#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr n THR 2 N 0.00 -5.88 0.07 2.61 -1.04 -1.26 -4.92 114.28 103.87 2krr n THR 2 Ca 0.00 -0.90 -0.13 0.00 -2.04 0.00 0.00 64.05 60.98 2krr n THR 2 Cb 0.00 -4.43 -0.09 0.00 -1.82 0.00 0.00 70.33 63.99 2krr n THR 2 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2krr h GLU 3 N -1.76 -0.18 -7.39 -2.82 3.07 -2.02 -3.45 114.58 100.03 2krr h GLU 3 Ca -0.64 0.01 -0.42 0.00 -0.50 0.00 0.00 59.36 57.81 2krr h GLU 3 Cb 1.35 0.04 0.19 0.00 -0.84 0.00 0.00 28.75 29.49 2krr h GLU 3 CO 0.50 0.15 0.14 -1.25 -1.40 0.00 0.00 179.01 177.15 2krr s PRO 4 N -4.76 -0.94 -0.27 2.33 0.04 -1.26 -5.03 135.00 125.11 2krr s PRO 4 Ca -0.15 0.04 -0.05 0.00 0.04 0.00 0.00 61.00 60.88 2krr s PRO 4 Cb 0.03 -1.62 -0.15 0.00 0.04 0.00 0.00 34.50 32.80 2krr s PRO 4 CO 0.61 -3.55 -0.28 0.25 0.04 0.00 0.00 177.00 174.07 2krr n THR 5 N -4.66 1.49 -3.88 1.26 -2.24 -1.26 -5.03 114.28 99.96 2krr n THR 5 Ca 0.12 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 2krr n THR 5 Cb 0.59 -1.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 2krr n THR 5 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2krr s THR 6 N -2.51 1.99 -0.67 4.28 -1.32 -1.26 -5.02 115.64 111.13 2krr s THR 6 Ca -0.36 -1.51 0.25 0.00 -1.21 0.00 0.00 61.69 58.86 2krr s THR 6 Cb 0.12 -2.50 0.30 0.00 -1.51 0.00 0.00 72.50 68.90 2krr s THR 6 CO 0.54 0.00 1.73 0.00 -2.21 0.00 0.00 174.62 174.69 2krr h ALA 7 N 0.96 0.99 -1.78 11.08 0.00 -1.95 -3.43 119.26 125.14 2krr h ALA 7 Ca -0.39 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 2krr h ALA 7 Cb 1.28 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 2krr h ALA 7 CO 0.60 0.00 0.57 -0.06 0.00 0.00 0.00 179.25 180.36 2krr s PHE 8 N -3.12 2.76 0.01 0.00 0.08 -1.26 -4.99 117.98 111.46 2krr s PHE 8 Ca 0.10 -0.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 2krr s PHE 8 Cb 0.11 -4.12 0.02 0.00 -0.57 0.00 0.00 43.02 38.46 2krr s PHE 8 CO 0.61 -1.41 0.31 -0.80 -0.10 0.00 0.00 175.22 173.83 2krr s ASN 9 N 2.99 -0.16 0.07 1.36 -0.87 -1.26 -1.17 114.94 115.89 2krr s ASN 9 Ca 0.29 -0.04 0.01 0.00 -1.57 0.00 0.00 52.86 51.56 2krr s ASN 9 Cb -0.13 0.34 -0.04 0.00 -0.02 0.00 0.00 41.25 41.40 2krr s ASN 9 CO 0.18 -0.53 -0.06 -1.48 -2.57 0.00 0.00 177.10 172.63 2krr s LEU 10 N -1.68 2.41 -0.32 0.60 0.05 -0.65 -4.84 118.68 114.25 2krr s LEU 10 Ca -0.09 -0.84 -0.20 0.00 0.05 0.00 0.00 54.13 53.05 2krr s LEU 10 Cb -0.03 -0.06 -0.01 0.00 -2.05 0.00 0.00 46.19 44.04 2krr s LEU 10 CO 0.01 -0.39 0.61 0.12 -0.55 0.00 0.00 176.35 176.15 2krr s PHE 11 N -2.83 3.20 0.17 3.48 2.19 0.24 -1.56 117.98 122.86 2krr s PHE 11 Ca 0.03 0.49 0.04 0.00 0.33 0.00 0.00 56.93 57.82 2krr s PHE 11 Cb -0.00 -3.00 -0.04 0.00 -1.31 0.00 0.00 43.02 38.67 2krr s PHE 11 CO -0.04 -0.50 0.23 0.14 1.83 0.00 0.00 175.22 176.88 2krr s VAL 12 N 2.59 4.98 0.25 3.12 -7.23 0.89 0.11 120.40 125.11 2krr s VAL 12 Ca 0.24 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 2krr s VAL 12 Cb -0.15 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2krr s VAL 12 CO 0.12 -0.13 0.33 -0.83 -0.31 0.00 0.00 175.10 174.29 2krr s GLY 13 N -3.27 1.12 -1.15 2.32 0.00 0.76 -1.14 107.32 105.97 2krr s GLY 13 Ca 0.33 -1.36 -0.10 0.00 0.00 0.00 0.00 44.72 43.60 2krr s GLY 13 CO 0.27 -1.03 0.83 -2.01 0.00 0.00 0.00 173.10 171.16 2krr n ASN 14 N -0.55 -4.68 -1.38 1.64 5.15 0.13 -0.32 115.26 115.25 2krr n ASN 14 Ca 0.01 -0.84 0.11 0.00 -0.60 0.00 0.00 54.58 53.26 2krr n ASN 14 Cb 0.63 -4.30 0.32 0.00 -0.53 0.00 0.00 39.78 35.91 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 -3.85 4.13 -1.37 1.20 4.77 -0.45 -3.04 117.00 118.40 2krr n LEU 15 Ca -0.14 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2krr n LEU 15 Cb 0.63 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2krr n LEU 15 CO 0.64 0.92 -0.35 -3.20 -1.33 0.00 0.00 177.39 174.08 2krr n ASN 16 N 1.42 -7.41 -3.74 -1.43 5.15 -1.26 -4.87 115.26 103.13 2krr n ASN 16 Ca 0.24 0.98 -0.35 0.00 -0.60 0.00 0.00 54.58 54.86 2krr n ASN 16 Cb 0.69 -3.42 -0.04 0.00 -0.53 0.00 0.00 39.78 36.48 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 0.29 3.15 0.00 1.20 -1.74 -1.20 -4.47 117.46 114.69 2krr n PHE 17 Ca 0.00 -3.52 0.00 0.00 -0.56 0.00 0.00 57.45 53.37 2krr n PHE 17 Cb 0.00 -0.91 0.00 0.00 1.52 0.00 0.00 39.48 40.09 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 1.21 2.75 -4.21 5.98 3.02 -1.26 -5.03 115.26 117.72 2krr n ASN 18 Ca 0.27 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 2krr n ASN 18 Cb 0.37 0.05 0.13 0.00 -0.61 0.00 0.00 39.78 39.72 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 -2.05 -0.28 -0.96 3.52 4.76 -1.26 -5.08 118.16 116.80 2krr n LYS 19 Ca 0.00 -2.37 -0.29 0.00 -2.87 0.00 0.00 58.31 52.79 2krr n LYS 19 Cb 0.33 -0.74 0.22 0.00 -1.84 0.00 0.00 35.03 33.00 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 -4.87 1.59 0.01 4.39 0.01 -1.26 -4.92 113.70 108.64 2krr s SER 20 Ca 0.62 1.11 -0.25 0.00 1.31 0.00 0.00 55.95 58.74 2krr s SER 20 Cb -0.03 -1.70 -0.14 0.00 0.21 0.00 0.00 66.02 64.36 2krr s SER 20 CO 0.42 -3.77 1.05 0.00 0.41 0.00 0.00 173.24 171.35 2krr h ALA 21 N -2.33 -0.92 0.00 1.44 0.00 -1.98 -3.09 119.26 112.38 2krr h ALA 21 Ca -0.54 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2krr h ALA 21 Cb 1.33 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2krr h ALA 21 CO 0.50 -0.86 0.00 -0.35 0.00 0.00 0.00 179.25 178.54 2krr n PRO 22 N -5.29 0.13 0.13 0.00 -0.04 -1.26 -2.15 135.00 126.52 2krr n PRO 22 Ca -0.11 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2krr n PRO 22 Cb 0.36 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.49 2krr n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2krr h GLU 23 N 0.00 0.00 0.09 0.54 4.57 -1.91 -3.30 114.58 114.57 2krr h GLU 23 