#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 0.20 0.09 2.61 -4.23 -1.26 -5.06 115.64 107.99 2krr s THR 2 Ca 0.00 0.19 -0.34 0.00 -1.18 0.00 0.00 61.69 60.36 2krr s THR 2 Cb 0.00 -0.36 -0.16 0.00 1.34 0.00 0.00 72.50 73.32 2krr s THR 2 CO 0.00 0.21 1.54 -0.33 -0.54 0.00 0.00 174.62 175.50 2krr h GLU 3 N 8.06 -0.87 -7.33 3.99 3.07 -2.06 -3.43 114.58 116.01 2krr h GLU 3 Ca -0.24 0.06 -0.49 0.00 -0.50 0.00 0.00 59.36 58.20 2krr h GLU 3 Cb 1.13 0.20 0.14 0.00 -0.84 0.00 0.00 28.75 29.38 2krr h GLU 3 CO 0.29 -0.58 0.26 -1.25 -1.40 0.00 0.00 179.01 176.32 2krr s PRO 4 N -5.73 1.37 -0.07 2.33 0.04 -1.26 -5.00 135.00 126.68 2krr s PRO 4 Ca -0.17 0.86 0.09 0.00 0.04 0.00 0.00 61.00 61.82 2krr s PRO 4 Cb 0.05 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 2krr s PRO 4 CO 0.58 -2.17 0.09 -2.37 0.04 0.00 0.00 177.00 173.18 2krr n THR 5 N -3.84 0.46 -4.26 1.26 5.66 -1.26 -5.04 114.28 107.26 2krr n THR 5 Ca 0.07 -0.36 -0.25 0.00 -3.05 0.00 0.00 64.05 60.46 2krr n THR 5 Cb 0.55 -0.44 -0.08 0.00 -1.55 0.00 0.00 70.33 68.81 2krr n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2krr s THR 6 N -2.38 2.39 -0.35 1.09 -4.23 -1.26 -5.03 115.64 105.87 2krr s THR 6 Ca -0.04 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 2krr s THR 6 Cb 0.04 -2.94 0.50 0.00 1.34 0.00 0.00 72.50 71.44 2krr s THR 6 CO 0.41 -0.07 1.71 0.00 -0.54 0.00 0.00 174.62 176.13 2krr n ALA 7 N -1.11 4.89 -3.55 3.99 0.00 -1.26 -4.65 120.51 118.82 2krr n ALA 7 Ca -0.03 -2.21 -0.28 0.00 0.00 0.00 0.00 53.44 50.92 2krr n ALA 7 Cb 0.64 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 2krr n ALA 7 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2krr s PHE 8 N -2.51 1.52 0.25 0.00 0.08 -1.26 -4.98 117.98 111.07 2krr s PHE 8 Ca 0.43 -2.31 0.09 0.00 0.12 0.00 0.00 56.93 55.27 2krr s PHE 8 Cb 0.36 -1.37 -0.05 0.00 -0.57 0.00 0.00 43.02 41.40 2krr s PHE 8 CO 0.08 -0.78 -0.14 -0.80 -0.10 0.00 0.00 175.22 173.48 2krr s ASN 9 N 0.18 2.94 0.03 1.36 0.02 -1.26 -0.72 114.94 117.49 2krr s ASN 9 Ca 0.25 -1.06 -0.01 0.00 -1.02 0.00 0.00 52.86 51.02 2krr s ASN 9 Cb -0.10 -0.20 -0.02 0.00 0.02 0.00 0.00 41.25 40.95 2krr s ASN 9 CO -0.10 -0.15 -0.02 -1.48 0.02 0.00 0.00 177.10 175.37 2krr s LEU 10 N -3.41 2.26 -0.34 0.60 0.05 -0.42 -4.84 118.68 112.60 2krr s LEU 10 Ca 0.26 -0.60 -0.22 0.00 0.05 0.00 0.00 54.13 53.62 2krr s LEU 10 Cb -0.01 0.15 0.00 0.00 -2.05 0.00 0.00 46.19 44.28 2krr s LEU 10 CO 0.10 -0.37 0.73 0.12 -0.55 0.00 0.00 176.35 176.38 2krr s PHE 11 N -2.02 3.16 0.18 3.48 2.19 0.19 -1.31 117.98 123.86 2krr s PHE 11 Ca -0.11 0.59 0.04 0.00 0.33 0.00 0.00 56.93 57.78 2krr s PHE 11 Cb -0.06 -3.22 -0.03 0.00 -1.31 0.00 0.00 43.02 38.39 2krr s PHE 11 CO -0.03 -0.62 0.26 0.14 1.83 0.00 0.00 175.22 176.80 2krr s VAL 12 N 2.89 5.04 0.18 3.12 -7.23 0.68 0.79 120.40 125.88 2krr s VAL 12 Ca 0.29 -0.91 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 2krr s VAL 12 Cb -0.14 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 2krr s VAL 12 CO 0.14 -0.17 0.29 -0.83 -0.31 0.00 0.00 175.10 174.22 2krr s GLY 13 N -3.42 0.65 -1.09 2.32 0.00 0.89 -1.49 107.32 105.19 2krr s GLY 13 Ca 0.33 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.92 2krr s GLY 13 CO 0.27 -0.90 0.88 -2.01 0.00 0.00 0.00 173.10 171.34 2krr n ASN 14 N -0.25 -6.04 -1.26 1.64 5.15 0.11 -0.00 115.26 114.61 2krr n ASN 14 Ca -0.05 -0.81 0.12 0.00 -0.60 0.00 0.00 54.58 53.24 2krr n ASN 14 Cb 0.63 -4.60 0.28 0.00 -0.53 0.00 0.00 39.78 35.57 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 -3.58 3.76 -1.30 1.20 4.77 -0.43 -3.12 117.00 118.30 2krr n LEU 15 Ca -0.09 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 2krr n LEU 15 Cb 0.61 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2krr n LEU 15 CO 0.62 0.90 -0.33 -3.20 -1.33 0.00 0.00 177.39 174.05 2krr n ASN 16 N 1.55 -7.20 -3.69 -1.43 5.15 -1.25 -4.80 115.26 103.59 2krr n ASN 16 Ca 0.22 0.94 -0.34 0.00 -0.60 0.00 0.00 54.58 54.80 2krr n ASN 16 Cb 0.61 -3.21 -0.04 0.00 -0.53 0.00 0.00 39.78 36.61 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 0.20 3.10 0.00 1.20 -1.74 -1.05 -4.52 117.46 114.65 2krr n PHE 17 Ca 0.00 -3.51 0.00 0.00 -0.56 0.00 0.00 57.45 53.38 2krr n PHE 17 Cb 0.00 -0.87 0.00 0.00 1.52 0.00 0.00 39.48 40.13 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 1.09 3.90 -2.24 5.98 5.03 -1.26 -5.04 115.26 122.71 2krr n ASN 18 Ca 0.28 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.71 2krr n ASN 18 Cb 0.38 0.23 0.01 0.00 -1.02 0.00 0.00 39.78 39.38 2krr n ASN 18 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2krr n LYS 19 N -2.05 0.54 -1.63 3.52 3.00 -1.26 -5.09 118.16 115.18 2krr n LYS 19 Ca 0.00 -0.26 -0.29 0.00 -0.00 0.00 0.00 58.31 57.76 2krr n LYS 19 Cb 0.43 -0.06 0.12 0.00 0.00 0.00 0.00 35.03 35.51 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2krr s SER 20 N -1.39 3.91 0.06 3.14 0.01 -1.26 -4.94 113.70 113.23 2krr s SER 20 Ca 0.06 0.96 -0.35 0.00 1.31 0.00 0.00 55.95 57.93 2krr s SER 20 Cb -0.00 -1.54 -0.20 0.00 0.21 0.00 0.00 66.02 64.48 2krr s SER 20 CO 0.04 -2.30 1.52 0.00 0.41 0.00 0.00 173.24 172.92 2krr h ALA 21 N -1.32 -1.21 0.00 1.44 0.00 -1.98 -2.68 119.26 113.50 2krr h ALA 21 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2krr h ALA 21 Cb 1.32 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2krr h ALA 21 CO 0.63 -1.16 0.00 -0.35 0.00 0.00 0.00 179.25 178.37 2krr n PRO 22 N -5.60 0.08 0.14 0.00 -0.04 -1.26 -2.16 135.00 126.17 2krr n PRO 22 Ca -0.16 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2krr n PRO 22 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.11 0.54 4.39 -1.85 -3.31 114.58 114.24 2krr h GLU 23 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2krr h GLU 23 Cb 0.