#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 -0.33 0.09 2.61 -4.23 -1.26 -5.07 115.64 107.46 2krr s THR 2 Ca 0.00 0.12 -0.33 0.00 -1.18 0.00 0.00 61.69 60.30 2krr s THR 2 Cb 0.00 -0.66 -0.15 0.00 1.34 0.00 0.00 72.50 73.03 2krr s THR 2 CO 0.00 0.05 1.52 -0.33 -0.54 0.00 0.00 174.62 175.32 2krr h GLU 3 N 7.62 -0.78 -7.39 3.99 4.39 -2.04 -3.43 114.58 116.95 2krr h GLU 3 Ca -0.26 0.05 -0.42 0.00 0.34 0.00 0.00 59.36 59.07 2krr h GLU 3 Cb 1.15 0.18 0.18 0.00 -0.10 0.00 0.00 28.75 30.16 2krr h GLU 3 CO 0.20 -0.52 0.15 -1.25 -1.16 0.00 0.00 179.01 176.43 2krr s PRO 4 N -5.63 -0.86 0.00 2.33 0.04 -1.26 -4.97 135.00 124.65 2krr s PRO 4 Ca -0.16 0.06 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2krr s PRO 4 Cb 0.05 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2krr s PRO 4 CO 0.57 -3.50 0.00 0.25 0.04 0.00 0.00 177.00 174.36 2krr n THR 5 N -4.63 0.00 -4.50 1.26 -2.24 -1.26 -5.08 114.28 97.82 2krr n THR 5 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 2krr n THR 5 Cb 0.59 -0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 2krr n THR 5 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2krr n THR 6 N -2.61 0.00 0.87 4.28 -2.24 -1.26 -5.03 114.28 108.29 2krr n THR 6 Ca 0.00 -2.15 0.08 0.00 -2.27 0.00 0.00 64.05 59.71 2krr n THR 6 Cb 0.41 0.32 0.25 0.00 -2.10 0.00 0.00 70.33 69.22 2krr n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2krr n ALA 7 N -1.62 2.46 -3.38 6.98 0.00 -1.26 -4.75 120.51 118.95 2krr n ALA 7 Ca -0.19 -0.66 -0.39 0.00 0.00 0.00 0.00 53.44 52.21 2krr n ALA 7 Cb 0.58 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.58 3.36 0.07 0.00 0.40 -1.26 -5.06 117.98 113.91 2krr s PHE 8 Ca 0.30 -1.68 -0.09 0.00 -0.60 0.00 0.00 56.93 54.86 2krr s PHE 8 Cb 0.16 -2.83 -0.00 0.00 0.51 0.00 0.00 43.02 40.85 2krr s PHE 8 CO 0.22 -0.85 0.18 -0.80 0.70 0.00 0.00 175.22 174.68 2krr s ASN 9 N 1.90 0.10 0.02 1.36 -0.87 -1.26 -1.36 114.94 114.83 2krr s ASN 9 Ca 0.03 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 50.75 2krr s ASN 9 Cb -0.22 0.32 -0.02 0.00 -0.02 0.00 0.00 41.25 41.31 2krr s ASN 9 CO 0.01 -0.67 -0.03 -1.48 -2.57 0.00 0.00 177.10 172.36 2krr s LEU 10 N -2.61 2.20 -0.23 0.60 0.05 -0.47 -4.84 118.68 113.37 2krr s LEU 10 Ca 0.02 -0.41 -0.26 0.00 0.05 0.00 0.00 54.13 53.52 2krr s LEU 10 Cb 0.03 0.05 0.00 0.00 -2.05 0.00 0.00 46.19 44.22 2krr s LEU 10 CO -0.09 -0.23 0.92 0.12 -0.55 0.00 0.00 176.35 176.52 2krr s PHE 11 N -1.18 3.33 0.28 3.48 2.19 0.96 -1.61 117.98 125.44 2krr s PHE 11 Ca -0.12 1.28 0.09 0.00 0.33 0.00 0.00 56.93 58.51 2krr s PHE 11 Cb -0.08 -3.14 -0.04 0.00 -1.31 0.00 0.00 43.02 38.45 2krr s PHE 11 CO -0.01 -0.42 0.04 0.14 1.83 0.00 0.00 175.22 176.81 2krr s VAL 12 N 2.92 3.41 0.38 3.12 -7.23 0.58 0.11 120.40 123.69 2krr s VAL 12 Ca 0.39 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 2krr s VAL 12 Cb -0.15 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 33.90 2krr s VAL 12 CO 0.07 -0.33 0.60 -0.83 -0.31 0.00 0.00 175.10 174.31 2krr s GLY 13 N -3.72 1.19 -1.16 2.32 0.00 0.98 -1.44 107.32 105.48 2krr s GLY 13 Ca 0.33 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 2krr s GLY 13 CO 0.21 -0.78 0.80 -2.01 0.00 0.00 0.00 173.10 171.32 2krr n ASN 14 N -1.57 -4.52 -1.02 1.64 5.15 0.96 -0.01 115.26 115.89 2krr n ASN 14 Ca -0.02 -0.88 0.10 0.00 -0.60 0.00 0.00 54.58 53.17 2krr n ASN 14 Cb 0.61 -4.06 0.22 0.00 -0.53 0.00 0.00 39.78 36.02 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 -3.95 3.37 -1.29 1.20 4.77 -0.47 -3.05 117.00 117.59 2krr n LEU 15 Ca -0.14 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 2krr n LEU 15 Cb 0.62 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2krr n LEU 15 CO 0.65 0.80 -0.31 -3.20 -1.33 0.00 0.00 177.39 174.00 2krr n ASN 16 N 1.20 -6.85 -3.93 -1.43 5.15 -1.26 -4.85 115.26 103.30 2krr n ASN 16 Ca 0.18 0.89 -0.37 0.00 -0.60 0.00 0.00 54.58 54.68 2krr n ASN 16 Cb 0.54 -3.13 -0.04 0.00 -0.53 0.00 0.00 39.78 36.62 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 0.39 3.48 0.00 1.20 -1.74 -0.90 -4.50 117.46 115.39 2krr n PHE 17 Ca 0.00 -3.56 0.00 0.00 -0.56 0.00 0.00 57.45 53.33 2krr n PHE 17 Cb 0.00 -1.09 0.00 0.00 1.52 0.00 0.00 39.48 39.91 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 1.62 1.79 -4.00 5.98 3.02 -1.26 -5.02 115.26 117.40 2krr n ASN 18 Ca 0.26 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.53 2krr n ASN 18 Cb 0.37 0.00 0.18 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 -1.99 -0.98 -0.92 3.52 4.01 -1.26 -5.06 118.16 115.49 2krr n LYS 19 Ca 0.00 -2.16 -0.29 0.00 -0.51 0.00 0.00 58.31 55.36 2krr n LYS 19 Cb 0.23 -1.16 0.20 0.00 -0.51 0.00 0.00 35.03 33.79 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2krr s SER 20 N -5.54 2.14 0.04 4.39 0.01 -1.26 -4.90 113.70 108.58 2krr s SER 20 Ca 0.71 1.41 -0.32 0.00 1.31 0.00 0.00 55.95 59.06 2krr s SER 20 Cb -0.02 -2.11 -0.18 0.00 0.21 0.00 0.00 66.02 63.91 2krr s SER 20 CO 0.49 -3.46 1.36 0.00 0.41 0.00 0.00 173.24 172.04 2krr h ALA 21 N -2.12 -1.14 0.00 1.44 0.00 -1.97 -2.86 119.26 112.61 2krr h ALA 21 Ca -0.56 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2krr h ALA 21 Cb 1.32 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2krr h ALA 21 CO 0.53 -1.07 0.00 -0.35 0.00 0.00 0.00 179.25 178.36 2krr n PRO 22 N -5.54 0.10 0.14 0.00 -0.04 -1.26 -2.15 135.00 126.25 2krr n PRO 22 Ca -0.14 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2krr n PRO 22 Cb 0.45 -1.50 0.18 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 -0.20 0.54 4.39 -1.87 -3.31 114.58 114.13 2krr h GLU 23 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 2krr h GLU 23 Cb 0.