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 2krr h GLU 23 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2krr h GLU 23 CO 0.00 0.00 -1.29 -0.07 -1.18 0.00 0.00 179.01 176.47 2krr h LEU 24 N 0.00 0.30 -0.88 1.64 3.38 -1.38 -3.32 115.31 115.04 2krr h LEU 24 Ca 0.00 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.79 2krr h LEU 24 Cb 0.90 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 2krr h LEU 24 CO 0.00 1.28 0.45 0.11 0.09 0.00 0.00 178.44 180.37 2krr h LYS 25 N 0.05 0.56 0.61 1.13 1.57 -1.67 -1.09 116.57 117.73 2krr h LYS 25 Ca -0.14 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2krr h LYS 25 Cb 1.94 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 2krr h LYS 25 CO 0.17 0.37 -0.45 1.15 -0.57 0.00 0.00 179.45 180.12 2krr h THR 26 N 0.58 0.00 -0.39 -0.16 2.02 -1.74 -1.33 112.91 111.90 2krr h THR 26 Ca 0.51 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.76 2krr h THR 26 Cb 0.80 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 2krr h THR 26 CO -0.41 0.00 -0.06 1.23 0.37 0.00 0.00 175.52 176.65 2krr h GLY 27 N -1.01 0.32 0.14 2.16 0.00 -1.58 0.31 103.07 103.41 2krr h GLY 27 Ca -0.08 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2krr h GLY 27 CO 0.03 -0.13 -0.16 -2.22 0.00 0.00 0.00 176.54 174.06 2krr h ILE 28 N 0.04 0.49 0.00 2.60 2.04 -1.10 0.14 117.51 121.72 2krr h ILE 28 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2krr h ILE 28 Cb 0.28 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2krr h ILE 28 CO -0.37 0.00 0.00 0.28 0.00 0.00 0.00 178.15 178.06 2krr h SER 29 N -0.11 0.00 0.55 1.72 0.02 -0.66 -3.22 113.55 111.86 2krr h SER 29 Ca 0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2krr h SER 29 Cb 0.38 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.92 2krr h SER 29 CO -0.42 0.00 -0.26 -0.78 -1.14 0.00 0.00 176.83 174.23 2krr h ASP 30 N 0.00 -0.63 -1.00 3.07 1.82 0.23 -0.47 116.42 119.45 2krr h ASP 30 Ca 0.00 0.00 0.22 0.00 -0.39 0.00 0.00 57.03 56.87 2krr h ASP 30 Cb 0.59 0.16 -0.10 0.00 0.68 0.00 0.00 39.33 40.66 2krr h ASP 30 CO 0.00 -0.22 0.62 1.62 -1.61 0.00 0.00 179.24 179.65 2krr h VAL 31 N -1.18 0.62 -0.04 2.25 3.04 -1.31 0.25 116.25 119.88 2krr h VAL 31 Ca -0.08 -0.20 -0.17 0.00 -1.01 0.00 0.00 66.70 65.24 2krr h VAL 31 Cb 0.58 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.83 2krr h VAL 31 CO 0.12 0.11 -0.74 -0.26 -1.01 0.00 0.00 177.57 175.79 2krr h PHE 32 N 0.59 0.34 -0.48 3.17 0.04 -1.56 -3.13 116.94 115.92 2krr h PHE 32 Ca 0.59 -0.16 0.05 0.00 2.80 0.00 0.00 57.97 61.25 2krr h PHE 32 Cb 1.16 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 2krr h PHE 32 CO -0.00 0.90 0.32 0.00 -0.60 0.00 0.00 178.31 178.92 2krr h ALA 33 N 1.06 1.86 0.00 2.45 0.00 0.12 0.63 119.26 125.38 2krr h ALA 33 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2krr h ALA 33 Cb 1.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2krr h ALA 33 CO 0.12 0.07 -0.04 1.57 0.00 0.00 0.00 179.25 180.96 2krr h LYS 34 N 0.46 0.00 -0.83 0.00 2.10 -1.41 -3.07 116.57 113.82 2krr h LYS 34 Ca 0.20 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.70 2krr h LYS 34 Cb 0.21 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.46 2krr h LYS 34 CO -0.05 0.04 0.19 0.09 -2.00 0.00 0.00 179.45 177.72 2krr n ASN 35 N -3.12 3.94 -2.04 7.07 3.02 0.07 -4.85 115.26 119.35 2krr n ASN 35 Ca 0.03 -2.83 -0.20 0.00 -0.03 0.00 0.00 54.58 51.55 2krr n ASN 35 Cb 0.47 -0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.01 -5.68 -4.55 6.41 9.92 -1.16 -4.96 116.55 116.52 2krr n ASP 36 Ca 0.28 0.18 -0.35 0.00 -0.53 0.00 0.00 54.79 54.37 2krr n ASP 36 Cb 1.07 -4.80 -0.11 0.00 -0.64 0.00 0.00 41.12 36.63 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 -5.41 3.61 -0.45 0.64 1.43 -0.38 -5.03 118.68 113.09 2krr s LEU 37 Ca 0.00 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 2krr s LEU 37 Cb 0.00 -1.93 0.11 0.00 0.03 0.00 0.00 46.19 44.40 2krr s LEU 37 CO 0.00 0.10 0.31 0.00 0.23 0.00 0.00 176.35 176.99 2krr s ALA 38 N 0.84 3.35 0.04 4.21 0.00 -1.26 -3.47 121.76 125.46 2krr s ALA 38 Ca 0.03 -2.44 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 2krr s ALA 38 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2krr s ALA 38 CO 0.02 -1.83 0.93 0.14 0.00 0.00 0.00 175.76 175.03 2krr s VAL 39 N 1.36 4.74 -0.10 0.00 -7.23 -1.26 -2.64 120.40 115.26 2krr s VAL 39 Ca 0.05 1.98 0.14 0.00 -1.81 0.00 0.00 61.98 62.34 2krr s VAL 39 Cb -0.25 -4.28 -0.00 0.00 0.56 0.00 0.00 36.38 32.41 2krr s VAL 39 CO -0.00 0.24 1.37 -0.37 -0.31 0.00 0.00 175.10 176.03 2krr h VAL 40 N 4.46 0.99 -2.09 1.32 -1.51 -1.11 -3.47 116.25 114.85 2krr h VAL 40 Ca -0.42 -2.43 0.14 0.00 -1.23 0.00 0.00 66.70 62.76 2krr h VAL 40 Cb 1.21 2.48 -0.16 0.00 -2.13 0.00 0.00 31.29 32.69 2krr h VAL 40 CO 0.73 0.57 0.56 -0.62 -1.23 0.00 0.00 177.57 177.58 2krr s ASP 41 N -6.46 -0.32 -0.02 4.19 2.15 -1.22 -4.97 116.67 110.02 2krr s ASP 41 Ca 0.03 0.02 -0.02 0.00 0.43 0.00 0.00 52.55 53.01 2krr s ASP 41 Cb 0.08 0.33 0.01 0.00 -0.30 0.00 0.00 42.92 43.04 2krr s ASP 41 CO 0.76 -0.53 0.05 -0.69 -0.17 0.00 0.00 175.17 174.59 2krr s VAL 42 N -2.89 -0.01 0.06 1.11 1.01 -1.26 -0.71 120.40 117.71 2krr s VAL 42 Ca 0.05 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.16 2krr s VAL 42 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 2krr s VAL 42 CO -0.08 0.01 -0.24 -0.60 0.00 0.00 0.00 175.10 174.20 2krr s ARG 43 N 0.21 1.55 -0.02 2.72 3.52 -0.16 -4.95 118.95 121.82 2krr s ARG 43 Ca -0.02 -1.08 0.05 0.00 -0.13 0.00 0.00 55.73 54.56 2krr s ARG 43 Cb -0.02 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.61 2krr s ARG 43 CO -0.01 0.44 -0.17 0.42 -0.81 0.00 0.00 175.30 175.18 2krr s ILE 44 N -0.86 1.36 0.97 4.11 1.09 -1.26 -0.26 121.20 126.36 2krr s ILE 44 Ca 0.10 -0.72 -0.16 0.00 -1.10 0.00 