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2krr h GLU 23 CO 0.00 0.00 -0.82 -0.07 -1.16 0.00 0.00 179.01 176.96 2krr h LEU 24 N 0.00 0.84 -0.59 1.33 -0.00 -1.25 -3.26 115.31 112.37 2krr h LEU 24 Ca 0.00 -0.57 0.11 0.00 -0.00 0.00 0.00 57.88 57.42 2krr h LEU 24 Cb 0.92 -0.25 -0.09 0.00 -0.00 0.00 0.00 40.66 41.24 2krr h LEU 24 CO 0.00 1.36 0.10 0.11 -0.00 0.00 0.00 178.44 180.01 2krr h LYS 25 N 0.46 0.22 -0.04 1.13 1.57 -1.71 -0.89 116.57 117.31 2krr h LYS 25 Ca -0.06 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2krr h LYS 25 Cb 1.44 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 2krr h LYS 25 CO 0.16 0.14 -0.37 1.15 -0.57 0.00 0.00 179.45 179.96 2krr h THR 26 N 0.22 0.00 -0.38 -0.16 2.02 -1.73 0.19 112.91 113.08 2krr h THR 26 Ca 0.31 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.56 2krr h THR 26 Cb 0.47 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.83 2krr h THR 26 CO -0.42 0.00 0.04 1.23 0.37 0.00 0.00 175.52 176.74 2krr h GLY 27 N -0.43 0.41 0.35 2.16 0.00 -1.58 0.26 103.07 104.24 2krr h GLY 27 Ca 0.01 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.42 2krr h GLY 27 CO -0.27 -0.06 -0.07 -2.22 0.00 0.00 0.00 176.54 173.92 2krr h ILE 28 N 0.16 0.68 0.00 2.60 2.04 -0.73 0.44 117.51 122.69 2krr h ILE 28 Ca 0.18 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2krr h ILE 28 Cb 0.24 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2krr h ILE 28 CO -0.27 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.65 2krr h SER 29 N 0.01 0.00 0.47 1.72 4.64 -0.15 -3.20 113.55 117.04 2krr h SER 29 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2krr h SER 29 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2krr h SER 29 CO -0.34 0.00 -0.23 -0.78 -0.87 0.00 0.00 176.83 174.62 2krr h ASP 30 N 0.00 -0.54 -0.92 4.97 1.82 0.16 -2.32 116.42 119.60 2krr h ASP 30 Ca 0.00 0.01 0.22 0.00 -0.39 0.00 0.00 57.03 56.87 2krr h ASP 30 Cb 0.60 0.14 -0.12 0.00 0.68 0.00 0.00 39.33 40.63 2krr h ASP 30 CO 0.00 -0.11 0.45 1.62 -1.61 0.00 0.00 179.24 179.59 2krr h VAL 31 N -1.16 0.53 -0.67 2.25 3.04 -1.29 0.19 116.25 119.14 2krr h VAL 31 Ca -0.06 -0.17 -0.07 0.00 -1.01 0.00 0.00 66.70 65.39 2krr h VAL 31 Cb 0.49 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.75 2krr h VAL 31 CO 0.11 0.09 0.13 -0.26 -1.01 0.00 0.00 177.57 176.62 2krr h PHE 32 N 0.48 1.15 0.00 3.17 0.04 -1.60 -2.16 116.94 118.02 2krr h PHE 32 Ca 0.57 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 2krr h PHE 32 Cb 1.05 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.88 2krr h PHE 32 CO -0.10 0.95 -0.01 0.00 -0.60 0.00 0.00 178.31 178.56 2krr h ALA 33 N 1.10 1.09 0.00 2.45 0.00 -0.04 0.21 119.26 124.08 2krr h ALA 33 Ca 0.21 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2krr h ALA 33 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2krr h ALA 33 CO 0.01 0.01 -0.49 1.57 0.00 0.00 0.00 179.25 180.35 2krr h LYS 34 N 0.00 0.00 -0.80 0.00 2.10 -0.95 -3.22 116.57 113.70 2krr h LYS 34 Ca -0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 2krr h LYS 34 Cb 0.08 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.22 2krr h LYS 34 CO 0.00 0.47 0.38 0.09 -2.00 0.00 0.00 179.45 178.39 2krr n ASN 35 N -3.21 4.40 -3.23 7.07 3.02 -0.17 -4.89 115.26 118.25 2krr n ASN 35 Ca 0.02 -3.37 -0.23 0.00 -0.03 0.00 0.00 54.58 50.97 2krr n ASN 35 Cb 0.73 -0.77 0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.51 -6.11 -4.32 6.41 8.00 -1.17 -4.98 116.55 113.87 2krr n ASP 36 Ca 0.46 -0.38 -0.34 0.00 0.71 0.00 0.00 54.79 55.25 2krr n ASP 36 Cb 1.46 -4.90 -0.14 0.00 -0.02 0.00 0.00 41.12 37.52 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2krr s LEU 37 N -6.89 2.73 -0.20 0.64 1.43 -0.12 -5.01 118.68 111.26 2krr s LEU 37 Ca 0.40 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2krr s LEU 37 Cb -0.18 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2krr s LEU 37 CO 0.50 0.08 0.08 0.00 0.23 0.00 0.00 176.35 177.24 2krr s ALA 38 N 0.88 3.44 -0.13 4.21 0.00 -1.26 -3.17 121.76 125.74 2krr s ALA 38 Ca -0.03 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2krr s ALA 38 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 2krr s ALA 38 CO 0.00 0.05 -0.05 0.14 0.00 0.00 0.00 175.76 175.91 2krr s VAL 39 N 0.60 3.85 0.03 0.00 -7.23 -1.26 -2.79 120.40 113.59 2krr s VAL 39 Ca 0.04 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.86 2krr s VAL 39 Cb -0.13 -2.65 -0.24 0.00 0.56 0.00 0.00 36.38 33.92 2krr s VAL 39 CO 0.01 0.53 0.93 -0.37 -0.31 0.00 0.00 175.10 175.89 2krr h VAL 40 N 4.86 1.24 -2.70 1.32 -1.51 -1.07 -3.47 116.25 114.92 2krr h VAL 40 Ca -0.37 -2.96 -0.06 0.00 -1.23 0.00 0.00 66.70 62.09 2krr h VAL 40 Cb 1.19 2.70 -0.16 0.00 -2.13 0.00 0.00 31.29 32.89 2krr h VAL 40 CO 0.59 0.78 0.07 -0.62 -1.23 0.00 0.00 177.57 177.17 2krr s ASP 41 N -6.68 -0.48 -0.03 4.19 2.15 -1.20 -4.99 116.67 109.63 2krr s ASP 41 Ca -0.05 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.16 2krr s ASP 41 Cb 0.08 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.24 2krr s ASP 41 CO 0.84 -0.73 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.41 2krr s VAL 42 N -2.43 0.22 -0.04 1.11 1.01 -1.26 -0.10 120.40 118.91 2krr s VAL 42 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2krr s VAL 42 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2krr s VAL 42 CO -0.01 0.16 -0.09 -0.60 0.00 0.00 0.00 175.10 174.55 2krr s ARG 43 N 1.08 2.60 -0.01 2.72 6.06 0.86 -4.94 118.95 127.32 2krr s ARG 43 Ca -0.09 -0.65 0.05 0.00 -2.50 0.00 0.00 55.73 52.54 2krr s ARG 43 Cb -0.14 -2.49 -0.01 0.00 0.06 0.00 0.00 34.95 32.37 2krr s ARG 43 CO -0.02 0.63 -0.17 0.42 -2.50 0.00 0.00 175.30 173.66 2krr s ILE 44 N -0.85 1.37 1.24 4.11 1.09 -1.26 -0.02 121.20 126.89 2krr s ILE 44 Ca 0.14 -0.74 -0.20 0.00 -1.10 0.00 0.00 60.65 