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2krr h GLU 23 CO 0.00 0.00 -0.69 -0.07 -1.16 0.00 0.00 179.01 177.09 2krr h LEU 24 N 0.00 0.95 -0.67 1.33 -0.00 -1.31 -3.23 115.31 112.38 2krr h LEU 24 Ca 0.00 -0.58 0.12 0.00 -0.00 0.00 0.00 57.88 57.42 2krr h LEU 24 Cb 0.90 -0.28 -0.09 0.00 -0.00 0.00 0.00 40.66 41.19 2krr h LEU 24 CO 0.00 1.38 0.22 0.11 -0.00 0.00 0.00 178.44 180.15 2krr h LYS 25 N 0.59 0.36 0.08 1.13 1.57 -1.72 -1.63 116.57 116.94 2krr h LYS 25 Ca -0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2krr h LYS 25 Cb 1.32 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 2krr h LYS 25 CO 0.15 0.24 -0.45 1.15 -0.57 0.00 0.00 179.45 179.97 2krr h THR 26 N 0.37 0.00 -0.36 -0.16 2.02 -1.72 -0.14 112.91 112.92 2krr h THR 26 Ca 0.35 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.60 2krr h THR 26 Cb 0.51 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.86 2krr h THR 26 CO -0.38 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 176.67 2krr h GLY 27 N -0.62 0.28 0.16 2.16 0.00 -1.56 0.29 103.07 103.78 2krr h GLY 27 Ca -0.00 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.50 2krr h GLY 27 CO -0.26 -0.12 -0.18 -2.22 0.00 0.00 0.00 176.54 173.76 2krr h ILE 28 N 0.02 0.48 0.00 2.60 2.04 -0.94 0.14 117.51 121.87 2krr h ILE 28 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2krr h ILE 28 Cb 0.26 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2krr h ILE 28 CO -0.35 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.57 2krr h SER 29 N -0.13 0.00 0.50 1.72 4.64 -0.50 -3.19 113.55 116.59 2krr h SER 29 Ca 0.17 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2krr h SER 29 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2krr h SER 29 CO -0.41 0.00 -0.24 -0.78 -0.87 0.00 0.00 176.83 174.53 2krr h ASP 30 N 0.00 -0.56 -0.99 4.97 1.82 0.23 -0.73 116.42 121.15 2krr h ASP 30 Ca 0.00 0.02 0.22 0.00 -0.39 0.00 0.00 57.03 56.88 2krr h ASP 30 Cb 0.55 0.15 -0.12 0.00 0.68 0.00 0.00 39.33 40.59 2krr h ASP 30 CO 0.00 -0.16 0.58 1.62 -1.61 0.00 0.00 179.24 179.67 2krr h VAL 31 N -1.16 0.60 -0.09 2.25 3.04 -1.26 0.23 116.25 119.85 2krr h VAL 31 Ca -0.07 -0.22 -0.16 0.00 -1.01 0.00 0.00 66.70 65.24 2krr h VAL 31 Cb 0.51 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 2krr h VAL 31 CO 0.11 0.12 -0.64 -0.26 -1.01 0.00 0.00 177.57 175.89 2krr h PHE 32 N 0.63 0.47 0.00 3.17 0.04 -1.59 -2.94 116.94 116.72 2krr h PHE 32 Ca 0.61 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 2krr h PHE 32 Cb 1.08 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2krr h PHE 32 CO -0.02 0.90 -0.02 0.00 -0.60 0.00 0.00 178.31 178.57 2krr h ALA 33 N 1.05 1.34 0.00 2.45 0.00 0.10 0.02 119.26 124.22 2krr h ALA 33 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2krr h ALA 33 Cb 1.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2krr h ALA 33 CO 0.11 0.02 -0.64 1.57 0.00 0.00 0.00 179.25 180.31 2krr h LYS 34 N 0.00 0.00 -0.88 0.00 2.10 -1.26 -3.27 116.57 113.26 2krr h LYS 34 Ca -0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 2krr h LYS 34 Cb 0.07 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.25 2krr h LYS 34 CO 0.00 0.23 0.31 0.09 -2.00 0.00 0.00 179.45 178.09 2krr n ASN 35 N -3.03 3.97 -2.32 7.07 3.02 -0.17 -4.86 115.26 118.94 2krr n ASN 35 Ca -0.00 -3.03 -0.20 0.00 -0.03 0.00 0.00 54.58 51.31 2krr n ASN 35 Cb 0.67 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.29 -5.78 -4.47 6.41 9.92 -1.19 -4.96 116.55 116.18 2krr n ASP 36 Ca 0.36 0.04 -0.35 0.00 -0.53 0.00 0.00 54.79 54.32 2krr n ASP 36 Cb 1.24 -4.85 -0.12 0.00 -0.64 0.00 0.00 41.12 36.75 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 -5.89 3.40 -0.33 0.64 1.43 -0.27 -5.03 118.68 112.63 2krr s LEU 37 Ca 0.00 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2krr s LEU 37 Cb 0.00 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 2krr s LEU 37 CO 0.00 0.05 0.18 0.00 0.23 0.00 0.00 176.35 176.81 2krr s ALA 38 N 1.12 3.32 -0.11 4.21 0.00 -1.26 -3.41 121.76 125.64 2krr s ALA 38 Ca 0.03 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 2krr s ALA 38 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 2krr s ALA 38 CO 0.02 -1.00 0.31 0.14 0.00 0.00 0.00 175.76 175.23 2krr s VAL 39 N 1.62 5.25 0.08 0.00 -7.23 -1.26 -3.91 120.40 114.95 2krr s VAL 39 Ca 0.04 0.60 0.07 0.00 -1.81 0.00 0.00 61.98 60.89 2krr s VAL 39 Cb -0.17 -3.63 -0.22 0.00 0.56 0.00 0.00 36.38 32.91 2krr s VAL 39 CO 0.07 0.48 1.13 -0.37 -0.31 0.00 0.00 175.10 176.09 2krr h VAL 40 N 4.29 1.50 -2.29 1.32 -1.51 -1.27 -3.48 116.25 114.81 2krr h VAL 40 Ca -0.46 -3.23 0.05 0.00 -1.23 0.00 0.00 66.70 61.84 2krr h VAL 40 Cb 1.19 2.77 -0.16 0.00 -2.13 0.00 0.00 31.29 32.96 2krr h VAL 40 CO 0.69 0.87 0.40 -0.62 -1.23 0.00 0.00 177.57 177.68 2krr s ASP 41 N -6.63 -0.45 -0.02 4.19 -1.08 -1.20 -4.98 116.67 106.49 2krr s ASP 41 Ca -0.01 0.15 -0.01 0.00 -0.52 0.00 0.00 52.55 52.17 2krr s ASP 41 Cb 0.09 0.44 0.02 0.00 -1.46 0.00 0.00 42.92 42.01 2krr s ASP 41 CO 0.83 -0.65 0.04 -0.69 0.52 0.00 0.00 175.17 175.22 2krr s VAL 42 N -2.70 -0.04 0.10 1.11 1.01 -1.26 -0.05 120.40 118.57 2krr s VAL 42 Ca 0.01 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.18 2krr s VAL 42 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 2krr s VAL 42 CO -0.06 0.06 0.03 -0.60 0.00 0.00 0.00 175.10 174.53 2krr s ARG 43 N 0.74 2.63 0.06 2.72 3.52 0.87 -4.90 118.95 124.59 2krr s ARG 43 Ca -0.06 -0.84 0.09 0.00 -0.13 0.00 