0.00 60.65 58.77 2krr s ILE 44 Cb -0.10 -1.15 0.25 0.00 -1.06 0.00 0.00 42.46 40.41 2krr s ILE 44 CO 0.03 0.39 0.68 0.61 -0.10 0.00 0.00 174.94 176.54 2krr n GLY 45 N 2.81 -3.39 0.02 6.18 0.00 0.91 -4.89 105.19 106.84 2krr n GLY 45 Ca -0.16 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.64 2krr n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2krr n MET 46 N -4.35 0.06 0.00 1.61 0.00 -1.26 -3.15 117.12 110.03 2krr n MET 46 Ca 0.10 0.04 0.11 0.00 0.00 0.00 0.00 57.70 57.95 2krr n MET 46 Cb 0.42 -1.56 -0.01 0.00 0.00 0.00 0.00 33.22 32.07 2krr n MET 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2krr n THR 47 N -1.65 0.00 -1.63 3.17 5.66 -1.26 -4.95 114.28 113.61 2krr n THR 47 Ca 0.06 -0.03 -0.20 0.00 -3.05 0.00 0.00 64.05 60.83 2krr n THR 47 Cb 0.36 0.83 -0.08 0.00 -1.55 0.00 0.00 70.33 69.89 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 -1.34 -1.43 0.00 1.09 3.00 -1.19 -4.64 116.66 112.15 2krr n ARG 48 Ca 0.05 1.21 0.05 0.00 -0.01 0.00 0.00 57.85 59.15 2krr n ARG 48 Cb 0.34 -5.59 -0.05 0.00 0.00 0.00 0.00 32.46 27.17 2krr n ARG 48 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2krr n LYS 49 N -2.43 3.43 -3.89 5.56 -0.00 -1.26 -3.22 118.16 116.34 2krr n LYS 49 Ca -0.21 -0.09 -0.11 0.00 -0.00 0.00 0.00 58.31 57.91 2krr n LYS 49 Cb 0.67 -0.99 0.00 0.00 -0.00 0.00 0.00 35.03 34.71 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2krr s PHE 50 N -1.87 0.40 -2.39 5.58 -0.12 -1.26 0.20 117.98 118.51 2krr s PHE 50 Ca 0.05 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 55.99 2krr s PHE 50 Cb 0.08 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 43.03 2krr s PHE 50 CO 0.39 -1.44 0.00 0.41 -0.05 0.00 0.00 175.22 174.54 2krr n GLY 51 N -0.54 -0.61 3.16 1.99 0.00 -0.29 -0.06 105.19 108.85 2krr n GLY 51 Ca -0.05 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.59 0.86 -0.03 1.61 1.51 0.65 -0.07 117.35 118.28 2krr s TYR 52 Ca 0.00 -0.99 -0.00 0.00 -1.01 0.00 0.00 57.07 55.07 2krr s TYR 52 Cb 0.00 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.36 2krr s TYR 52 CO 0.00 -0.24 0.01 0.08 -1.11 0.00 0.00 175.55 174.29 2krr s VAL 53 N -3.73 0.14 -0.16 0.71 1.01 -0.60 -0.99 120.40 116.79 2krr s VAL 53 Ca 0.14 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 2krr s VAL 53 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2krr s VAL 53 CO -0.04 0.15 0.08 -1.81 0.00 0.00 0.00 175.10 173.49 2krr s ASP 54 N 1.22 5.85 0.02 3.32 1.01 0.11 -1.64 116.67 126.57 2krr s ASP 54 Ca -0.07 0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.43 2krr s ASP 54 Cb -0.13 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 2krr s ASP 54 CO -0.02 0.25 -0.08 -0.36 0.21 0.00 0.00 175.17 175.17 2krr s PHE 55 N -0.09 2.85 0.37 4.23 0.40 -0.32 -0.53 117.98 124.89 2krr s PHE 55 Ca 0.08 -0.07 0.13 0.00 -0.60 0.00 0.00 56.93 56.46 2krr s PHE 55 Cb -0.12 -1.57 0.94 0.00 0.51 0.00 0.00 43.02 42.78 2krr s PHE 55 CO 0.01 0.38 1.81 0.93 0.70 0.00 0.00 175.22 179.05 2krr h GLU 56 N 4.34 0.55 0.00 0.44 5.08 -1.83 -3.41 114.58 119.75 2krr h GLU 56 Ca -0.48 -0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 57.36 2krr h GLU 56 Cb 1.17 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 30.18 2krr h GLU 56 CO 0.53 0.36 -0.42 0.43 -1.00 0.00 0.00 179.01 178.91 2krr n SER 57 N -4.62 0.67 0.13 1.42 7.64 -1.26 -4.97 113.62 112.62 2krr n SER 57 Ca 0.22 -2.97 0.04 0.00 1.01 0.00 0.00 58.87 57.17 2krr n SER 57 Cb 0.66 1.10 0.02 0.00 -1.01 0.00 0.00 64.21 64.98 2krr n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2krr h ALA 58 N 1.71 0.70 0.82 -0.43 0.00 -1.96 -3.30 119.26 116.80 2krr h ALA 58 Ca -0.27 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 58 Cb 1.09 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2krr h ALA 58 CO 0.41 0.53 -0.39 0.93 0.00 0.00 0.00 179.25 180.73 2krr h GLU 59 N 0.00 -1.06 -0.02 0.00 5.08 -1.97 -0.42 114.58 116.19 2krr h GLU 59 Ca -0.04 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2krr h GLU 59 Cb 1.33 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 2krr h GLU 59 CO 0.05 -0.69 0.07 -0.44 -1.00 0.00 0.00 179.01 176.99 2krr h ASP 60 N -1.18 0.00 0.05 1.42 3.32 -1.97 0.79 116.42 118.85 2krr h ASP 60 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2krr h ASP 60 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2krr h ASP 60 CO 0.18 0.00 -0.02 0.25 -1.72 0.00 0.00 179.24 177.93 2krr h LEU 61 N 0.00 -0.06 -0.42 1.55 6.46 -1.53 -3.06 115.31 118.25 2krr h LEU 61 Ca 0.01 -0.55 -0.06 0.00 -0.12 0.00 0.00 57.88 57.16 2krr h LEU 61 Cb 0.15 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 2krr h LEU 61 CO -0.00 0.66 0.01 1.05 -0.62 0.00 0.00 178.44 179.54 2krr h GLU 62 N -0.93 0.74 -0.61 1.25 4.11 -0.61 -3.06 114.58 115.47 2krr h GLU 62 Ca -0.01 -0.23 0.10 0.00 0.07 0.00 0.00 59.36 59.30 2krr h GLU 62 Cb 0.60 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 2krr h GLU 62 CO 0.01 0.81 0.18 0.87 0.07 0.00 0.00 179.01 180.95 2krr h LYS 63 N 0.57 0.32 -0.05 1.06 6.56 -1.00 0.27 116.57 124.31 2krr h LYS 63 Ca 0.12 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.70 2krr h LYS 63 Cb 0.47 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2krr h LYS 63 CO 0.02 0.21 0.14 0.00 -2.06 0.00 0.00 179.45 177.76 2krr h ALA 64 N 1.45 1.33 0.00 3.86 0.00 -1.43 0.35 119.26 124.82 2krr h ALA 64 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2krr h ALA 64 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2krr h ALA 64 CO -0.36 -0.16 0.00 -0.07 0.00 0.00 0.00 179.25 178.66 2krr h LEU 65 N 0.00 0.00 0.00 0.00 3.38 -0.47 -3.19 115.31 115.03 2krr h LEU 65 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2krr h LEU 65 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2krr h LEU 65 CO -0.00 0.00 -0.55 -1.84 0.09 0.00 0.00 