58.74 2krr s ILE 44 Cb -0.11 -1.15 0.30 0.00 -1.06 0.00 0.00 42.46 40.45 2krr s ILE 44 CO 0.03 0.39 1.08 -0.83 -0.10 0.00 0.00 174.94 175.51 2krr s GLY 45 N -0.39 1.56 0.00 6.18 0.00 0.94 -4.91 107.32 110.70 2krr s GLY 45 Ca 0.06 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 44.09 2krr s GLY 45 CO -0.01 -0.02 1.84 1.15 0.00 0.00 0.00 173.10 176.06 2krr n MET 46 N -4.92 1.18 0.00 2.90 0.00 -1.26 -3.04 117.12 111.98 2krr n MET 46 Ca 0.13 -0.26 0.04 0.00 0.00 0.00 0.00 57.70 57.62 2krr n MET 46 Cb 0.60 -1.38 0.03 0.00 0.00 0.00 0.00 33.22 32.46 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 -0.59 0.00 -2.47 3.17 5.66 -1.26 -4.98 114.28 113.82 2krr n THR 47 Ca 0.18 -0.47 -0.13 0.00 -3.05 0.00 0.00 64.05 60.58 2krr n THR 47 Cb 0.15 1.16 -0.01 0.00 -1.55 0.00 0.00 70.33 70.08 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 0.25 -2.27 -0.00 1.09 3.00 -1.17 -4.66 116.66 112.91 2krr n ARG 48 Ca 0.05 0.60 0.01 0.00 -0.01 0.00 0.00 57.85 58.50 2krr n ARG 48 Cb 0.21 -5.21 -0.01 0.00 0.00 0.00 0.00 32.46 27.46 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 -2.84 3.47 -3.78 5.56 4.81 -1.26 -2.54 118.16 121.59 2krr n LYS 49 Ca -0.14 -0.01 -0.10 0.00 -0.87 0.00 0.00 58.31 57.19 2krr n LYS 49 Cb 0.61 -0.79 0.01 0.00 0.02 0.00 0.00 35.03 34.88 2krr n LYS 49 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2krr n PHE 50 N -1.28 -2.12 -0.19 5.64 -1.74 -1.26 0.09 117.46 116.61 2krr n PHE 50 Ca 0.00 -1.96 0.00 0.00 -0.56 0.00 0.00 57.45 54.93 2krr n PHE 50 Cb 0.03 0.82 0.00 0.00 1.52 0.00 0.00 39.48 41.85 2krr n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2krr n GLY 51 N -0.54 -0.60 3.13 4.97 0.00 -0.55 -0.04 105.19 111.56 2krr n GLY 51 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.95 0.70 -0.03 1.61 1.51 0.97 -0.23 117.35 117.93 2krr s TYR 52 Ca 0.00 -1.06 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 2krr s TYR 52 Cb 0.00 -0.45 0.03 0.00 -0.11 0.00 0.00 41.96 41.43 2krr s TYR 52 CO 0.00 -0.34 0.04 0.08 -1.11 0.00 0.00 175.55 174.22 2krr s VAL 53 N -3.86 -0.07 -0.17 0.71 1.01 -0.43 -0.10 120.40 117.49 2krr s VAL 53 Ca 0.12 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 2krr s VAL 53 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 2krr s VAL 53 CO -0.06 0.11 0.10 -1.81 0.00 0.00 0.00 175.10 173.44 2krr s ASP 54 N 1.31 6.02 0.24 3.32 1.01 0.86 -1.29 116.67 128.13 2krr s ASP 54 Ca -0.06 0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.50 2krr s ASP 54 Cb -0.13 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2krr s ASP 54 CO -0.03 0.23 0.14 -0.36 0.21 0.00 0.00 175.17 175.36 2krr s PHE 55 N 0.05 3.03 0.13 4.23 0.40 0.10 -0.52 117.98 125.41 2krr s PHE 55 Ca 0.08 -0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 56.01 2krr s PHE 55 Cb -0.12 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 2krr s PHE 55 CO -0.00 0.54 1.59 0.93 0.70 0.00 0.00 175.22 178.98 2krr h GLU 56 N 1.75 -0.47 -4.71 0.44 5.08 -1.83 -3.42 114.58 111.41 2krr h GLU 56 Ca -0.48 0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 57.62 2krr h GLU 56 Cb 1.23 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.44 2krr h GLU 56 CO 0.61 -0.31 -0.61 -1.54 -1.00 0.00 0.00 179.01 176.16 2krr s SER 57 N -4.87 0.62 0.47 1.42 1.04 -1.26 -4.93 113.70 106.19 2krr s SER 57 Ca -0.16 -1.42 0.23 0.00 0.48 0.00 0.00 55.95 55.09 2krr s SER 57 Cb 0.09 0.32 1.24 0.00 0.10 0.00 0.00 66.02 67.78 2krr s SER 57 CO 0.65 -0.82 1.87 0.00 0.98 0.00 0.00 173.24 175.92 2krr h ALA 58 N 2.50 2.45 0.15 5.32 0.00 -1.93 -0.92 119.26 126.83 2krr h ALA 58 Ca -0.36 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.56 2krr h ALA 58 Cb 1.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2krr h ALA 58 CO 0.55 -0.72 -0.47 0.93 0.00 0.00 0.00 179.25 179.54 2krr h GLU 59 N 0.24 -0.70 0.00 0.00 5.08 -1.98 0.18 114.58 117.40 2krr h GLU 59 Ca 0.44 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.80 2krr h GLU 59 Cb 1.36 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2krr h GLU 59 CO -0.11 -0.46 -0.23 -0.44 -1.00 0.00 0.00 179.01 176.77 2krr h ASP 60 N -0.72 0.00 -0.02 1.42 3.32 -1.76 -0.33 116.42 118.33 2krr h ASP 60 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2krr h ASP 60 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2krr h ASP 60 CO -0.25 0.23 -0.00 0.25 -1.72 0.00 0.00 179.24 177.75 2krr h LEU 61 N 0.00 0.04 0.07 1.55 7.12 -0.22 -2.99 115.31 120.88 2krr h LEU 61 Ca -0.00 -0.32 -0.25 0.00 0.13 0.00 0.00 57.88 57.43 2krr h LEU 61 Cb 0.79 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2krr h LEU 61 CO 0.03 0.35 -1.20 -0.33 -0.13 0.00 0.00 178.44 177.16 2krr h GLU 62 N -0.28 0.16 -0.58 1.25 5.08 -0.69 -3.33 114.58 116.19 2krr h GLU 62 Ca 0.01 -0.27 0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2krr h GLU 62 Cb 0.33 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 2krr h GLU 62 CO 0.00 1.10 0.00 0.87 -1.00 0.00 0.00 179.01 179.98 2krr h LYS 63 N 0.04 0.12 -0.48 2.33 1.79 -1.08 0.27 116.57 119.55 2krr h LYS 63 Ca -0.10 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.47 2krr h LYS 63 Cb 1.90 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.50 2krr h LYS 63 CO 0.17 0.08 0.34 0.00 -1.08 0.00 0.00 179.45 178.95 2krr h ALA 64 N 1.53 2.26 0.00 3.86 0.00 -1.63 0.34 119.26 125.62 2krr h ALA 64 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2krr h ALA 64 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2krr h ALA 64 CO -0.49 -0.38 0.00 -0.07 0.00 0.00 0.00 179.25 178.30 2krr h LEU 65 N 0.15 0.00 0.00 0.00 3.38 -0.65 -3.33 115.31 114.86 2krr h LEU 65 Ca 0.23 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2krr h LEU 65 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2krr h LEU 65 CO -0.03 0.00 -1.11 -0.62 0.09 0.00 