0.00 55.73 54.79 2krr s ARG 43 Cb -0.09 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.70 2krr s ARG 43 CO -0.02 0.53 -0.24 0.42 -0.81 0.00 0.00 175.30 175.18 2krr s ILE 44 N -1.41 1.95 0.95 4.11 -1.09 -1.26 -1.13 121.20 123.33 2krr s ILE 44 Ca 0.27 -1.40 -0.15 0.00 -2.23 0.00 0.00 60.65 57.15 2krr s ILE 44 Cb -0.11 -1.70 0.17 0.00 -1.58 0.00 0.00 42.46 39.24 2krr s ILE 44 CO 0.20 0.23 1.22 -0.83 -1.23 0.00 0.00 174.94 174.52 2krr s GLY 45 N -1.41 1.66 0.00 6.18 0.00 0.11 -4.90 107.32 108.96 2krr s GLY 45 Ca 0.10 -0.89 0.31 0.00 0.00 0.00 0.00 44.72 44.24 2krr s GLY 45 CO 0.03 -0.21 2.09 1.15 0.00 0.00 0.00 173.10 176.16 2krr n MET 46 N -3.82 0.75 0.00 2.90 0.00 -1.26 -3.05 117.12 112.64 2krr n MET 46 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 57.70 57.79 2krr n MET 46 Cb 0.60 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.30 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 -1.06 0.00 -2.24 3.17 5.66 -1.26 -4.99 114.28 113.56 2krr n THR 47 Ca 0.19 -0.36 -0.19 0.00 -3.05 0.00 0.00 64.05 60.63 2krr n THR 47 Cb 0.20 1.07 -0.02 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.63 -1.52 -0.00 1.09 3.00 -1.17 -4.67 116.66 112.76 2krr n ARG 48 Ca 0.03 0.98 0.01 0.00 -0.01 0.00 0.00 57.85 58.86 2krr n ARG 48 Cb 0.18 -5.52 -0.01 0.00 0.00 0.00 0.00 32.46 27.11 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 -2.79 5.44 -3.88 5.56 2.85 -1.26 -2.11 118.16 121.97 2krr n LYS 49 Ca -0.22 -0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.91 2krr n LYS 49 Cb 0.67 -0.64 -0.00 0.00 -0.65 0.00 0.00 35.03 34.41 2krr n LYS 49 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 2krr n PHE 50 N -1.12 -1.87 -2.13 5.58 1.16 -1.26 -0.03 117.46 117.79 2krr n PHE 50 Ca 0.00 -2.13 0.00 0.00 -1.87 0.00 0.00 57.45 53.45 2krr n PHE 50 Cb 0.02 0.72 0.00 0.00 -1.61 0.00 0.00 39.48 38.61 2krr n PHE 50 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2krr n GLY 51 N -0.56 -0.60 3.11 4.97 0.00 -0.52 0.04 105.19 111.64 2krr n GLY 51 Ca -0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.36 0.71 -0.07 1.61 1.51 -0.28 -0.31 117.35 117.16 2krr s TYR 52 Ca 0.00 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.29 2krr s TYR 52 Cb 0.00 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.44 2krr s TYR 52 CO 0.00 -0.17 -0.08 0.08 -1.11 0.00 0.00 175.55 174.28 2krr s VAL 53 N -2.78 0.83 -0.14 0.71 1.01 -0.63 -0.09 120.40 119.31 2krr s VAL 53 Ca 0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2krr s VAL 53 Cb -0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2krr s VAL 53 CO -0.04 0.30 0.06 -1.81 0.00 0.00 0.00 175.10 173.62 2krr s ASP 54 N 1.03 5.70 0.12 3.32 1.01 0.93 -1.37 116.67 127.41 2krr s ASP 54 Ca -0.09 0.19 0.10 0.00 0.71 0.00 0.00 52.55 53.46 2krr s ASP 54 Cb -0.14 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2krr s ASP 54 CO -0.00 0.29 -0.21 -0.36 0.21 0.00 0.00 175.17 175.10 2krr s PHE 55 N -0.32 2.47 0.44 4.23 0.40 -0.47 -0.78 117.98 123.96 2krr s PHE 55 Ca 0.09 -0.30 0.22 0.00 -0.60 0.00 0.00 56.93 56.34 2krr s PHE 55 Cb -0.12 -1.32 1.21 0.00 0.51 0.00 0.00 43.02 43.29 2krr s PHE 55 CO 0.02 0.36 1.83 0.93 0.70 0.00 0.00 175.22 179.06 2krr h GLU 56 N 3.82 0.29 -3.41 0.44 5.08 -1.88 -3.41 114.58 115.50 2krr h GLU 56 Ca -0.50 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2krr h GLU 56 Cb 1.17 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 2krr h GLU 56 CO 0.44 0.19 0.02 -1.12 -1.00 0.00 0.00 179.01 177.53 2krr s SER 57 N -5.45 -0.13 0.62 1.42 0.01 -1.26 -4.96 113.70 103.95 2krr s SER 57 Ca -0.08 -0.83 0.38 0.00 1.31 0.00 0.00 55.95 56.73 2krr s SER 57 Cb 0.23 0.65 2.05 0.00 0.21 0.00 0.00 66.02 69.16 2krr s SER 57 CO 0.79 -1.23 2.27 0.00 0.41 0.00 0.00 173.24 175.47 2krr h ALA 58 N 2.15 1.16 0.56 1.44 0.00 -1.95 -2.69 119.26 119.93 2krr h ALA 58 Ca -0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2krr h ALA 58 Cb 1.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2krr h ALA 58 CO 0.31 0.02 -0.42 0.93 0.00 0.00 0.00 179.25 180.09 2krr h GLU 59 N 0.00 -0.91 -0.25 0.00 5.08 -1.96 0.23 114.58 116.76 2krr h GLU 59 Ca -0.00 0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2krr h GLU 59 Cb 0.10 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2krr h GLU 59 CO 0.00 -0.61 -0.36 -0.44 -1.00 0.00 0.00 179.01 176.60 2krr h ASP 60 N -0.95 0.57 0.33 1.42 5.19 -1.91 -0.22 116.42 120.84 2krr h ASP 60 Ca -0.06 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.09 2krr h ASP 60 Cb 0.80 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2krr h ASP 60 CO 0.01 0.88 -0.16 0.25 -3.12 0.00 0.00 179.24 177.11 2krr h LEU 61 N 0.46 -0.37 -0.65 1.55 6.46 -1.26 -2.09 115.31 119.40 2krr h LEU 61 Ca 0.05 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.67 2krr h LEU 61 Cb 0.84 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 2krr h LEU 61 CO 0.07 -0.25 -0.47 -0.33 -0.62 0.00 0.00 178.44 176.84 2krr h GLU 62 N -0.46 0.49 -0.71 1.25 5.08 -0.55 -3.13 114.58 116.56 2krr h GLU 62 Ca -0.04 -0.28 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2krr h GLU 62 Cb 0.35 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 2krr h GLU 62 CO 0.07 0.86 0.35 0.87 -1.00 0.00 0.00 179.01 180.17 2krr h LYS 63 N 0.40 0.59 -0.27 2.33 1.57 -0.86 0.72 116.57 121.05 2krr h LYS 63 Ca 0.02 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2krr h LYS 63 Cb 0.97 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2krr h LYS 63 CO 0.09 0.39 0.27 0.00 -0.57 0.00 0.00 179.45 179.62 2krr h ALA 64 N 1.43 1.98 0.00 3.86 0.00 -1.32 