178.44 176.14 2krr n GLU 66 N -2.68 3.72 -0.53 1.13 0.28 0.92 -5.05 120.64 118.44 2krr n GLU 66 Ca 0.03 -0.02 -0.27 0.00 -0.16 0.00 0.00 57.16 56.75 2krr n GLU 66 Cb 0.39 -0.87 0.19 0.00 1.43 0.00 0.00 31.44 32.59 2krr n GLU 66 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2krr n LEU 67 N -1.30 -1.65 -3.94 -1.84 4.77 0.54 -5.05 117.00 108.54 2krr n LEU 67 Ca 0.00 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.55 2krr n LEU 67 Cb 0.10 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.19 2krr n LEU 67 CO 0.11 -3.41 -0.19 0.28 -1.33 0.00 0.00 177.39 172.85 2krr s THR 68 N -2.17 0.16 -1.05 -5.08 -1.32 -1.26 -4.88 115.64 100.04 2krr s THR 68 Ca 0.52 -1.34 -0.00 0.00 -1.21 0.00 0.00 61.69 59.66 2krr s THR 68 Cb -0.11 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 2krr s THR 68 CO 0.53 -0.74 0.01 0.61 -2.21 0.00 0.00 174.62 172.82 2krr n GLY 69 N 0.14 -0.13 3.44 6.08 0.00 -1.26 -4.96 105.19 108.50 2krr n GLY 69 Ca -0.15 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.56 4.71 0.16 0.99 1.43 -1.26 -5.00 118.68 116.15 2krr s LEU 70 Ca 0.01 -1.28 0.03 0.00 -1.03 0.00 0.00 54.13 51.86 2krr s LEU 70 Cb -0.00 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 2krr s LEU 70 CO 0.01 -1.31 -0.06 -1.59 0.23 0.00 0.00 176.35 173.63 2krr s LYS 71 N 3.53 1.08 -0.15 1.70 0.00 -1.26 -2.74 119.74 121.90 2krr s LYS 71 Ca 0.22 -1.49 -0.10 0.00 0.00 0.00 0.00 55.97 54.61 2krr s LYS 71 Cb -0.16 -0.50 0.05 0.00 0.00 0.00 0.00 37.83 37.22 2krr s LYS 71 CO 0.06 -0.00 0.36 0.08 0.00 0.00 0.00 175.35 175.85 2krr s VAL 72 N -3.44 -0.02 -1.52 1.79 1.01 0.14 -4.71 120.40 113.64 2krr s VAL 72 Ca 0.19 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 2krr s VAL 72 Cb 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2krr s VAL 72 CO 0.02 0.03 0.71 0.49 0.00 0.00 0.00 175.10 176.34 2krr n PHE 73 N 3.80 -2.12 0.00 5.22 3.72 -1.26 -2.29 117.46 124.53 2krr n PHE 73 Ca -0.20 0.61 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 2krr n PHE 73 Cb 0.56 -4.52 0.00 0.00 -0.94 0.00 0.00 39.48 34.58 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 -1.60 2.02 3.80 1.37 0.00 -1.26 -4.99 105.19 104.53 2krr n GLY 74 Ca -0.09 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 5.02 -0.35 1.61 0.01 -0.97 -5.02 114.94 115.23 2krr s ASN 75 Ca 0.00 1.68 -0.11 0.00 -0.71 0.00 0.00 52.86 53.73 2krr s ASN 75 Cb 0.00 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.18 2krr s ASN 75 CO 0.00 -1.69 0.19 -0.70 -1.51 0.00 0.00 177.10 173.40 2krr s GLU 76 N -4.99 3.02 1.04 -0.60 2.12 -1.26 0.23 118.70 118.25 2krr s GLU 76 Ca 0.59 -0.95 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 2krr s GLU 76 Cb -0.15 -3.69 0.21 0.00 0.26 0.00 0.00 34.13 30.76 2krr s GLU 76 CO 0.55 -0.60 1.08 0.96 -0.54 0.00 0.00 175.26 176.71 2krr s ILE 77 N 1.58 1.99 -0.05 -3.70 -5.25 -1.11 -4.77 121.20 109.90 2krr s ILE 77 Ca 0.03 0.00 -0.01 0.00 -0.99 0.00 0.00 60.65 59.68 2krr s ILE 77 Cb -0.18 -2.43 0.03 0.00 2.95 0.00 0.00 42.46 42.82 2krr s ILE 77 CO 0.07 0.00 0.02 -0.54 -1.79 0.00 0.00 174.94 172.70 2krr s LYS 78 N -4.91 0.25 -0.05 0.37 -0.14 0.56 -4.85 119.74 110.97 2krr s LYS 78 Ca 0.66 0.21 -0.18 0.00 -1.36 0.00 0.00 55.97 55.30 2krr s LYS 78 Cb -0.19 -0.65 -0.05 0.00 -1.68 0.00 0.00 37.83 35.26 2krr s LYS 78 CO 0.59 -0.27 0.49 -0.51 -0.76 0.00 0.00 175.35 174.88 2krr s LEU 79 N 1.79 4.38 0.00 3.17 1.43 -1.26 -0.17 118.68 128.02 2krr s LEU 79 Ca 0.01 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 2krr s LEU 79 Cb -0.12 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 2krr s LEU 79 CO -0.03 0.13 0.21 -0.62 0.23 0.00 0.00 176.35 176.27 2krr n GLU 80 N 2.81 0.31 -4.74 1.70 1.02 0.30 -4.98 120.64 117.06 2krr n GLU 80 Ca -0.09 -1.70 -0.33 0.00 -0.02 0.00 0.00 57.16 55.01 2krr n GLU 80 Cb 0.52 1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 33.31 2krr n GLU 80 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2krr s LYS 81 N -2.60 3.06 0.26 3.49 -2.85 -1.26 -0.59 119.74 119.24 2krr s LYS 81 Ca 0.19 -0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 54.48 2krr s LYS 81 Cb 0.00 -2.59 0.06 0.00 -2.06 0.00 0.00 37.83 33.25 2krr s LYS 81 CO 0.14 0.41 0.23 -0.35 0.10 0.00 0.00 175.35 175.88 2krr n PRO 82 N 2.95 -1.46 -3.57 1.78 -0.04 -1.26 -4.82 135.00 128.58 2krr n PRO 82 Ca -0.18 -0.36 -0.14 0.00 -0.04 0.00 0.00 63.50 62.78 2krr n PRO 82 Cb 0.53 -0.34 -0.06 0.00 -0.04 0.00 0.00 33.50 33.58 2krr n PRO 82 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2krr s LYS 83 N -3.52 0.79 -0.31 0.54 2.47 -1.26 -5.06 119.74 113.38 2krr s LYS 83 Ca 0.15 0.36 -0.11 0.00 -1.56 0.00 0.00 55.97 54.80 2krr s LYS 83 Cb -0.01 0.37 0.19 0.00 -1.46 0.00 0.00 37.83 36.92 2krr s LYS 83 CO 0.11 -0.21 1.08 0.20 0.16 0.00 0.00 175.35 176.69 2krr s GLY 84 N -0.77 -1.37 -0.30 5.54 0.00 -1.26 -5.15 107.32 104.01 2krr s GLY 84 Ca -0.04 1.60 -0.19 0.00 0.00 0.00 0.00 44.72 46.09 2krr s GLY 84 CO 0.04 4.29 1.26 -1.59 0.00 0.00 0.00 173.10 177.10 2krr s LYS 85 N 2.26 0.04 -0.14 2.90 -2.85 -1.26 -5.18 119.74 115.50 2krr s LYS 85 Ca 0.19 0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 2krr s LYS 85 Cb 0.02 0.05 0.12 0.00 -2.06 0.00 0.00 37.83 35.96 2krr s LYS 85 CO -0.17 -0.03 0.97 0.34 0.10 0.00 0.00 175.35 176.56 2krr s ASP 86 N 2.47 -0.38 0.22 0.03 -1.08 -1.26 -5.04 116.67 111.63 2krr s ASP 86 Ca -0.04 0.40 0.20 0.00 -0.52 0.00 0.00 52.55 52.59 2krr s ASP 86 Cb -0.04 0.32 0.04 0.00 -1.46 0.00 0.00 42.92 41.78 2krr s ASP 86 CO -0.12 -0.37 1.15 0.77 0.52 0.00 0.00 175.17 177.11 2krr h SER 87 N 2.55 0.00 -0.02 -0.34 4.64 -2.04 -3.31 113.55 115.03 2krr h SER 87 Ca -0.19 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.14 2krr h SER 87 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2krr h SER 87 CO 0.31 0.19 0.07 0.11 -0.87 0.00 0.00 176.83 176.64 2krr h LYS 88 N 0.00 0.00 -0.01 4.77 1.57 -2.04 -0.76 116.57 120.10 2krr h LYS 88 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2krr h LYS 88 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2krr h LYS 88 CO 0.02 0.00 0.05 0.87 -0.57 0.00 0.00 179.45 179.82 2krr h LYS 89 N 0.00 0.00 0.28 3.15 1.57 -1.94 -2.86 116.57 116.76 2krr h LYS 89 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2krr h LYS 89 Cb 0.