0.00 178.44 176.76 2krr n GLU 66 N -2.55 0.54 -0.56 1.13 -0.58 0.10 -4.96 120.64 113.76 2krr n GLU 66 Ca 0.05 0.56 -0.30 0.00 -0.42 0.00 0.00 57.16 57.05 2krr n GLU 66 Cb 0.45 -1.73 0.27 0.00 -0.57 0.00 0.00 31.44 29.86 2krr n GLU 66 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2krr s LEU 67 N -7.94 -0.27 0.29 -4.62 0.05 -0.09 -5.07 118.68 101.02 2krr s LEU 67 Ca -0.26 0.99 -0.00 0.00 0.05 0.00 0.00 54.13 54.91 2krr s LEU 67 Cb 0.05 -2.61 -0.02 0.00 -2.05 0.00 0.00 46.19 41.56 2krr s LEU 67 CO 0.50 -4.82 0.31 0.28 -0.55 0.00 0.00 176.35 172.08 2krr s THR 68 N -2.46 0.00 0.00 5.48 -1.32 -1.26 -4.94 115.64 111.13 2krr s THR 68 Ca 0.69 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 2krr s THR 68 Cb -0.16 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2krr s THR 68 CO 0.59 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2krr n GLY 69 N -0.48 0.96 3.52 6.08 0.00 -1.26 -5.04 105.19 108.97 2krr n GLY 69 Ca 0.03 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.87 4.57 0.04 0.99 1.43 -1.26 -5.06 118.68 118.51 2krr s LEU 70 Ca 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2krr s LEU 70 Cb 0.00 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2krr s LEU 70 CO 0.00 -0.25 -0.04 -1.59 0.23 0.00 0.00 176.35 174.69 2krr s LYS 71 N 1.72 0.47 -0.07 1.70 0.00 -1.26 -1.95 119.74 120.35 2krr s LYS 71 Ca 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 55.97 55.16 2krr s LYS 71 Cb -0.18 0.01 0.03 0.00 0.00 0.00 0.00 37.83 37.69 2krr s LYS 71 CO 0.10 -0.04 0.16 0.08 0.00 0.00 0.00 175.35 175.66 2krr s VAL 72 N -2.14 -0.03 -2.03 1.79 1.01 0.76 -4.66 120.40 115.10 2krr s VAL 72 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2krr s VAL 72 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2krr s VAL 72 CO -0.03 0.05 0.00 0.49 0.00 0.00 0.00 175.10 175.61 2krr n PHE 73 N 3.89 -0.29 0.00 5.22 3.72 -1.26 -2.06 117.46 126.68 2krr n PHE 73 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2krr n PHE 73 Cb 0.54 -3.50 0.00 0.00 -0.94 0.00 0.00 39.48 35.57 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 -0.52 3.02 3.76 1.37 0.00 -1.26 -5.02 105.19 106.53 2krr n GLY 74 Ca -0.21 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 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 7.21 -0.42 1.61 0.01 -0.87 -4.98 114.94 117.49 2krr s ASN 75 Ca 0.00 2.29 -0.28 0.00 -0.71 0.00 0.00 52.86 54.16 2krr s ASN 75 Cb 0.00 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2krr s ASN 75 CO 0.00 -0.20 1.05 -0.70 -1.51 0.00 0.00 177.10 175.74 2krr s GLU 76 N -1.29 3.78 1.04 -0.60 -6.30 -1.26 -0.17 118.70 113.89 2krr s GLU 76 Ca 0.46 0.59 -0.12 0.00 -2.50 0.00 0.00 54.97 53.40 2krr s GLU 76 Cb -0.33 -3.86 0.21 0.00 0.00 0.00 0.00 34.13 30.16 2krr s GLU 76 CO 0.41 -1.18 1.08 0.96 0.02 0.00 0.00 175.26 176.55 2krr s ILE 77 N 4.00 2.07 -0.06 -3.70 -5.25 -0.82 -4.78 121.20 112.66 2krr s ILE 77 Ca 0.44 0.02 -0.01 0.00 -0.99 0.00 0.00 60.65 60.11 2krr s ILE 77 Cb -0.09 -2.41 0.03 0.00 2.95 0.00 0.00 42.46 42.93 2krr s ILE 77 CO 0.25 -0.03 0.01 -0.54 -1.79 0.00 0.00 174.94 172.84 2krr s LYS 78 N -4.85 0.48 -0.02 0.37 1.02 0.99 -4.82 119.74 112.91 2krr s LYS 78 Ca 0.66 0.14 -0.17 0.00 0.02 0.00 0.00 55.97 56.62 2krr s LYS 78 Cb -0.20 -0.85 -0.05 0.00 -0.52 0.00 0.00 37.83 36.20 2krr s LYS 78 CO 0.59 -0.28 0.46 -0.51 -0.92 0.00 0.00 175.35 174.69 2krr s LEU 79 N 1.88 4.42 0.00 3.17 1.43 -1.26 -0.08 118.68 128.25 2krr s LEU 79 Ca 0.03 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 2krr s LEU 79 Cb -0.12 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2krr s LEU 79 CO -0.04 0.22 0.29 -0.62 0.23 0.00 0.00 176.35 176.42 2krr n GLU 80 N 2.37 0.42 -4.59 1.70 -0.58 0.24 -4.98 120.64 115.21 2krr n GLU 80 Ca -0.11 -1.71 -0.34 0.00 -0.42 0.00 0.00 57.16 54.58 2krr n GLU 80 Cb 0.52 1.63 -0.12 0.00 -0.57 0.00 0.00 31.44 32.90 2krr n GLU 80 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2krr s LYS 81 N -2.50 3.17 0.38 3.49 1.02 -1.26 -0.64 119.74 123.41 2krr s LYS 81 Ca 0.18 -0.57 -0.06 0.00 0.02 0.00 0.00 55.97 55.53 2krr s LYS 81 Cb -0.00 -2.70 0.10 0.00 -0.52 0.00 0.00 37.83 34.70 2krr s LYS 81 CO 0.13 0.43 0.34 -0.35 -0.92 0.00 0.00 175.35 174.98 2krr n PRO 82 N 2.92 -1.69 -2.30 -1.68 -0.04 -1.26 -4.81 135.00 126.15 2krr n PRO 82 Ca -0.18 -0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 62.39 2krr n PRO 82 Cb 0.53 -0.51 -0.00 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 -3.77 3.43 0.01 0.54 -2.85 -1.26 -5.06 119.74 110.78 2krr s LYS 83 Ca 0.22 1.55 0.05 0.00 -1.00 0.00 0.00 55.97 56.79 2krr s LYS 83 Cb -0.02 -2.02 -0.02 0.00 -2.06 0.00 0.00 37.83 33.71 2krr s LYS 83 CO 0.17 -0.77 -0.14 0.20 0.10 0.00 0.00 175.35 174.90 2krr s GLY 84 N -1.84 0.75 -0.59 0.59 0.00 -1.26 -5.07 107.32 99.90 2krr s GLY 84 Ca 0.71 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.77 2krr s GLY 84 CO 0.26 -0.65 0.95 0.28 0.00 0.00 0.00 173.10 173.94 2krr n LYS 85 N 2.34 3.25 -4.31 2.90 5.02 -1.26 -4.97 118.16 121.13 2krr n LYS 85 Ca -0.16 -4.85 -0.20 0.00 -2.02 0.00 0.00 58.31 51.07 2krr n LYS 85 Cb 0.55 -2.