0.31 119.26 125.52 2krr h ALA 64 Ca 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2krr h ALA 64 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2krr h ALA 64 CO -0.26 -0.40 -0.37 -0.07 0.00 0.00 0.00 179.25 178.14 2krr h LEU 65 N 0.00 0.00 0.00 0.00 3.38 -0.97 -3.35 115.31 114.38 2krr h LEU 65 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2krr h LEU 65 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2krr h LEU 65 CO -0.00 0.24 -0.28 -0.33 0.09 0.00 0.00 178.44 178.16 2krr h GLU 66 N 0.00 0.00 -6.85 1.13 4.39 -0.15 -3.47 114.58 109.63 2krr h GLU 66 Ca -0.01 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.31 2krr h GLU 66 Cb 1.19 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 30.05 2krr h GLU 66 CO 0.03 0.74 -0.23 1.47 -1.16 0.00 0.00 179.01 179.86 2krr n LEU 67 N -4.61 -1.12 -4.12 1.33 -0.00 -0.54 -5.06 117.00 102.88 2krr n LEU 67 Ca -0.12 -0.55 -0.11 0.00 -0.00 0.00 0.00 56.01 55.23 2krr n LEU 67 Cb 0.41 -1.04 -0.08 0.00 -0.00 0.00 0.00 43.42 42.70 2krr n LEU 67 CO 0.23 -3.95 -0.11 0.28 -0.00 0.00 0.00 177.39 173.84 2krr s THR 68 N -2.20 0.01 0.00 1.47 -1.32 -1.26 -4.94 115.64 107.40 2krr s THR 68 Ca 0.63 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 2krr s THR 68 Cb -0.15 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 2krr s THR 68 CO 0.57 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 2krr n GLY 69 N -0.28 0.91 3.54 6.08 0.00 -1.26 -5.03 105.19 109.14 2krr n GLY 69 Ca -0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.69 4.46 0.02 0.99 1.43 -1.26 -5.04 118.68 118.59 2krr s LEU 70 Ca 0.00 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2krr s LEU 70 Cb 0.00 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 2krr s LEU 70 CO 0.00 -0.61 0.13 -1.59 0.23 0.00 0.00 176.35 174.51 2krr s LYS 71 N 2.54 0.53 -0.04 1.70 0.00 -1.26 -2.42 119.74 120.78 2krr s LYS 71 Ca 0.20 -0.53 -0.02 0.00 0.00 0.00 0.00 55.97 55.62 2krr s LYS 71 Cb -0.15 0.22 0.03 0.00 0.00 0.00 0.00 37.83 37.93 2krr s LYS 71 CO 0.15 -0.13 0.09 0.08 0.00 0.00 0.00 175.35 175.55 2krr s VAL 72 N -1.84 -0.04 -1.88 1.79 1.01 0.85 -4.68 120.40 115.61 2krr s VAL 72 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2krr s VAL 72 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2krr s VAL 72 CO -0.01 0.07 0.00 0.49 0.00 0.00 0.00 175.10 175.65 2krr n PHE 73 N 4.01 -0.63 0.00 5.22 3.72 -1.26 -2.06 117.46 126.46 2krr n PHE 73 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2krr n PHE 73 Cb 0.52 -3.64 0.00 0.00 -0.94 0.00 0.00 39.48 35.42 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 -0.73 2.90 3.75 1.37 0.00 -1.26 -5.02 105.19 106.20 2krr n GLY 74 Ca -0.22 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 7.19 -0.41 1.61 0.01 -0.87 -4.98 114.94 117.48 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 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2krr s ASN 75 CO 0.00 -0.22 1.06 -0.70 -1.51 0.00 0.00 177.10 175.73 2krr s GLU 76 N -1.18 3.82 0.75 -0.60 2.12 -1.26 -0.11 118.70 122.23 2krr s GLU 76 Ca 0.47 0.67 -0.13 0.00 0.36 0.00 0.00 54.97 56.33 2krr s GLU 76 Cb -0.33 -3.85 0.05 0.00 0.26 0.00 0.00 34.13 30.27 2krr s GLU 76 CO 0.41 -1.16 1.15 0.96 -0.54 0.00 0.00 175.26 176.08 2krr s ILE 77 N 4.00 2.69 -0.15 -3.70 -5.25 -1.01 -4.74 121.20 113.03 2krr s ILE 77 Ca 0.45 0.29 0.02 0.00 -0.99 0.00 0.00 60.65 60.42 2krr s ILE 77 Cb -0.10 -2.75 0.01 0.00 2.95 0.00 0.00 42.46 42.58 2krr s ILE 77 CO 0.25 -0.22 -0.21 -0.54 -1.79 0.00 0.00 174.94 172.43 2krr s LYS 78 N -4.23 3.02 -0.06 0.37 1.02 0.98 -4.82 119.74 116.02 2krr s LYS 78 Ca 0.69 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 2krr s LYS 78 Cb -0.24 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 2krr s LYS 78 CO 0.48 -0.08 0.41 -0.51 -0.92 0.00 0.00 175.35 174.72 2krr s LEU 79 N 0.98 4.38 0.37 3.17 1.02 -1.26 -0.02 118.68 127.32 2krr s LEU 79 Ca -0.03 0.84 -0.08 0.00 0.02 0.00 0.00 54.13 54.89 2krr s LEU 79 Cb -0.15 -2.58 0.03 0.00 0.02 0.00 0.00 46.19 43.51 2krr s LEU 79 CO -0.06 0.19 0.61 -1.61 0.02 0.00 0.00 176.35 175.51 2krr s GLU 80 N -0.31 2.08 -0.04 1.70 0.41 0.31 -4.99 118.70 117.87 2krr s GLU 80 Ca 0.23 -1.65 0.03 0.00 -0.41 0.00 0.00 54.97 53.17 2krr s GLU 80 Cb -0.16 0.52 -0.03 0.00 -1.78 0.00 0.00 34.13 32.69 2krr s GLU 80 CO 0.11 -0.92 -0.11 0.21 -0.49 0.00 0.00 175.26 174.06 2krr s LYS 81 N -2.66 2.54 0.93 1.61 2.20 -1.26 -0.03 119.74 123.07 2krr s LYS 81 Ca 0.24 -0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 55.01 2krr s LYS 81 Cb -0.02 -2.44 0.23 0.00 -1.51 0.00 0.00 37.83 34.08 2krr s LYS 81 CO 0.17 0.62 0.83 -0.35 -0.36 0.00 0.00 175.35 176.26 2krr n PRO 82 N 2.08 -2.64 0.00 4.03 -0.04 -1.26 -4.76 135.00 132.41 2krr n PRO 82 Ca -0.17 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 2krr n PRO 82 Cb 0.52 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2krr n PRO 82 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2krr n LYS 83 N -4.04 0.00 0.00 0.54 4.81 -1.26 -5.04 118.16 113.16 2krr n LYS 83 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2krr n LYS 83 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 2krr n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2krr n GLY 84 N -0.04 0.91 3.46 3.14 0.00 -1.26 -5.03 105.19 106.38 2krr n GLY 84 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 2krr n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2krr n LYS 85 N 0.00 -1.72 -2.72 1.61 4.76 -1.26 -4.95 118.16 113.88 2krr n LYS 85 Ca 0.00 0.67 -0.36 0.00 -2.87 0.00 0.00 58.31 55.75 2krr n LYS 85 Cb 