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2krr h LYS 89 CO -0.00 0.00 -0.49 1.49 -0.57 0.00 0.00 179.45 179.88 2krr h GLU 90 N 0.00 -0.79 -0.13 3.15 4.81 -1.41 0.12 114.58 120.33 2krr h GLU 90 Ca 0.01 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2krr h GLU 90 Cb 0.11 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2krr h GLU 90 CO -0.00 -0.53 -0.30 0.07 -0.73 0.00 0.00 179.01 177.52 2krr h ARG 91 N -0.82 0.25 0.00 1.92 0.11 -1.74 -2.02 114.38 112.07 2krr h ARG 91 Ca -0.03 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.96 2krr h ARG 91 Cb 0.77 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2krr h ARG 91 CO -0.18 0.53 0.00 -0.25 0.10 0.00 0.00 179.97 180.17 2krr n ASP 92 N -4.12 0.10 0.00 0.08 9.92 -0.89 -2.35 116.55 119.28 2krr n ASP 92 Ca -0.01 0.52 0.08 0.00 -0.53 0.00 0.00 54.79 54.85 2krr n ASP 92 Cb 0.40 -0.54 0.36 0.00 -0.64 0.00 0.00 41.12 40.69 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krr n ALA 93 N -1.54 1.76 -0.03 2.24 0.00 0.38 -0.40 120.51 122.92 2krr n ALA 93 Ca 0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2krr n ALA 93 Cb 0.19 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2krr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2krr h ARG 94 N 0.00 -0.31 -5.62 0.00 2.43 -1.65 -3.38 114.38 105.85 2krr h ARG 94 Ca 0.00 0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.52 2krr h ARG 94 Cb 0.29 0.07 -0.26 0.00 -0.42 0.00 0.00 29.97 29.65 2krr h ARG 94 CO 0.00 -0.20 -0.77 0.99 -1.51 0.00 0.00 179.97 178.48 2krr s THR 95 N -6.04 3.05 0.31 0.20 2.01 -1.23 -3.35 115.64 110.60 2krr s THR 95 Ca -0.15 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 2krr s THR 95 Cb 0.11 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2krr s THR 95 CO 0.67 0.55 0.53 -0.76 -0.69 0.00 0.00 174.62 174.92 2krr s LEU 96 N 0.02 4.05 0.04 4.42 2.01 0.88 -1.54 118.68 128.56 2krr s LEU 96 Ca -0.04 0.53 0.05 0.00 0.01 0.00 0.00 54.13 54.68 2krr s LEU 96 Cb -0.14 -3.37 -0.02 0.00 0.01 0.00 0.00 46.19 42.67 2krr s LEU 96 CO 0.04 -0.24 -0.15 -0.22 1.01 0.00 0.00 176.35 176.79 2krr s LEU 97 N -3.97 2.16 -0.08 1.79 2.96 0.72 -0.87 118.68 121.38 2krr s LEU 97 Ca 0.41 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2krr s LEU 97 Cb -0.10 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2krr s LEU 97 CO 0.34 0.07 -0.04 0.00 -1.32 0.00 0.00 176.35 175.40 2krr s ALA 98 N -0.80 3.12 0.30 5.97 0.00 0.10 0.12 121.76 130.58 2krr s ALA 98 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2krr s ALA 98 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2krr s ALA 98 CO 0.01 0.58 0.15 0.15 0.00 0.00 0.00 175.76 176.65 2krr s LYS 99 N -0.84 1.58 -1.44 0.00 1.02 0.21 -2.63 119.74 117.64 2krr s LYS 99 Ca 0.13 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.22 2krr s LYS 99 Cb -0.11 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 2krr s LYS 99 CO 0.02 -0.43 0.00 -1.71 -0.92 0.00 0.00 175.35 172.30 2krr n ASN 100 N -0.88 -5.19 -4.77 2.83 5.15 -1.26 -2.19 115.26 108.94 2krr n ASN 100 Ca 0.01 0.34 -0.38 0.00 -0.60 0.00 0.00 54.58 53.95 2krr n ASN 100 Cb 0.65 -3.88 -0.06 0.00 -0.53 0.00 0.00 39.78 35.96 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 -3.09 4.36 0.91 1.20 1.43 -1.26 -4.65 118.68 117.58 2krr s LEU 101 Ca 0.00 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 2krr s LEU 101 Cb 0.00 -3.96 0.14 0.00 0.03 0.00 0.00 46.19 42.40 2krr s LEU 101 CO 0.00 -0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.38 2krr s PRO 102 N -1.97 1.15 0.00 1.29 0.04 -1.26 -4.45 135.00 129.80 2krr s PRO 102 Ca 0.50 0.78 0.25 0.00 0.04 0.00 0.00 61.00 62.56 2krr s PRO 102 Cb -0.22 -1.80 1.29 0.00 0.04 0.00 0.00 34.50 33.81 2krr s PRO 102 CO 0.27 -2.30 1.83 0.66 0.04 0.00 0.00 177.00 177.50 2krr n TYR 103 N -3.92 0.00 -0.56 0.56 4.01 -1.26 -2.56 117.16 113.43 2krr n TYR 103 Ca 0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.86 2krr n TYR 103 Cb 0.55 -0.23 0.11 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.23 2.34 -1.29 -0.72 2.85 -1.26 -2.55 118.16 116.30 2krr n LYS 104 Ca 0.13 -2.16 -0.31 0.00 -1.05 0.00 0.00 58.31 54.91 2krr n LYS 104 Cb 0.17 -1.34 0.09 0.00 -0.65 0.00 0.00 35.03 33.30 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2krr s VAL 105 N -1.95 3.29 0.04 0.58 0.11 -1.06 -5.02 120.40 116.39 2krr s VAL 105 Ca 0.21 0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 59.69 2krr s VAL 105 Cb 0.17 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 2krr s VAL 105 CO 0.05 -0.53 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.36 2krr s THR 106 N -2.85 0.17 0.18 5.04 2.01 -1.26 -4.77 115.64 114.16 2krr s THR 106 Ca 0.62 -1.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 2krr s THR 106 Cb -0.18 -0.92 0.11 0.00 0.01 0.00 0.00 72.50 71.52 2krr s THR 106 CO 0.55 -0.76 1.60 -0.61 -0.69 0.00 0.00 174.62 174.70 2krr h GLN 107 N 3.86 -0.18 -0.80 4.92 4.15 -1.97 0.31 115.11 125.40 2krr h GLN 107 Ca -0.33 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.14 2krr h GLN 107 Cb 1.17 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 2krr h GLN 107 CO 0.54 -0.12 0.51 0.22 -1.93 0.00 0.00 178.83 178.05 2krr h ASP 108 N -0.18 0.84 -1.00 -0.69 3.58 -1.97 -0.19 116.42 116.80 2krr h ASP 108 Ca 0.21 -0.00 0.24 0.00 0.42 0.00 0.00 57.03 57.90 2krr h ASP 108 Cb 0.53 -0.18 -0.12 0.00 1.72 0.00 0.00 39.33 41.28 2krr h ASP 108 CO -0.61 0.57 0.59 -0.33 -2.88 0.00 0.00 179.24 176.59 2krr h GLU 109 N 0.98 0.59 0.00 0.28 5.08 -1.35 0.19 114.58 120.35 2krr h GLU 109 Ca 0.32 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2krr h GLU 109 Cb 0.