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.20 2krr n LYS 85 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2krr s ASP 86 N -3.38 2.48 0.59 4.39 2.15 -1.26 -5.02 116.67 116.62 2krr s ASP 86 Ca 0.48 -0.87 0.29 0.00 0.43 0.00 0.00 52.55 52.89 2krr s ASP 86 Cb 0.27 -0.13 1.68 0.00 -0.30 0.00 0.00 42.92 44.45 2krr s ASP 86 CO -0.13 -0.08 2.12 -1.28 -0.17 0.00 0.00 175.17 175.62 2krr h SER 87 N 3.25 0.00 -0.26 -0.34 0.87 -2.04 -0.46 113.55 114.56 2krr h SER 87 Ca -0.41 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.22 2krr h SER 87 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2krr h SER 87 CO 0.52 0.00 0.27 0.11 -0.53 0.00 0.00 176.83 177.20 2krr h LYS 88 N 0.00 0.00 -0.41 2.24 1.79 -2.00 -0.20 116.57 118.00 2krr h LYS 88 Ca 0.07 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.66 2krr h LYS 88 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2krr h LYS 88 CO -0.00 0.00 0.37 1.57 -1.08 0.00 0.00 179.45 180.31 2krr h LYS 89 N 0.00 0.00 -0.34 3.15 5.09 -1.45 -1.50 116.57 121.52 2krr h LYS 89 Ca 0.12 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.93 2krr h LYS 89 Cb 0.67 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.94 2krr h LYS 89 CO -0.00 0.00 -0.06 1.49 -2.09 0.00 0.00 179.45 178.79 2krr h GLU 90 N 0.00 0.02 0.15 0.07 4.81 -1.24 0.24 114.58 118.62 2krr h GLU 90 Ca 0.19 -0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.14 2krr h GLU 90 Cb 0.92 -0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.33 2krr h GLU 90 CO -0.00 0.01 -1.19 0.00 -0.73 0.00 0.00 179.01 177.10 2krr h ARG 91 N 0.02 0.54 0.00 1.92 2.47 -1.51 -3.20 114.38 114.63 2krr h ARG 91 Ca 0.16 -0.78 0.00 0.00 -1.26 0.00 0.00 59.98 58.10 2krr h ARG 91 Cb 0.24 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2krr h ARG 91 CO -0.33 1.36 0.00 -0.44 0.56 0.00 0.00 179.97 181.12 2krr h ASP 92 N 0.12 0.00 0.52 7.04 5.19 -1.10 -0.58 116.42 127.60 2krr h ASP 92 Ca -0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2krr h ASP 92 Cb 1.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.40 2krr h ASP 92 CO 0.23 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.35 2krr n ALA 93 N -2.02 1.58 -0.32 3.45 0.00 0.81 -3.08 120.51 120.92 2krr n ALA 93 Ca -0.02 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2krr n ALA 93 Cb 0.09 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 18.54 2krr n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ARG 94 N 0.00 0.65 -4.96 0.00 3.08 -1.29 -3.39 114.38 108.48 2krr h ARG 94 Ca 0.00 -0.04 -0.47 0.00 0.07 0.00 0.00 59.98 59.54 2krr h ARG 94 Cb 0.26 -0.15 -0.30 0.00 0.08 0.00 0.00 29.97 29.86 2krr h ARG 94 CO 0.00 0.43 -0.81 0.99 -1.07 0.00 0.00 179.97 179.52 2krr s THR 95 N -5.91 1.02 0.20 2.04 2.01 -1.18 -2.50 115.64 111.32 2krr s THR 95 Ca -0.12 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2krr s THR 95 Cb 0.24 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2krr s THR 95 CO 0.79 0.30 0.17 -0.76 -0.69 0.00 0.00 174.62 174.43 2krr s LEU 96 N -0.01 3.83 0.05 4.42 2.01 0.90 -2.73 118.68 127.16 2krr s LEU 96 Ca -0.01 -0.16 0.09 0.00 0.01 0.00 0.00 54.13 54.06 2krr s LEU 96 Cb -0.08 -2.41 -0.03 0.00 0.01 0.00 0.00 46.19 43.68 2krr s LEU 96 CO 0.01 0.03 -0.25 -0.22 1.01 0.00 0.00 176.35 176.92 2krr s LEU 97 N -3.39 2.18 -0.00 1.79 2.96 0.98 -1.32 118.68 121.88 2krr s LEU 97 Ca 0.32 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2krr s LEU 97 Cb -0.09 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 2krr s LEU 97 CO 0.24 0.23 -0.05 0.00 -1.32 0.00 0.00 176.35 175.45 2krr s ALA 98 N -0.83 3.08 0.25 5.97 0.00 0.11 -0.00 121.76 130.35 2krr s ALA 98 Ca 0.11 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2krr s ALA 98 Cb -0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2krr s ALA 98 CO 0.02 0.62 0.20 0.15 0.00 0.00 0.00 175.76 176.75 2krr s LYS 99 N -1.41 1.43 -1.33 0.00 1.02 -0.78 -2.15 119.74 116.53 2krr s LYS 99 Ca 0.17 -1.78 -0.01 0.00 0.02 0.00 0.00 55.97 54.37 2krr s LYS 99 Cb -0.11 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2krr s LYS 99 CO 0.08 -0.50 0.18 -1.71 -0.92 0.00 0.00 175.35 172.47 2krr n ASN 100 N -0.79 -4.94 -4.89 2.83 5.15 -1.26 -2.39 115.26 108.96 2krr n ASN 100 Ca 0.04 -0.09 -0.33 0.00 -0.60 0.00 0.00 54.58 53.60 2krr n ASN 100 Cb 0.64 -3.96 -0.05 0.00 -0.53 0.00 0.00 39.78 35.89 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 -4.91 4.31 0.96 1.20 1.43 -1.26 -4.43 118.68 115.98 2krr s LEU 101 Ca 0.09 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 2krr s LEU 101 Cb -0.04 -2.67 0.16 0.00 0.03 0.00 0.00 46.19 43.67 2krr s LEU 101 CO 0.11 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 175.86 2krr s PRO 102 N -2.08 0.76 0.00 1.29 0.04 -1.26 -4.50 135.00 129.26 2krr s PRO 102 Ca 0.29 0.65 0.26 0.00 0.04 0.00 0.00 61.00 62.24 2krr s PRO 102 Cb -0.13 -1.77 1.39 0.00 0.04 0.00 0.00 34.50 34.04 2krr s PRO 102 CO 0.21 -2.53 1.90 0.66 0.04 0.00 0.00 177.00 177.27 2krr n TYR 103 N -4.06 0.00 0.44 0.56 4.01 -1.26 -2.62 117.16 114.23 2krr n TYR 103 Ca 0.06 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.85 2krr n TYR 103 Cb 0.56 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.21 2.63 -1.14 -0.72 2.85 -1.26 -1.14 118.16 118.17 2krr n LYS 104 Ca 0.14 -0.42 -0.35 0.00 -1.05 0.00 0.00 58.31 56.63 2krr n LYS 104 Cb 0.18 -1.04 0.08 0.00 -0.65 0.00 0.00 35.03 33.60 2krr n LYS 104 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2krr n VAL 105 N -0.54 1.27 -4.26 0.58 3.14 -1.08 -4.90 118.33 112.55 2krr n VAL 105 Ca 0.03 -0.35 -0.16 0.00 -2.96 0.00 0.00 64.34 60.91 2krr n VAL 105 Cb 0.19 -0.68 -0.09 0.00 -1.06 0.00 0.00 33.84 32.20 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 -2.03 0.13 0.06 1.55 2.01 -1.26 -4.61 115.64 111.49 2krr s THR 106 Ca 0.62 -2.00 -0.36 0.00 0.31 0.00 0.00 61.69 60.26 2krr s THR 106 Cb -0.31 -2.52 -0.20 0.00 0.01 0.00 0.00 72.50 69.49 2krr s THR 106 CO 0.61 0.00 1.54 1.56 -0.69 0.00 0.00 174.62 177.64 2krr h GLN 107 N 2.40 -1.21 -0.93 4.92 4.20 -1.97 -2.67 115.11 119.85 2krr h GLN 107 Ca -0.33 0.08 0.19 0.00 0.06 0.00 0.00 58.65 58.65 2krr h GLN 107 Cb 1.25 0.27 -0.08 0.00 0.30 0.00 0.00 27.48 29.22 2krr h GLN 107 CO 0.50 -0.81 0.60 0.22 -0.67 0.00 0.00 178.83 178.68 2krr h ASP 108 N -1.25 0.54 0.10 1.46 1.82 -1.98 -0.04 116.42 117.06 2krr h ASP 108 Ca -0.12 0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2krr h ASP 108 Cb 0.98 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.91 