0.00 -4.98 -0.06 0.00 -1.84 0.00 0.00 35.03 28.15 2krr n LYS 85 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2krr s ASP 86 N -3.42 7.09 0.16 4.39 1.47 -1.26 -4.96 116.67 120.13 2krr s ASP 86 Ca 0.46 1.87 0.24 0.00 1.18 0.00 0.00 52.55 56.30 2krr s ASP 86 Cb -0.11 -2.57 0.29 0.00 -0.34 0.00 0.00 42.92 40.18 2krr s ASP 86 CO 0.80 -0.25 1.29 0.77 0.68 0.00 0.00 175.17 178.46 2krr h SER 87 N 2.72 0.00 0.00 2.11 4.64 -2.06 -3.31 113.55 117.65 2krr h SER 87 Ca -0.48 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2krr h SER 87 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2krr h SER 87 CO 0.63 0.07 0.07 0.11 -0.87 0.00 0.00 176.83 176.84 2krr h LYS 88 N 0.00 0.00 -0.95 4.77 6.56 -2.02 -2.08 116.57 122.85 2krr h LYS 88 Ca 0.00 0.00 0.27 0.00 -1.06 0.00 0.00 60.65 59.86 2krr h LYS 88 Cb 0.82 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.44 2krr h LYS 88 CO 0.00 0.00 0.72 0.87 -2.06 0.00 0.00 179.45 178.98 2krr h LYS 89 N 0.00 0.00 0.08 3.15 1.79 -1.93 0.26 116.57 119.91 2krr h LYS 89 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2krr h LYS 89 Cb 0.13 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 2krr h LYS 89 CO 0.00 0.00 -0.48 0.93 -1.08 0.00 0.00 179.45 178.82 2krr h GLU 90 N 0.00 -0.63 0.00 3.15 4.39 -1.69 0.27 114.58 120.06 2krr h GLU 90 Ca 0.45 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.19 2krr h GLU 90 Cb 1.88 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2krr h GLU 90 CO -0.00 -0.42 -0.60 0.00 -1.16 0.00 0.00 179.01 176.83 2krr h ARG 91 N -0.66 0.00 0.00 2.33 3.08 -1.60 -3.25 114.38 114.28 2krr h ARG 91 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2krr h ARG 91 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2krr h ARG 91 CO -0.28 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.15 2krr n ASP 92 N -2.80 0.00 -0.04 7.04 2.03 0.83 -2.86 116.55 120.76 2krr n ASP 92 Ca 0.02 0.16 0.13 0.00 0.52 0.00 0.00 54.79 55.62 2krr n ASP 92 Cb 0.54 -0.38 0.49 0.00 -0.72 0.00 0.00 41.12 41.05 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr n ALA 93 N -1.38 2.86 -0.14 -1.67 0.00 0.91 -0.52 120.51 120.58 2krr n ALA 93 Ca 0.10 -0.23 0.27 0.00 0.00 0.00 0.00 53.44 53.58 2krr n ALA 93 Cb 0.26 -1.31 0.72 0.00 0.00 0.00 0.00 19.45 19.12 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 0.17 0.00 -5.33 0.00 3.08 -1.74 -3.38 114.38 107.18 2krr h ARG 94 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2krr h ARG 94 Cb 0.46 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.21 2krr h ARG 94 CO 0.00 0.00 -0.81 0.99 -1.07 0.00 0.00 179.97 179.08 2krr s THR 95 N -4.94 2.63 0.26 2.04 2.01 -1.25 -0.82 115.64 115.57 2krr s THR 95 Ca -0.05 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.19 2krr s THR 95 Cb 0.21 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2krr s THR 95 CO 0.74 0.54 0.34 -0.76 -0.69 0.00 0.00 174.62 174.79 2krr s LEU 96 N 0.34 4.12 0.06 4.42 2.01 0.11 -1.08 118.68 128.65 2krr s LEU 96 Ca -0.14 -0.07 0.06 0.00 0.01 0.00 0.00 54.13 53.99 2krr s LEU 96 Cb -0.17 -2.69 -0.03 0.00 0.01 0.00 0.00 46.19 43.31 2krr s LEU 96 CO 0.07 -0.13 -0.17 -0.22 1.01 0.00 0.00 176.35 176.91 2krr s LEU 97 N -3.98 2.21 -0.17 1.79 2.96 0.10 -1.43 118.68 120.16 2krr s LEU 97 Ca 0.36 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2krr s LEU 97 Cb -0.09 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2krr s LEU 97 CO 0.28 0.06 -0.11 0.00 -1.32 0.00 0.00 176.35 175.27 2krr s ALA 98 N -0.95 2.66 0.46 5.97 0.00 0.13 0.19 121.76 130.21 2krr s ALA 98 Ca 0.04 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2krr s ALA 98 Cb -0.09 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 2krr s ALA 98 CO 0.02 -0.07 0.02 0.15 0.00 0.00 0.00 175.76 175.89 2krr s LYS 99 N 0.87 2.09 -1.15 0.00 1.02 0.07 -1.86 119.74 120.77 2krr s LYS 99 Ca -0.03 -2.23 -0.06 0.00 0.02 0.00 0.00 55.97 53.67 2krr s LYS 99 Cb -0.15 -1.62 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 2krr s LYS 99 CO 0.00 -0.21 0.76 -1.71 -0.92 0.00 0.00 175.35 173.28 2krr n ASN 100 N -1.14 -5.40 -4.68 2.83 5.15 -1.26 -1.90 115.26 108.86 2krr n ASN 100 Ca -0.11 -0.35 -0.35 0.00 -0.60 0.00 0.00 54.58 53.17 2krr n ASN 100 Cb 0.67 -4.10 -0.09 0.00 -0.53 0.00 0.00 39.78 35.72 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 -5.80 3.71 1.18 1.20 1.43 -1.25 -4.37 118.68 114.78 2krr s LEU 101 Ca 0.38 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.44 2krr s LEU 101 Cb -0.17 -1.88 0.28 0.00 0.03 0.00 0.00 46.19 44.45 2krr s LEU 101 CO 0.47 0.31 1.11 -2.16 0.23 0.00 0.00 176.35 176.31 2krr s PRO 102 N -0.47 -1.05 0.00 1.29 0.04 -1.26 -4.34 135.00 129.21 2krr s PRO 102 Ca 0.09 0.00 0.28 0.00 0.04 0.00 0.00 61.00 61.42 2krr s PRO 102 Cb -0.12 -1.61 1.17 0.00 0.04 0.00 0.00 34.50 33.98 2krr s PRO 102 CO 0.02 -3.61 1.82 0.66 0.04 0.00 0.00 177.00 175.93 2krr n TYR 103 N -4.70 0.00 -1.08 0.56 4.01 -1.26 -3.44 117.16 111.25 2krr n TYR 103 Ca 0.12 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 2krr n TYR 103 Cb 0.59 -0.16 0.22 0.00 -0.31 0.00 0.00 39.34 39.68 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 -0.87 2.34 -3.38 -0.72 2.85 -1.26 -3.41 118.16 113.71 2krr n LYS 104 Ca 0.14 -2.82 -0.31 0.00 -1.05 0.00 0.00 58.31 54.27 2krr n LYS 104 Cb 0.29 -1.75 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 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 -2.90 4.95 0.13 0.58 0.11 -1.22 -5.09 120.40 116.96 2krr s VAL 105 Ca 0.40 0.37 0.05 0.00 -2.93 0.00 0.00 61.98 59.87 2krr s VAL 105 Cb 0.33 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 