57 116.60 2krr h LYS 169 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2krr h LYS 169 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2krr h LYS 169 CO 0.53 -0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.80 2krr n GLY 170 N -0.52 2.61 0.29 3.86 0.00 -1.26 -4.90 105.19 105.26 2krr n GLY 170 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2krr n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2krr h GLU 171 N 2.44 0.50 0.00 1.61 4.11 -1.99 -3.34 114.58 117.91 2krr h GLU 171 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2krr h GLU 171 Cb 0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2krr h GLU 171 CO 0.00 0.33 -0.27 0.41 0.07 0.00 0.00 179.01 179.55 2krr n GLY 172 N -1.32 0.78 0.23 1.06 0.00 -1.26 -4.92 105.19 99.76 2krr n GLY 172 Ca 0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2krr n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2krr h LEU 173 N 0.07 0.93 -1.47 0.99 3.38 -1.95 -3.54 115.31 113.72 2krr h LEU 173 Ca -0.08 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2krr h LEU 173 Cb 1.24 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2krr h LEU 173 CO -0.03 1.35 0.00 -0.62 0.09 0.00 0.00 178.44 179.23