2krr h ASP 108 CO 0.17 0.21 -0.35 -0.33 -1.61 0.00 0.00 179.24 177.34 2krr h GLU 109 N 0.54 -0.49 0.00 0.28 4.39 -1.89 -1.58 114.58 115.83 2krr h GLU 109 Ca 0.50 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.20 2krr h GLU 109 Cb 1.06 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2krr h GLU 109 CO -0.23 -0.33 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.07 2krr h LEU 110 N -0.51 0.00 -0.57 1.33 3.38 -1.26 -2.10 115.31 115.57 2krr h LEU 110 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2krr h LEU 110 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2krr h LEU 110 CO -0.18 0.14 0.00 2.29 0.09 0.00 0.00 178.44 180.79 2krr n LYS 111 N -3.47 0.11 0.17 1.13 2.85 -0.07 -2.17 118.16 116.70 2krr n LYS 111 Ca -0.01 0.43 0.12 0.00 -1.05 0.00 0.00 58.31 57.81 2krr n LYS 111 Cb 0.31 -1.74 0.60 0.00 -0.65 0.00 0.00 35.03 33.55 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 4.39 -0.75 0.40 114.58 117.03 2krr h GLU 112 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2krr h GLU 112 Cb 0.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2krr h GLU 112 CO 0.00 0.00 -1.86 1.33 -1.16 0.00 0.00 179.01 177.32 2krr n VAL 113 N -2.34 0.84 -1.42 3.13 0.24 -0.92 -4.67 118.33 113.18 2krr n VAL 113 Ca -0.00 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 2krr n VAL 113 Cb 0.11 -1.70 0.09 0.00 -1.47 0.00 0.00 33.84 30.87 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 -3.68 3.01 0.22 6.34 1.16 -1.20 -4.65 117.46 118.66 2krr n PHE 114 Ca -0.30 -2.65 0.17 0.00 -1.87 0.00 0.00 57.45 52.80 2krr n PHE 114 Cb 0.72 -1.16 0.85 0.00 -1.61 0.00 0.00 39.48 38.27 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 1.81 0.00 0.00 3.97 -0.00 -0.47 0.37 114.58 120.26 2krr h GLU 115 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.92 2krr h GLU 115 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 2krr h GLU 115 CO 1.33 0.00 -0.01 0.22 -0.00 0.00 0.00 179.01 180.55 2krr h ASP 116 N 0.00 0.00 -2.68 3.06 3.58 -1.83 -3.47 116.42 115.08 2krr h ASP 116 Ca 0.08 -0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.00 2krr h ASP 116 Cb 0.45 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.73 2krr h ASP 116 CO -0.00 0.00 -1.19 0.00 -2.88 0.00 0.00 179.24 175.17 2krr n ALA 117 N -1.87 -3.92 0.23 -0.78 0.00 0.13 -4.94 120.51 109.36 2krr n ALA 117 Ca 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.63 2krr n ALA 117 Cb 0.46 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.41 -0.77 -2.70 0.00 0.00 -1.86 -3.47 119.26 109.04 2krr h ALA 118 Ca -0.44 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 2krr h ALA 118 Cb 1.30 0.24 -0.18 0.00 0.00 0.00 0.00 17.79 19.15 2krr h ALA 118 CO 0.30 -0.73 -0.70 -1.83 0.00 0.00 0.00 179.25 176.29 2krr s GLU 119 N -3.72 0.53 -0.05 0.00 -1.05 -0.63 -5.03 118.70 108.76 2krr s GLU 119 Ca -0.09 -0.93 0.01 0.00 -0.15 0.00 0.00 54.97 53.81 2krr s GLU 119 Cb 0.01 -0.02 0.02 0.00 -0.44 0.00 0.00 34.13 33.70 2krr s GLU 119 CO 0.27 -0.03 -0.06 0.42 0.95 0.00 0.00 175.26 176.81 2krr s ILE 120 N -2.45 0.65 -0.14 1.83 1.01 -1.26 -1.79 121.20 119.04 2krr s ILE 120 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2krr s ILE 120 Cb -0.03 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.83 2krr s ILE 120 CO -0.04 0.25 -0.00 -0.13 0.00 0.00 0.00 174.94 175.03 2krr s ARG 121 N 0.93 0.85 0.42 2.79 0.52 0.12 -5.00 118.95 119.57 2krr s ARG 121 Ca -0.11 -0.26 -0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2krr s ARG 121 Cb -0.14 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 2krr s ARG 121 CO 0.00 -0.47 0.68 -0.51 0.02 0.00 0.00 175.30 175.02 2krr s LEU 122 N 1.84 3.80 -0.36 2.53 2.01 -1.26 -0.07 118.68 127.17 2krr s LEU 122 Ca 0.02 0.70 -0.01 0.00 0.01 0.00 0.00 54.13 54.85 2krr s LEU 122 Cb -0.15 -3.62 0.09 0.00 0.01 0.00 0.00 46.19 42.52 2krr s LEU 122 CO -0.07 -0.45 0.11 -0.69 1.01 0.00 0.00 176.35 176.26 2krr s VAL 123 N -2.55 2.99 0.01 -1.59 1.01 -1.19 -4.87 120.40 114.21 2krr s VAL 123 Ca 0.44 -1.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.51 2krr s VAL 123 Cb -0.10 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2krr s VAL 123 CO 0.41 -0.49 -0.00 -0.94 0.00 0.00 0.00 175.10 174.07 2krr s SER 124 N 1.47 0.13 -0.04 3.32 1.04 -1.26 -0.13 113.70 118.22 2krr s SER 124 Ca 0.05 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.24 2krr s SER 124 Cb -0.21 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2krr s SER 124 CO -0.04 -0.18 -0.14 -0.75 0.98 0.00 0.00 173.24 173.11 2krr s LYS 125 N -0.87 1.51 -1.53 4.02 2.20 0.15 -4.71 119.74 120.52 2krr s LYS 125 Ca -0.09 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 2krr s LYS 125 Cb -0.06 -1.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.94 2krr s LYS 125 CO -0.00 0.16 0.00 -3.47 -0.36 0.00 0.00 175.35 171.68 2krr n ASP 126 N 3.32 -5.09 -0.14 1.43 2.03 -1.26 -2.06 116.55 114.77 2krr n ASP 126 Ca -0.19 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2krr n ASP 126 Cb 0.53 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 -0.73 0.91 3.03 0.27 0.00 -1.26 -5.08 105.19 102.33 2krr n GLY 127 Ca -0.14 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.24 0.18 1.00 1.61 -0.14 -0.88 -5.04 119.74 113.24 2krr s LYS 128 Ca 0.00 0.58 -0.14 0.00 -1.36 0.00 0.00 55.97 55.05 2krr s LYS 128 Cb 0.00 -0.11 0.06 0.00 -1.68 0.00 0.00 37.83 36.11 2krr s LYS 128 CO 0.00 -0.20 0.32 0.43 -0.76 0.00 0.00 175.35 175.14 2krr n SER 129 N 4.57 -2.11 -0.00 2.83 7.64 -0.29 -0.68 113.62 125.58 2krr n SER 129 Ca -0.19 0.19 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2krr n SER 129 Cb 0.52 -1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 2krr n SER 129 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2krr n LYS 