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2krr h GLU 109 CO -0.12 0.39 -1.21 -0.07 -1.00 0.00 0.00 179.01 177.00 2krr h LEU 110 N 0.60 0.00 -0.42 1.33 3.38 -0.93 -3.27 115.31 116.00 2krr h LEU 110 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 2krr h LEU 110 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2krr h LEU 110 CO -0.46 0.77 0.00 2.29 0.09 0.00 0.00 178.44 181.12 2krr n LYS 111 N -3.10 0.09 0.18 1.13 2.85 0.54 -2.25 118.16 117.59 2krr n LYS 111 Ca -0.07 0.39 0.13 0.00 -1.05 0.00 0.00 58.31 57.71 2krr n LYS 111 Cb 0.90 -1.69 0.62 0.00 -0.65 0.00 0.00 35.03 34.20 2krr n LYS 111 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2krr h GLU 112 N 0.00 0.00 0.00 -1.58 5.08 -1.32 0.30 114.58 117.06 2krr h GLU 112 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2krr h GLU 112 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2krr h GLU 112 CO 0.00 0.00 -1.80 1.33 -1.00 0.00 0.00 179.01 177.54 2krr n VAL 113 N -2.39 0.93 -1.36 3.13 0.24 -0.96 -4.66 118.33 113.27 2krr n VAL 113 Ca -0.00 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.81 2krr n VAL 113 Cb 0.13 -1.74 0.10 0.00 -1.47 0.00 0.00 33.84 30.86 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 -3.75 3.09 0.29 6.34 1.16 -1.21 -4.63 117.46 118.75 2krr n PHE 114 Ca -0.30 -2.65 0.19 0.00 -1.87 0.00 0.00 57.45 52.82 2krr n PHE 114 Cb 0.69 -1.23 0.98 0.00 -1.61 0.00 0.00 39.48 38.31 2krr n PHE 114 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2krr h GLU 115 N 1.73 0.00 0.00 3.97 4.81 -0.67 0.40 114.58 124.83 2krr h GLU 115 Ca 0.59 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2krr h GLU 115 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2krr h GLU 115 CO 1.38 0.00 -0.27 0.22 -0.73 0.00 0.00 179.01 179.61 2krr h ASP 116 N 0.00 0.00 -2.35 1.04 3.58 -1.83 -3.47 116.42 113.39 2krr h ASP 116 Ca 0.03 -0.06 -0.48 0.00 0.42 0.00 0.00 57.03 56.94 2krr h ASP 116 Cb 0.34 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.63 2krr h ASP 116 CO -0.00 0.03 -1.24 0.00 -2.88 0.00 0.00 179.24 175.14 2krr n ALA 117 N -1.91 -4.14 0.22 -0.78 0.00 0.14 -4.94 120.51 109.10 2krr n ALA 117 Ca 0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 53.44 52.26 2krr n ALA 117 Cb 0.47 -1.46 -0.04 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 -1.76 -0.77 -2.45 0.00 0.00 -1.86 -3.48 119.26 108.94 2krr h ALA 118 Ca -0.49 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 2krr h ALA 118 Cb 1.35 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.21 2krr h ALA 118 CO 0.34 -0.72 -0.64 -1.83 0.00 0.00 0.00 179.25 176.40 2krr s GLU 119 N -3.65 0.98 -0.04 0.00 -1.05 -0.69 -5.04 118.70 109.22 2krr s GLU 119 Ca -0.09 -1.47 0.01 0.00 -0.15 0.00 0.00 54.97 53.27 2krr s GLU 119 Cb 0.01 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2krr s GLU 119 CO 0.26 -0.28 -0.05 0.42 0.95 0.00 0.00 175.26 176.56 2krr s ILE 120 N -4.06 0.57 -0.22 1.83 1.09 -1.26 -2.73 121.20 116.42 2krr s ILE 120 Ca 0.27 -0.17 -0.03 0.00 -1.10 0.00 0.00 60.65 59.62 2krr s ILE 120 Cb 0.07 -0.58 0.07 0.00 -1.06 0.00 0.00 42.46 40.96 2krr s ILE 120 CO 0.04 0.23 0.06 -0.13 -0.10 0.00 0.00 174.94 175.03 2krr s ARG 121 N 0.77 0.59 0.06 2.79 1.81 0.10 -5.01 118.95 120.06 2krr s ARG 121 Ca -0.11 -0.53 -0.10 0.00 -1.72 0.00 0.00 55.73 53.27 2krr s ARG 121 Cb -0.13 -1.98 -0.06 0.00 -0.45 0.00 0.00 34.95 32.33 2krr s ARG 121 CO 0.00 -0.75 0.38 -1.17 -0.68 0.00 0.00 175.30 173.09 2krr s LEU 122 N 1.85 4.36 -0.32 2.53 2.96 -1.26 0.08 118.68 128.89 2krr s LEU 122 Ca 0.02 0.77 -0.13 0.00 -0.22 0.00 0.00 54.13 54.57 2krr s LEU 122 Cb -0.17 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 2krr s LEU 122 CO -0.14 0.20 0.27 -0.69 -1.32 0.00 0.00 176.35 174.67 2krr s VAL 123 N -1.36 5.25 -0.21 1.68 1.01 -0.98 -4.93 120.40 120.86 2krr s VAL 123 Ca 0.31 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 2krr s VAL 123 Cb -0.14 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.61 2krr s VAL 123 CO 0.17 0.05 0.53 -0.94 0.00 0.00 0.00 175.10 174.91 2krr s SER 124 N 1.73 -0.65 0.11 3.32 1.04 -1.26 -2.67 113.70 115.31 2krr s SER 124 Ca 0.09 1.12 0.03 0.00 0.48 0.00 0.00 55.95 57.67 2krr s SER 124 Cb -0.17 1.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.95 2krr s SER 124 CO 0.11 -0.21 -0.09 -0.75 0.98 0.00 0.00 173.24 173.29 2krr s LYS 125 N 1.17 0.88 -1.33 4.02 2.36 -0.40 -4.77 119.74 121.68 2krr s LYS 125 Ca -0.07 -1.28 0.00 0.00 -2.55 0.00 0.00 55.97 52.06 2krr s LYS 125 Cb -0.06 -0.42 0.00 0.00 -1.05 0.00 0.00 37.83 36.30 2krr s LYS 125 CO -0.11 0.04 0.00 -3.47 1.55 0.00 0.00 175.35 173.36 2krr n ASP 126 N 0.17 -5.31 -0.41 1.43 2.03 -1.26 -1.76 116.55 111.45 2krr n ASP 126 Ca -0.13 0.31 -0.02 0.00 0.52 0.00 0.00 54.79 55.47 2krr n ASP 126 Cb 0.59 -3.90 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 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 -0.38 0.50 3.32 0.27 0.00 -1.26 -5.05 105.19 102.58 2krr n GLY 127 Ca -0.12 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 2krr n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 128 N -4.47 0.96 0.39 1.61 0.00 -0.72 -5.15 119.74 112.37 2krr s LYS 128 Ca 0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 55.97 55.30 2krr s LYS 128 Cb -0.01 0.43 -0.10 0.00 0.00 0.00 0.00 37.83 38.14 2krr s LYS 128 CO 0.02 -0.35 0.91 -1.12 0.00 0.00 0.00 175.35 174.82 2krr s SER 129 N -2.27 6.99 0.01 0.03 0.01 -1.06 -1.28 113.70 116.14 2krr s SER 129 Ca -0.03 1.65 0.22 0.00 1.31 0.00 0.00 55.95 