2krr s VAL 105 CO 0.06 -0.14 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.67 2krr s THR 106 N -1.90 1.27 0.26 5.04 2.01 -1.26 -4.75 115.64 116.31 2krr s THR 106 Ca 0.47 -1.85 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 2krr s THR 106 Cb -0.11 -1.64 0.31 0.00 0.01 0.00 0.00 72.50 71.07 2krr s THR 106 CO 0.24 -0.54 1.63 -0.61 -0.69 0.00 0.00 174.62 174.64 2krr h GLN 107 N 3.23 0.10 -0.58 4.92 4.15 -1.98 0.92 115.11 125.87 2krr h GLN 107 Ca -0.38 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.15 2krr h GLN 107 Cb 1.20 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.75 2krr h GLN 107 CO 0.55 0.07 -0.16 0.22 -1.93 0.00 0.00 178.83 177.58 2krr h ASP 108 N 0.11 -0.59 -1.00 -0.69 1.82 -1.96 0.38 116.42 114.48 2krr h ASP 108 Ca 0.46 0.18 0.25 0.00 -0.39 0.00 0.00 57.03 57.53 2krr h ASP 108 Cb 0.86 0.38 -0.08 0.00 0.68 0.00 0.00 39.33 41.17 2krr h ASP 108 CO -0.71 -0.20 0.65 1.05 -1.61 0.00 0.00 179.24 178.42 2krr h GLU 109 N -0.02 0.37 0.00 0.28 -0.00 -1.22 0.30 114.58 114.29 2krr h GLU 109 Ca 0.28 -0.02 -0.20 0.00 -0.00 0.00 0.00 59.36 59.41 2krr h GLU 109 Cb 0.44 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 29.07 2krr h GLU 109 CO -0.61 0.25 -1.21 -0.07 -0.00 0.00 0.00 179.01 177.37 2krr h LEU 110 N 0.38 0.00 0.00 3.06 3.38 -0.39 -3.26 115.31 118.48 2krr h LEU 110 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2krr h LEU 110 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2krr h LEU 110 CO -0.24 0.80 0.00 2.29 0.09 0.00 0.00 178.44 181.38 2krr n LYS 111 N -3.12 0.03 0.00 1.13 2.85 0.95 -2.49 118.16 117.51 2krr n LYS 111 Ca -0.07 0.15 0.13 0.00 -1.05 0.00 0.00 58.31 57.47 2krr n LYS 111 Cb 0.91 -1.50 0.58 0.00 -0.65 0.00 0.00 35.03 34.37 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 -1.48 0.10 -0.06 -1.58 1.02 -0.39 -1.48 120.64 116.77 2krr n GLU 112 Ca 0.05 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 2krr n GLU 112 Cb 0.23 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2krr n VAL 113 N -1.45 0.67 -1.57 2.62 0.24 -1.04 -4.70 118.33 113.11 2krr n VAL 113 Ca 0.08 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.34 61.91 2krr n VAL 113 Cb 0.28 -1.49 0.08 0.00 -1.47 0.00 0.00 33.84 31.23 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 -3.39 2.84 0.34 6.34 1.16 -1.17 -4.69 117.46 118.88 2krr n PHE 114 Ca -0.23 -2.54 0.19 0.00 -1.87 0.00 0.00 57.45 53.00 2krr n PHE 114 Cb 0.68 -0.95 1.03 0.00 -1.61 0.00 0.00 39.48 38.63 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 1.89 0.00 0.00 3.97 4.81 -1.52 0.46 114.58 124.19 2krr h GLU 115 Ca 0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2krr h GLU 115 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2krr h GLU 115 CO 1.16 0.00 -0.48 0.22 -0.73 0.00 0.00 179.01 179.18 2krr h ASP 116 N 0.00 0.00 -2.18 1.04 3.58 -1.85 -3.47 116.42 113.54 2krr h ASP 116 Ca 0.00 -0.11 -0.46 0.00 0.42 0.00 0.00 57.03 56.88 2krr h ASP 116 Cb 0.32 0.00 0.24 0.00 1.72 0.00 0.00 39.33 41.61 2krr h ASP 116 CO -0.00 0.06 -1.26 0.00 -2.88 0.00 0.00 179.24 175.16 2krr n ALA 117 N -1.91 -4.34 0.13 -0.78 0.00 0.16 -4.96 120.51 108.81 2krr n ALA 117 Ca 0.03 -1.30 -0.06 0.00 0.00 0.00 0.00 53.44 52.11 2krr n ALA 117 Cb 0.47 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.96 -0.52 -2.30 0.00 0.00 -1.86 -3.48 119.26 109.14 2krr h ALA 118 Ca -0.52 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 2krr h ALA 118 Cb 1.36 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 2krr h ALA 118 CO 0.37 -0.49 -0.67 -1.83 0.00 0.00 0.00 179.25 176.63 2krr s GLU 119 N -2.84 0.84 -0.00 0.00 -1.05 -0.68 -5.03 118.70 109.93 2krr s GLU 119 Ca -0.05 -1.36 0.02 0.00 -0.15 0.00 0.00 54.97 53.42 2krr s GLU 119 Cb 0.01 0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 2krr s GLU 119 CO 0.16 -0.14 -0.07 0.42 0.95 0.00 0.00 175.26 176.58 2krr s ILE 120 N -3.85 0.54 -0.14 1.83 1.01 -1.26 -2.27 121.20 117.06 2krr s ILE 120 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2krr s ILE 120 Cb 0.07 -0.46 0.07 0.00 0.01 0.00 0.00 42.46 42.15 2krr s ILE 120 CO -0.03 0.15 0.26 -0.13 0.00 0.00 0.00 174.94 175.19 2krr s ARG 121 N -0.17 0.16 0.33 2.79 1.81 0.13 -4.99 118.95 119.00 2krr s ARG 121 Ca 0.03 0.71 -0.00 0.00 -1.72 0.00 0.00 55.73 54.75 2krr s ARG 121 Cb -0.03 -0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2krr s ARG 121 CO -0.00 -0.32 0.54 -1.17 -0.68 0.00 0.00 175.30 173.67 2krr s LEU 122 N 2.42 4.03 -0.36 2.53 2.96 -1.26 0.15 118.68 129.16 2krr s LEU 122 Ca 0.02 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2krr s LEU 122 Cb -0.12 -3.32 0.09 0.00 0.50 0.00 0.00 46.19 43.33 2krr s LEU 122 CO -0.09 -0.27 0.10 -0.69 -1.32 0.00 0.00 176.35 174.09 2krr s VAL 123 N -2.26 2.97 0.01 1.68 1.01 -1.11 -4.88 120.40 117.82 2krr s VAL 123 Ca 0.40 -1.89 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2krr s VAL 123 Cb -0.10 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2krr s VAL 123 CO 0.35 -0.47 -0.03 -0.94 0.00 0.00 0.00 175.10 174.01 2krr s SER 124 N 1.45 0.27 0.00 3.32 1.04 -1.26 -1.44 113.70 117.09 2krr s SER 124 Ca 0.04 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.35 2krr s SER 124 Cb -0.21 0.