130 N -1.94 3.04 0.00 1.43 4.76 0.81 -4.69 118.16 121.57 2krr n LYS 130 Ca 0.05 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2krr n LYS 130 Cb 0.56 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 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 1.33 1.05 3.40 0.72 0.00 -1.26 -5.07 105.19 105.36 2krr n GLY 131 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.05 -0.61 -5.25 -1.26 -4.08 121.20 108.06 2krr s ILE 132 Ca 0.00 -0.03 0.07 0.00 -0.99 0.00 0.00 60.65 59.70 2krr s ILE 132 Cb 0.00 -0.71 -0.03 0.00 2.95 0.00 0.00 42.46 44.67 2krr s ILE 132 CO 0.00 -0.02 -0.19 0.00 -1.79 0.00 0.00 174.94 172.95 2krr s ALA 133 N 0.09 1.58 -0.18 2.27 0.00 -0.91 -3.17 121.76 121.43 2krr s ALA 133 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2krr s ALA 133 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2krr s ALA 133 CO 0.01 0.33 -0.13 0.71 0.00 0.00 0.00 175.76 176.69 2krr s TYR 134 N -0.90 2.84 -0.09 0.00 2.02 0.90 0.09 117.35 122.20 2krr s TYR 134 Ca 0.05 -1.15 0.03 0.00 -0.37 0.00 0.00 57.07 55.63 2krr s TYR 134 Cb -0.09 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2krr s TYR 134 CO 0.02 -0.57 -0.17 0.96 -1.57 0.00 0.00 175.55 174.22 2krr s ILE 135 N 1.13 1.55 -0.45 2.71 -0.00 -0.44 0.16 121.20 125.87 2krr s ILE 135 Ca 0.01 -0.70 -0.13 0.00 -0.00 0.00 0.00 60.65 59.82 2krr s ILE 135 Cb -0.14 -1.39 0.07 0.00 -0.00 0.00 0.00 42.46 41.00 2krr s ILE 135 CO -0.04 0.45 0.34 -0.70 -0.00 0.00 0.00 174.94 174.99 2krr s GLU 136 N 0.68 2.85 0.95 0.37 2.12 -0.74 -0.07 118.70 124.86 2krr s GLU 136 Ca -0.13 -1.39 -0.14 0.00 0.36 0.00 0.00 54.97 53.68 2krr s GLU 136 Cb -0.16 -4.00 0.17 0.00 0.26 0.00 0.00 34.13 30.39 2krr s GLU 136 CO 0.03 -1.00 1.17 -0.06 -0.54 0.00 0.00 175.26 174.87 2krr s PHE 137 N 1.56 2.09 -0.02 5.30 0.40 -1.04 -1.60 117.98 124.68 2krr s PHE 137 Ca 0.04 0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 56.83 2krr s PHE 137 Cb -0.24 -3.53 -0.20 0.00 0.51 0.00 0.00 43.02 39.56 2krr s PHE 137 CO 0.05 -2.59 1.19 0.87 0.70 0.00 0.00 175.22 175.43 2krr h LYS 138 N -1.65 0.19 -4.17 0.44 6.56 -1.94 -3.45 116.57 112.55 2krr h LYS 138 Ca -0.48 -0.13 -0.16 0.00 -1.06 0.00 0.00 60.65 58.81 2krr h LYS 138 Cb 1.31 0.02 -0.18 0.00 -0.57 0.00 0.00 32.23 32.81 2krr h LYS 138 CO 0.54 0.75 -0.69 -0.08 -2.06 0.00 0.00 179.45 177.91 2krr s THR 139 N -3.79 0.22 0.28 -0.16 -1.32 -1.26 -5.03 115.64 104.58 2krr s THR 139 Ca -0.15 -1.33 0.01 0.00 -1.21 0.00 0.00 61.69 59.01 2krr s THR 139 Cb 0.02 -0.86 0.27 0.00 -1.51 0.00 0.00 72.50 70.42 2krr s THR 139 CO 0.73 -0.71 1.79 1.05 -2.21 0.00 0.00 174.62 175.27 2krr h GLU 140 N 3.95 0.77 0.00 7.08 9.09 -1.84 0.31 114.58 133.95 2krr h GLU 140 Ca -0.33 -0.05 -0.03 0.00 0.05 0.00 0.00 59.36 59.00 2krr h GLU 140 Cb 1.18 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 28.10 2krr h GLU 140 CO 0.52 0.51 -0.13 0.00 0.05 0.00 0.00 179.01 179.96 2krr h ALA 141 N 1.57 1.33 0.05 1.06 0.00 -1.90 0.30 119.26 121.67 2krr h ALA 141 Ca 0.50 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 55.03 2krr h ALA 141 Cb 0.65 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2krr h ALA 141 CO -0.33 0.16 -1.38 -0.44 0.00 0.00 0.00 179.25 177.26 2krr h ASP 142 N 0.00 0.16 0.00 0.00 5.19 -0.83 -3.17 116.42 117.77 2krr h ASP 142 Ca -0.00 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 2krr h ASP 142 Cb 0.34 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 2krr h ASP 142 CO 0.02 1.18 -0.19 0.00 -3.12 0.00 0.00 179.24 177.13 2krr h ALA 143 N 0.80 0.01 -0.64 3.45 0.00 -0.60 -2.06 119.26 120.22 2krr h ALA 143 Ca -0.17 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.72 2krr h ALA 143 Cb 1.93 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 2krr h ALA 143 CO 0.13 0.17 0.54 1.05 0.00 0.00 0.00 179.25 181.15 2krr h GLU 144 N -1.00 0.00 0.00 0.00 4.11 -0.63 -1.21 114.58 115.85 2krr h GLU 144 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 2krr h GLU 144 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2krr h GLU 144 CO -0.00 0.00 -0.48 -0.22 0.07 0.00 0.00 179.01 178.38 2krr h LYS 145 N 0.00 0.00 -0.57 1.06 3.64 -1.68 -3.33 116.57 115.69 2krr h LYS 145 Ca 0.30 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.85 2krr h LYS 145 Cb 1.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 2krr h LYS 145 CO -0.00 0.83 0.54 1.15 -2.27 0.00 0.00 179.45 179.70 2krr h THR 146 N -1.00 0.40 -0.06 1.00 2.02 -0.57 -1.07 112.91 113.64 2krr h THR 146 Ca -0.12 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2krr h THR 146 Cb 0.97 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 2krr h THR 146 CO -0.07 0.00 -0.42 0.15 0.37 0.00 0.00 175.52 175.55 2krr h PHE 147 N 0.00 -1.23 0.00 3.16 3.57 -1.37 0.32 116.94 121.39 2krr h PHE 147 Ca 0.27 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2krr h PHE 147 Cb 1.34 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 2krr h PHE 147 CO 0.00 -0.43 -0.20 1.05 -2.23 0.00 0.00 178.31 176.50 2krr h GLU 148 N -0.48 0.00 0.00 1.11 4.11 -1.64 0.12 114.58 117.81 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 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2krr h GLU 148 CO -0.31 0.01 -0.02 0.93 0.07 0.00 0.00 179.01 179.69 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.62 -3.28 114.58 116.13 2krr h GLU 149 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2krr h GLU 149 Cb 1.