59.10 2krr s SER 129 Cb 0.00 -2.52 -0.24 0.00 0.21 0.00 0.00 66.02 63.47 2krr s SER 129 CO -0.06 -0.27 0.66 0.29 0.41 0.00 0.00 173.24 174.27 2krr n LYS 130 N -0.34 0.55 0.00 12.44 5.02 -1.09 -4.73 118.16 130.00 2krr n LYS 130 Ca 0.05 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2krr n LYS 130 Cb 0.53 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2krr n GLY 131 N 1.28 1.73 3.44 0.72 0.00 -1.26 -5.01 105.19 106.09 2krr n GLY 131 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.14 -0.61 -4.36 -1.26 -4.14 121.20 108.68 2krr s ILE 132 Ca 0.00 -0.01 -0.03 0.00 -0.26 0.00 0.00 60.65 60.35 2krr s ILE 132 Cb 0.00 -0.76 0.05 0.00 1.25 0.00 0.00 42.46 43.00 2krr s ILE 132 CO 0.00 -0.01 0.04 0.00 0.24 0.00 0.00 174.94 175.21 2krr s ALA 133 N 0.18 0.72 -0.11 2.27 0.00 -1.08 -2.32 121.76 121.43 2krr s ALA 133 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 2krr s ALA 133 Cb -0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2krr s ALA 133 CO 0.01 -0.94 0.55 0.71 0.00 0.00 0.00 175.76 176.10 2krr s TYR 134 N 1.98 3.52 -0.09 0.00 2.02 0.11 0.01 117.35 124.90 2krr s TYR 134 Ca 0.02 0.99 0.02 0.00 -0.37 0.00 0.00 57.07 57.73 2krr s TYR 134 Cb -0.15 -2.64 0.01 0.00 -0.40 0.00 0.00 41.96 38.78 2krr s TYR 134 CO -0.07 0.12 -0.16 0.96 -1.57 0.00 0.00 175.55 174.83 2krr s ILE 135 N 0.78 1.48 -0.47 2.71 -0.00 -0.05 0.03 121.20 125.67 2krr s ILE 135 Ca 0.29 -0.66 -0.15 0.00 -0.00 0.00 0.00 60.65 60.14 2krr s ILE 135 Cb -0.16 -1.33 0.07 0.00 -0.00 0.00 0.00 42.46 41.04 2krr s ILE 135 CO 0.12 0.43 0.38 -0.70 -0.00 0.00 0.00 174.94 175.18 2krr s GLU 136 N 0.76 2.94 0.82 0.37 2.56 -1.10 -0.08 118.70 124.95 2krr s GLU 136 Ca -0.12 -1.37 -0.12 0.00 0.00 0.00 0.00 54.97 53.36 2krr s GLU 136 Cb -0.16 -4.10 0.09 0.00 2.00 0.00 0.00 34.13 31.97 2krr s GLU 136 CO 0.02 -1.03 1.18 -0.06 -0.56 0.00 0.00 175.26 174.81 2krr s PHE 137 N 1.61 2.75 -0.05 5.30 0.40 -1.21 -1.70 117.98 125.09 2krr s PHE 137 Ca 0.04 0.65 -0.26 0.00 -0.60 0.00 0.00 56.93 56.76 2krr s PHE 137 Cb -0.24 -3.54 -0.22 0.00 0.51 0.00 0.00 43.02 39.52 2krr s PHE 137 CO 0.06 -1.85 1.10 0.87 0.70 0.00 0.00 175.22 176.10 2krr h LYS 138 N -1.08 0.08 -4.00 0.44 6.56 -1.94 -3.45 116.57 113.18 2krr h LYS 138 Ca -0.46 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 58.91 2krr h LYS 138 Cb 1.31 0.02 -0.20 0.00 -0.57 0.00 0.00 32.23 32.79 2krr h LYS 138 CO 0.61 0.74 -0.68 -0.08 -2.06 0.00 0.00 179.45 177.99 2krr s THR 139 N -3.51 0.13 0.59 -0.16 -1.32 -1.26 -5.02 115.64 105.09 2krr s THR 139 Ca -0.16 -1.08 0.29 0.00 -1.21 0.00 0.00 61.69 59.53 2krr s THR 139 Cb 0.01 -0.53 0.37 0.00 -1.51 0.00 0.00 72.50 70.83 2krr s THR 139 CO 0.70 -0.59 2.03 -0.33 -2.21 0.00 0.00 174.62 174.22 2krr h GLU 140 N 4.30 0.00 -0.42 7.08 3.07 -1.84 0.74 114.58 127.52 2krr h GLU 140 Ca -0.32 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.43 2krr h GLU 140 Cb 1.19 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 2krr h GLU 140 CO 0.46 0.00 -0.16 0.00 -1.40 0.00 0.00 179.01 177.91 2krr h ALA 141 N 1.65 0.92 0.09 3.43 0.00 -1.95 0.24 119.26 123.64 2krr h ALA 141 Ca 0.13 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 2krr h ALA 141 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2krr h ALA 141 CO -0.00 0.62 -1.46 0.22 0.00 0.00 0.00 179.25 178.63 2krr h ASP 142 N 0.71 0.29 0.28 0.00 3.58 -1.32 -3.12 116.42 116.83 2krr h ASP 142 Ca 0.11 -0.40 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2krr h ASP 142 Cb 0.66 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2krr h ASP 142 CO 0.05 1.33 -0.13 0.00 -2.88 0.00 0.00 179.24 177.60 2krr h ALA 143 N 0.63 -0.38 -0.26 -0.78 0.00 -1.10 0.24 119.26 117.62 2krr h ALA 143 Ca -0.21 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2krr h ALA 143 Cb 1.98 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2krr h ALA 143 CO 0.15 -0.36 0.28 1.05 0.00 0.00 0.00 179.25 180.37 2krr h GLU 144 N -1.09 0.00 0.00 0.00 4.11 -0.68 -1.79 114.58 115.13 2krr h GLU 144 Ca -0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.32 2krr h GLU 144 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2krr h GLU 144 CO 0.06 0.00 -0.57 -0.22 0.07 0.00 0.00 179.01 178.35 2krr h LYS 145 N 0.00 0.00 -1.19 1.06 3.64 -1.58 -3.36 116.57 115.14 2krr h LYS 145 Ca 0.12 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.85 2krr h LYS 145 Cb 0.68 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 2krr h LYS 145 CO -0.00 0.45 0.88 1.15 -2.27 0.00 0.00 179.45 179.66 2krr h THR 146 N -1.00 0.37 -0.14 1.00 2.02 -0.16 0.37 112.91 115.38 2krr h THR 146 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.10 2krr h THR 146 Cb 0.73 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2krr h THR 146 CO -0.06 0.00 -0.34 0.15 0.37 0.00 0.00 175.52 175.63 2krr h PHE 147 N 0.00 -1.03 0.00 3.16 3.57 -1.48 0.27 116.94 121.44 2krr h PHE 147 Ca 0.57 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.11 2krr h PHE 147 Cb 2.32 0.47 0.00 0.00 2.79 0.00 0.00 35.95 41.53 2krr h PHE 147 CO 0.00 -0.33 -0.37 1.05 -2.23 0.00 0.00 178.31 176.43 2krr h GLU 148 N -0.33 0.00 0.00 1.11 4.11 -1.57 0.66 114.58 118.56 2krr h GLU 148 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2krr h GLU 148 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2krr h GLU 148 CO -0.30 0.00 0.00 0.93 0.07 0.00 0.00 179.01 179.71 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.40 -3.29 114.58 116.34 2krr h GLU 149 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2krr h GLU 149 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2krr h GLU 149 CO 0.00 0.00 -0.94 1.63 -1.16 0.00 0.00 179.01 178.54 2krr n LYS 150 N -2.78 3.17 -1.51 2.33 4.01 0.91 -4.99 118.16 119.29 2krr n LYS 150 Ca 0.02 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.37 2krr