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 2krr s SER 124 CO -0.04 -0.05 -0.13 -0.75 0.98 0.00 0.00 173.24 173.25 2krr s LYS 125 N -0.42 1.01 -1.42 4.02 2.20 0.86 -4.76 119.74 121.23 2krr s LYS 125 Ca -0.03 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 2krr s LYS 125 Cb -0.03 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 2krr s LYS 125 CO -0.00 0.26 0.10 -3.47 -0.36 0.00 0.00 175.35 171.89 2krr n ASP 126 N 2.51 -5.08 -0.66 1.43 2.03 -1.26 -1.66 116.55 113.85 2krr n ASP 126 Ca -0.15 -0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.01 2krr n ASP 126 Cb 0.55 -4.12 -0.04 0.00 -0.72 0.00 0.00 41.12 36.79 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 -1.09 1.04 2.99 0.27 0.00 -1.26 -5.00 105.19 102.13 2krr n GLY 127 Ca -0.18 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.65 0.67 0.56 1.61 -0.14 -0.67 -5.14 119.74 113.99 2krr s LYS 128 Ca 0.00 -0.27 -0.20 0.00 -1.36 0.00 0.00 55.97 54.15 2krr s LYS 128 Cb 0.00 -0.65 -0.05 0.00 -1.68 0.00 0.00 37.83 35.46 2krr s LYS 128 CO 0.00 0.14 1.21 -1.12 -0.76 0.00 0.00 175.35 174.82 2krr s SER 129 N -0.07 5.40 0.06 2.83 0.01 -1.22 -0.10 113.70 120.62 2krr s SER 129 Ca 0.01 2.40 0.23 0.00 1.31 0.00 0.00 55.95 59.90 2krr s SER 129 Cb -0.04 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2krr s SER 129 CO -0.00 -1.45 0.92 0.29 0.41 0.00 0.00 173.24 173.41 2krr n LYS 130 N -1.33 0.40 0.00 12.44 4.76 -0.52 -4.74 118.16 129.17 2krr n LYS 130 Ca 0.12 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2krr n LYS 130 Cb 0.49 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 1.32 1.49 3.28 0.72 0.00 -1.26 -5.02 105.19 105.72 2krr n GLY 131 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.05 0.02 -0.61 -4.36 -1.26 -3.94 121.20 109.09 2krr s ILE 132 Ca 0.00 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.03 2krr s ILE 132 Cb 0.00 -0.66 -0.01 0.00 1.25 0.00 0.00 42.46 43.04 2krr s ILE 132 CO 0.00 -0.21 -0.07 0.00 0.24 0.00 0.00 174.94 174.90 2krr s ALA 133 N -1.21 0.58 -0.08 2.27 0.00 -0.78 -2.75 121.76 119.81 2krr s ALA 133 Ca -0.12 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2krr s ALA 133 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2krr s ALA 133 CO 0.05 0.08 -0.24 0.71 0.00 0.00 0.00 175.76 176.36 2krr s TYR 134 N -0.62 2.47 -0.04 0.00 2.02 0.12 0.17 117.35 121.47 2krr s TYR 134 Ca -0.02 -0.90 0.02 0.00 -0.37 0.00 0.00 57.07 55.81 2krr s TYR 134 Cb -0.05 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2krr s TYR 134 CO 0.00 -0.33 -0.09 0.96 -1.57 0.00 0.00 175.55 174.52 2krr s ILE 135 N 0.14 0.86 -0.44 2.71 -0.00 -0.52 0.18 121.20 124.14 2krr s ILE 135 Ca -0.12 -0.36 -0.11 0.00 -0.00 0.00 0.00 60.65 60.06 2krr s ILE 135 Cb -0.16 -0.79 0.08 0.00 -0.00 0.00 0.00 42.46 41.58 2krr s ILE 135 CO 0.07 0.28 0.31 -0.70 -0.00 0.00 0.00 174.94 174.90 2krr s GLU 136 N 0.51 2.74 0.74 0.37 2.12 -0.96 0.04 118.70 124.26 2krr s GLU 136 Ca -0.09 -1.42 -0.08 0.00 0.36 0.00 0.00 54.97 53.74 2krr s GLU 136 Cb -0.12 -3.91 0.07 0.00 0.26 0.00 0.00 34.13 30.43 2krr s GLU 136 CO 0.02 -0.98 1.07 -0.06 -0.54 0.00 0.00 175.26 174.77 2krr s PHE 137 N 1.50 2.88 -0.01 5.30 0.40 0.00 -1.69 117.98 126.36 2krr s PHE 137 Ca 0.03 0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 56.67 2krr s PHE 137 Cb -0.23 -3.31 -0.23 0.00 0.51 0.00 0.00 43.02 39.76 2krr s PHE 137 CO 0.04 -1.56 1.09 0.87 0.70 0.00 0.00 175.22 176.37 2krr h LYS 138 N -0.76 0.33 -3.69 0.44 6.56 -1.95 -3.45 116.57 114.04 2krr h LYS 138 Ca -0.45 -0.33 -0.14 0.00 -1.06 0.00 0.00 60.65 58.67 2krr h LYS 138 Cb 1.32 0.09 -0.20 0.00 -0.57 0.00 0.00 32.23 32.87 2krr h LYS 138 CO 0.61 1.01 -0.53 -0.08 -2.06 0.00 0.00 179.45 178.40 2krr s THR 139 N -3.27 0.11 0.59 -0.16 -1.32 -1.26 -5.02 115.64 105.30 2krr s THR 139 Ca -0.14 -0.88 0.29 0.00 -1.21 0.00 0.00 61.69 59.75 2krr s THR 139 Cb 0.03 -0.58 0.36 0.00 -1.51 0.00 0.00 72.50 70.80 2krr s THR 139 CO 0.79 -0.48 2.05 -0.08 -2.21 0.00 0.00 174.62 174.69 2krr h GLU 140 N 4.09 0.00 -0.39 7.08 4.81 -1.84 0.58 114.58 128.91 2krr h GLU 140 Ca -0.32 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 2krr h GLU 140 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2krr h GLU 140 CO 0.44 0.00 -0.18 0.00 -0.73 0.00 0.00 179.01 178.55 2krr h ALA 141 N 1.69 0.95 0.07 2.92 0.00 -1.93 0.29 119.26 123.25 2krr h ALA 141 Ca 0.12 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 2krr h ALA 141 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2krr h ALA 141 CO -0.00 0.61 -1.46 -0.44 0.00 0.00 0.00 179.25 177.96 2krr h ASP 142 N 0.66 0.24 0.23 0.00 5.19 -1.37 -3.13 116.42 118.24 2krr h ASP 142 Ca 0.10 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2krr h ASP 142 Cb 0.67 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2krr h ASP 142 CO 0.05 1.29 -0.11 0.00 -3.12 0.00 0.00 179.24 177.35 2krr h ALA 143 N 0.68 -0.30 -0.40 3.45 0.00 -1.08 0.96 119.26 122.56 2krr h ALA 143 Ca -0.21 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2krr h ALA 143 Cb 1.97 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2krr h ALA 143 CO 0.14 -0.28 0.35 1.05 0.00 0.00 0.00 179.25 180.50 2krr h GLU 144 N -1.08 0.00 0.00 0.00 4.11 -0.62 -1.15 114.58 115.84 2krr h GLU 144 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2krr h GLU 144 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2krr h GLU 144 CO 0.05 0.00 -0.28 -0.22 0.07 0.00 0.00 179.01 178.63 2krr h LYS 145 N 0.00 0.00 -1.07 1.06 3.64 -1.61 -3.35 116.57 115.24 2krr h LYS 145 Ca 0.19 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.88 2krr h LYS 145 Cb 0.88 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 2krr h LYS 145 CO -0.00 0.22 0.82 1.15 -2.27 0.00 0.00 179.45 179.37 2krr h THR 146 N -1.00 0.39 0.25 1.00 2.02 -0.48 0.26 112.91 115.35 2krr h THR 146 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2krr h THR 146 Cb 0.42 