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2krr h GLU 149 CO 0.00 0.02 -1.17 1.63 -1.16 0.00 0.00 179.01 178.33 2krr n LYS 150 N -3.12 2.70 -1.55 2.33 4.01 0.11 -5.01 118.16 117.63 2krr n LYS 150 Ca 0.01 -0.01 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 2krr n LYS 150 Cb 0.37 -1.07 -0.00 0.00 -0.51 0.00 0.00 35.03 33.82 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 -1.98 1.09 0.00 1.97 -0.06 0.42 -3.40 117.38 115.42 2krr n GLN 151 Ca -0.03 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.35 2krr n GLN 151 Cb 0.46 -1.76 0.00 0.00 -4.06 0.00 0.00 30.24 24.88 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 1.38 0.94 3.90 1.69 0.00 -1.26 -4.94 105.19 106.90 2krr n GLY 152 Ca 0.10 0.00 -0.28 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 3.85 -0.08 2.61 -1.32 -1.22 -5.02 115.64 112.46 2krr s THR 153 Ca 0.00 0.25 0.04 0.00 -1.21 0.00 0.00 61.69 60.77 2krr s THR 153 Cb 0.00 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 2krr s THR 153 CO 0.00 -0.63 -0.20 -1.61 -2.21 0.00 0.00 174.62 169.97 2krr s GLU 154 N -5.09 2.57 -0.04 7.08 2.02 -1.26 -3.26 118.70 120.72 2krr s GLU 154 Ca 0.54 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2krr s GLU 154 Cb -0.11 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.15 2krr s GLU 154 CO 0.48 0.15 -0.02 0.42 0.02 0.00 0.00 175.26 176.31 2krr s ILE 155 N 0.39 0.34 -1.74 -1.63 1.09 0.12 -4.78 121.20 114.99 2krr s ILE 155 Ca -0.16 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 2krr s ILE 155 Cb -0.17 -0.40 0.00 0.00 -1.06 0.00 0.00 42.46 40.83 2krr s ILE 155 CO 0.07 0.18 0.00 -0.67 -0.10 0.00 0.00 174.94 174.42 2krr n ASP 156 N 4.08 -4.97 0.00 3.58 2.03 -1.26 -1.85 116.55 118.16 2krr n ASP 156 Ca -0.26 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2krr n ASP 156 Cb 0.51 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 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 -0.97 3.04 3.98 0.27 0.00 -1.26 -5.03 105.19 105.22 2krr n GLY 157 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.23 2.68 -0.32 1.61 1.70 -0.77 -5.05 118.95 118.57 2krr s ARG 158 Ca 0.00 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.26 2krr s ARG 158 Cb 0.00 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.79 2krr s ARG 158 CO 0.00 -0.53 0.18 -1.12 -1.08 0.00 0.00 175.30 172.75 2krr s SER 159 N -4.38 5.74 0.18 -2.89 0.01 -1.26 0.11 113.70 111.22 2krr s SER 159 Ca 0.56 -0.47 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 2krr s SER 159 Cb -0.10 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.99 2krr s SER 159 CO 0.37 -0.20 0.73 0.27 0.41 0.00 0.00 173.24 174.81 2krr s ILE 160 N 1.66 4.49 0.29 1.44 -4.36 -1.20 -4.89 121.20 118.64 2krr s ILE 160 Ca 0.05 1.47 0.10 0.00 -0.26 0.00 0.00 60.65 62.01 2krr s ILE 160 Cb -0.17 -3.99 -0.05 0.00 1.25 0.00 0.00 42.46 39.50 2krr s ILE 160 CO 0.08 0.39 -0.06 -0.44 0.24 0.00 0.00 174.94 175.15 2krr s SER 161 N -1.36 4.11 0.06 4.36 0.01 -1.01 -4.41 113.70 115.46 2krr s SER 161 Ca 0.38 -0.88 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2krr s SER 161 Cb -0.20 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 2krr s SER 161 CO 0.23 -0.06 -0.18 -0.76 0.41 0.00 0.00 173.24 172.88 2krr s LEU 162 N -3.63 2.21 -0.15 2.44 1.43 -1.26 -1.86 118.68 117.85 2krr s LEU 162 Ca 0.32 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2krr s LEU 162 Cb -0.04 -0.78 0.06 0.00 0.03 0.00 0.00 46.19 45.47 2krr s LEU 162 CO 0.18 0.07 0.33 -0.31 0.23 0.00 0.00 176.35 176.85 2krr s TYR 163 N -0.94 -0.52 0.41 0.29 2.02 1.00 -4.99 117.35 114.62 2krr s TYR 163 Ca 0.04 1.12 -0.24 0.00 -0.37 0.00 0.00 57.07 57.62 2krr s TYR 163 Cb -0.09 0.13 -0.09 0.00 -0.40 0.00 0.00 41.96 41.52 2krr s TYR 163 CO 0.02 -0.35 1.08 1.52 -1.57 0.00 0.00 175.55 176.26 2krr s TYR 164 N 1.91 3.17 -0.15 2.71 -0.85 -1.26 -0.01 117.35 122.87 2krr s TYR 164 Ca -0.05 1.61 -0.29 0.00 -0.52 0.00 0.00 57.07 57.83 2krr s TYR 164 Cb -0.11 -3.20 0.09 0.00 0.38 0.00 0.00 41.96 39.13 2krr s TYR 164 CO -0.10 -0.86 0.81 -0.08 -1.52 0.00 0.00 175.55 173.80 2krr s THR 165 N -1.62 0.00 0.00 -3.49 -1.32 -1.10 -4.85 115.64 103.25 2krr s THR 165 Ca 0.59 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 2krr s THR 165 Cb -0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 2krr s THR 165 CO 0.30 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 2krr n GLY 166 N 1.37 0.00 1.23 6.08 0.00 -1.23 -4.34 105.19 108.30 2krr n GLY 166 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.02 2krr n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2krr n GLU 167 N -1.72 -2.84 -1.50 1.61 1.02 -1.26 -4.89 120.64 111.06 2krr n GLU 167 Ca 0.00 2.32 -0.32 0.00 -0.02 0.00 0.00 57.16 59.14 2krr n GLU 167 Cb 0.35 -3.32 0.07 0.00 -0.02 0.00 0.00 31.44 28.52 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2krr s PRO 168 N -4.05 2.52 0.00 3.49 0.04 -1.26 -5.03 135.00 130.71 2krr s PRO 168 Ca 0.00 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.32 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 -1.45 0.06 1.63 0.04 0.00 0.00 177.00 177.27 2krr n LYS 169 N -2.99 0.00 -1.16 4.56 4.01 -1.26 -4.96 118.16 116.37 2krr n LYS 169 Ca 0.10 0.22 -0.05 0.00 -0.51 0.00 0.00 58.31 58.06 2krr n LYS 169 Cb 0.52 -0.76 -0.02 0.00 -0.51 0.00 0.00 35.03 34.26 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2krr n GLY 170 N 2.05 0.80 0.21 0.72 0.00 -1.26 -4.92 105.19 102.78 2krr n GLY 170 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 0.06 0.71 0.00 1.61 -0.00 -2.00 -3.39 114.58 111.57 2krr h GLU 171 Ca -0.11 -0.48 0.00 0.00 -0.00 0.00 0.00 59.36 58.77 2krr h GLU 171 Cb 0.38 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 2krr h GLU 171 CO 0.16 1.10 -0.38 0.41 -0.00 0.00 0.00 179.01 180.31 2krr n GLY 172 N 0.45 0.31 0.15 1.06 0.00 -1.26 -4.91 105.19 100.99 2krr n GLY 172 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.23 0.00 0.99 3.38 -1.97 -3.55 115.31 113.93 2krr h LEU 173 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2krr h LEU 173 Cb 1.30 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2krr h LEU 173 CO 0.00 0.29 0.00 1.21 0.09 0.00 0.00 178.44 180.03