n LYS 150 Cb 0.34 -0.97 -0.01 0.00 -0.51 0.00 0.00 35.03 33.88 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 -1.82 0.84 0.00 1.97 7.27 0.22 -3.54 117.38 122.31 2krr n GLN 151 Ca 0.00 0.29 0.00 0.00 0.07 0.00 0.00 57.00 57.36 2krr n GLN 151 Cb 0.39 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.48 2krr n GLN 151 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2krr n GLY 152 N 1.54 1.03 3.89 1.69 0.00 -1.26 -4.94 105.19 107.13 2krr n GLY 152 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 3.69 -0.12 2.61 -1.32 -1.23 -5.03 115.64 112.24 2krr s THR 153 Ca 0.00 0.46 0.03 0.00 -1.21 0.00 0.00 61.69 60.96 2krr s THR 153 Cb 0.00 -3.53 0.01 0.00 -1.51 0.00 0.00 72.50 67.47 2krr s THR 153 CO 0.00 -0.68 -0.20 -1.61 -2.21 0.00 0.00 174.62 169.92 2krr s GLU 154 N -5.27 2.72 -0.04 7.08 2.02 -1.26 -3.53 118.70 120.42 2krr s GLU 154 Ca 0.57 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.82 2krr s GLU 154 Cb -0.11 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 31.96 2krr s GLU 154 CO 0.51 0.03 -0.04 0.42 0.02 0.00 0.00 175.26 176.20 2krr s ILE 155 N 0.72 0.47 -1.71 -1.63 1.09 0.13 -4.77 121.20 115.50 2krr s ILE 155 Ca -0.11 -0.09 0.00 0.00 -1.10 0.00 0.00 60.65 59.35 2krr s ILE 155 Cb -0.16 -0.50 0.00 0.00 -1.06 0.00 0.00 42.46 40.74 2krr s ILE 155 CO 0.01 0.20 0.00 -0.67 -0.10 0.00 0.00 174.94 174.39 2krr n ASP 156 N 3.98 -4.94 0.00 3.58 2.03 -1.26 -1.86 116.55 118.08 2krr n ASP 156 Ca -0.25 0.38 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 -0.99 3.04 3.03 0.27 0.00 -1.26 -5.03 105.19 104.26 2krr n GLY 157 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 2krr n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -0.53 0.50 -4.11 1.61 1.85 -0.78 -5.05 116.66 110.15 2krr n ARG 158 Ca 0.00 -2.34 -0.34 0.00 -1.00 0.00 0.00 57.85 54.17 2krr n ARG 158 Cb 0.00 -0.28 -0.15 0.00 -1.05 0.00 0.00 32.46 30.98 2krr n ARG 158 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2krr s SER 159 N -3.91 3.76 0.06 2.89 0.01 -1.26 0.18 113.70 115.43 2krr s SER 159 Ca 0.49 -0.50 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 2krr s SER 159 Cb -0.04 -1.61 -0.06 0.00 0.21 0.00 0.00 66.02 64.52 2krr s SER 159 CO 0.31 0.01 0.68 0.27 0.41 0.00 0.00 173.24 174.92 2krr s ILE 160 N 1.27 4.72 0.12 1.44 -4.36 -1.23 -4.85 121.20 118.31 2krr s ILE 160 Ca 0.03 1.46 0.06 0.00 -0.26 0.00 0.00 60.65 61.94 2krr s ILE 160 Cb -0.14 -4.03 -0.04 0.00 1.25 0.00 0.00 42.46 39.50 2krr s ILE 160 CO -0.06 0.44 -0.02 -0.44 0.24 0.00 0.00 174.94 175.10 2krr s SER 161 N -0.49 4.81 0.20 4.36 0.01 -0.93 -4.47 113.70 117.19 2krr s SER 161 Ca 0.34 -0.30 0.11 0.00 1.31 0.00 0.00 55.95 57.42 2krr s SER 161 Cb -0.20 -1.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 2krr s SER 161 CO 0.21 0.14 -0.23 -0.76 0.41 0.00 0.00 173.24 173.01 2krr s LEU 162 N -2.53 2.45 0.30 2.44 1.43 -1.26 -0.62 118.68 120.90 2krr s LEU 162 Ca 0.25 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2krr s LEU 162 Cb -0.11 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 2krr s LEU 162 CO 0.17 0.11 0.46 -0.31 0.23 0.00 0.00 176.35 177.01 2krr s TYR 163 N -1.78 0.76 -0.36 0.29 1.51 0.12 -4.78 117.35 113.11 2krr s TYR 163 Ca 0.22 -1.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 2krr s TYR 163 Cb -0.08 0.02 0.10 0.00 -0.11 0.00 0.00 41.96 41.89 2krr s TYR 163 CO 0.10 -1.06 0.09 1.52 -1.11 0.00 0.00 175.55 175.10 2krr s TYR 164 N -3.48 3.62 -0.05 2.71 -0.85 -1.26 -0.20 117.35 117.84 2krr s TYR 164 Ca 0.28 -2.64 0.09 0.00 -0.52 0.00 0.00 57.07 54.28 2krr s TYR 164 Cb -0.00 -2.90 0.16 0.00 0.38 0.00 0.00 41.96 39.60 2krr s TYR 164 CO 0.15 -0.94 1.08 -2.37 -1.52 0.00 0.00 175.55 171.94 2krr n THR 165 N 4.43 0.69 -1.09 -3.49 5.66 -1.22 -4.77 114.28 114.48 2krr n THR 165 Ca -0.01 -0.98 -0.31 0.00 -3.05 0.00 0.00 64.05 59.69 2krr n THR 165 Cb 0.42 0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.46 2krr n THR 165 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2krr n GLY 166 N -0.44 3.77 3.49 1.09 0.00 0.46 -4.95 105.19 108.62 2krr n GLY 166 Ca 0.07 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 3.70 0.04 -1.23 1.61 0.28 -1.26 -4.17 120.64 119.60 2krr n GLU 167 Ca 0.65 0.07 -0.30 0.00 -0.16 0.00 0.00 57.16 57.41 2krr n GLU 167 Cb 0.24 -1.95 0.11 0.00 1.43 0.00 0.00 31.44 31.27 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 -3.37 1.75 1.32 3.44 0.04 -1.26 -4.96 135.00 131.96 2krr s PRO 168 Ca 0.63 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 2krr s PRO 168 Cb -0.28 -1.85 0.33 0.00 0.04 0.00 0.00 34.50 32.74 2krr s PRO 168 CO 0.61 -1.95 0.90 1.63 0.04 0.00 0.00 177.00 178.23 2krr n LYS 169 N -3.71 -3.58 0.00 4.56 5.02 -1.26 -4.43 118.16 114.76 2krr n LYS 169 Ca 0.08 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.33 2krr n LYS 169 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2krr n GLY 170 N 1.49 1.69 0.34 0.72 0.00 -1.26 -4.97 105.19 103.21 2krr n GLY 170 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.34 1.07 0.00 1.61 4.11 -1.93 -3.05 114.58 117.73 2krr h GLU 171 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2krr h GLU 171 Cb 0.00 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 28.96 2krr h GLU 171 CO 0.00 0.71 -0.43 0.41 0.07 0.00 0.00 179.01 179.77 2krr n GLY 172 N -1.35 4.17 0.20 1.06 0.00 -1.26 -4.76 105.19 103.25 2krr n GLY 172 Ca 0.13 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.79 2krr n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2krr n LEU 173 N -0.91 1.82 -0.81 0.99 4.77 -1.15 -5.26 117.00 116.45 2krr n LEU 173 Ca 0.15 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 2krr n LEU 173 Cb 0.74 -0.76 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 2krr n LEU 173 CO -0.02 0.45 0.70 -0.62 -1.33 0.00 0.00 177.39 176.58