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2krr h THR 146 CO -0.02 0.00 -0.46 0.15 0.37 0.00 0.00 175.52 175.56 2krr h PHE 147 N 0.00 -1.32 0.00 3.16 3.57 -1.35 0.13 116.94 121.13 2krr h PHE 147 Ca 0.51 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.03 2krr h PHE 147 Cb 2.14 0.54 0.00 0.00 2.79 0.00 0.00 35.95 41.42 2krr h PHE 147 CO 0.00 -0.56 -0.36 1.05 -2.23 0.00 0.00 178.31 176.20 2krr h GLU 148 N -0.77 0.00 0.00 1.11 4.11 -1.47 0.15 114.58 117.71 2krr h GLU 148 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2krr h GLU 148 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2krr h GLU 148 CO -0.17 0.00 0.00 0.93 0.07 0.00 0.00 179.01 179.84 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.24 -3.30 114.58 116.49 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 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2krr h GLU 149 CO 0.00 0.00 -0.92 1.63 -1.16 0.00 0.00 179.01 178.56 2krr n LYS 150 N -2.68 3.14 -1.47 2.33 4.76 0.42 -4.99 118.16 119.67 2krr n LYS 150 Ca 0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 2krr n LYS 150 Cb 0.36 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2krr n GLN 151 N -1.80 0.66 0.00 1.97 7.27 0.53 -3.79 117.38 122.22 2krr n GLN 151 Ca 0.00 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2krr n GLN 151 Cb 0.38 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.49 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 1.71 1.10 3.75 1.69 0.00 -1.26 -4.94 105.19 107.23 2krr n GLY 152 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.11 -0.04 2.61 -1.32 -1.25 -5.00 115.64 111.76 2krr s THR 153 Ca 0.00 0.36 0.06 0.00 -1.21 0.00 0.00 61.69 60.90 2krr s THR 153 Cb 0.00 -2.84 -0.01 0.00 -1.51 0.00 0.00 72.50 68.14 2krr s THR 153 CO 0.00 -0.47 -0.20 -1.61 -2.21 0.00 0.00 174.62 170.13 2krr s GLU 154 N -4.91 1.91 -0.08 7.08 2.02 -1.26 -3.59 118.70 119.87 2krr s GLU 154 Ca 0.62 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.84 2krr s GLU 154 Cb -0.17 -1.71 0.04 0.00 0.10 0.00 0.00 34.13 32.38 2krr s GLU 154 CO 0.56 0.36 0.20 0.42 0.02 0.00 0.00 175.26 176.82 2krr s ILE 155 N -0.22 -0.03 -1.98 -1.63 1.09 0.42 -4.84 121.20 114.00 2krr s ILE 155 Ca 0.01 0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.69 2krr s ILE 155 Cb -0.11 -0.31 0.00 0.00 -1.06 0.00 0.00 42.46 40.99 2krr s ILE 155 CO 0.01 0.05 0.00 -0.67 -0.10 0.00 0.00 174.94 174.23 2krr n ASP 156 N 3.95 -5.64 0.00 3.58 2.03 -1.26 -1.39 116.55 117.82 2krr n ASP 156 Ca -0.23 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2krr n ASP 156 Cb 0.54 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 36.12 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 -0.71 2.91 3.00 0.27 0.00 -1.26 -5.01 105.19 104.39 2krr n GLY 157 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.52 0.01 -4.05 1.61 1.85 -0.48 -5.07 116.66 110.01 2krr n ARG 158 Ca 0.00 -2.08 -0.31 0.00 -1.00 0.00 0.00 57.85 54.46 2krr n ARG 158 Cb 0.00 -0.54 -0.16 0.00 -1.05 0.00 0.00 32.46 30.71 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 -4.16 2.97 0.15 2.89 0.01 -1.26 -0.44 113.70 113.85 2krr s SER 159 Ca 0.51 -0.62 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2krr s SER 159 Cb -0.03 -1.28 -0.07 0.00 0.21 0.00 0.00 66.02 64.85 2krr s SER 159 CO 0.34 -0.06 0.90 0.27 0.41 0.00 0.00 173.24 175.10 2krr s ILE 160 N 1.41 4.39 0.18 1.44 -4.36 -1.24 -4.89 121.20 118.13 2krr s ILE 160 Ca 0.04 1.96 0.07 0.00 -0.26 0.00 0.00 60.65 62.46 2krr s ILE 160 Cb -0.14 -4.27 -0.04 0.00 1.25 0.00 0.00 42.46 39.27 2krr s ILE 160 CO -0.11 0.41 0.03 -0.55 0.24 0.00 0.00 174.94 174.96 2krr s SER 161 N -0.51 4.93 0.08 4.36 0.15 -0.80 -4.47 113.70 117.45 2krr s SER 161 Ca 0.42 -0.35 0.09 0.00 0.70 0.00 0.00 55.95 56.81 2krr s SER 161 Cb -0.24 -1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 2krr s SER 161 CO 0.29 0.08 -0.23 -0.76 1.20 0.00 0.00 173.24 173.82 2krr s LEU 162 N -3.04 2.24 -0.16 3.45 1.43 -1.26 -0.75 118.68 120.58 2krr s LEU 162 Ca 0.28 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2krr s LEU 162 Cb -0.09 -1.04 0.07 0.00 0.03 0.00 0.00 46.19 45.16 2krr s LEU 162 CO 0.20 0.15 0.35 -0.31 0.23 0.00 0.00 176.35 176.97 2krr s TYR 163 N -0.96 -0.58 0.24 0.29 2.02 0.13 -4.96 117.35 113.53 2krr s TYR 163 Ca 0.09 1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 57.70 2krr s TYR 163 Cb -0.10 0.18 -0.10 0.00 -0.40 0.00 0.00 41.96 41.54 2krr s TYR 163 CO 0.03 -0.37 1.41 1.52 -1.57 0.00 0.00 175.55 176.57 2krr s TYR 164 N 1.98 3.06 0.00 2.71 -0.85 -1.26 0.03 117.35 123.03 2krr s TYR 164 Ca -0.05 1.07 0.00 0.00 -0.52 0.00 0.00 57.07 57.58 2krr s TYR 164 Cb -0.11 -3.78 0.00 0.00 0.38 0.00 0.00 41.96 38.46 2krr s TYR 164 CO -0.11 -2.50 0.00 -2.37 -1.52 0.00 0.00 175.55 169.05 2krr n THR 165 N 2.32 0.00 -2.73 -3.49 5.66 -0.24 -4.84 114.28 110.96 2krr n THR 165 Ca 0.06 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.02 2krr n THR 165 Cb 0.41 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.00 1.66 3.43 1.09 0.00 0.32 -4.31 105.19 107.38 2krr n GLY 166 Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.53 0.03 -0.72 1.61 0.28 -1.26 -4.84 120.64 115.21 2krr n GLU 167 Ca 0.03 0.06 -0.21 0.00 -0.16 0.00 0.00 57.16 56.88 2krr n GLU 167 Cb 0.82 -1.83 0.17 0.00 1.43 0.00 0.00 31.44 32.04 2krr n GLU 167 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2krr n PRO 168 N -1.09 -2.49 -4.22 3.44 -0.04 -1.26 -5.08 135.00 124.27 2krr n PRO 168 Ca 0.08 -1.21 -0.23 0.00 -0.04 0.00 0.00 63.50 62.11 2krr n PRO 168 Cb 0.52 -1.13 -0.17 0.00 -0.04 0.00 0.00 33.50 32.68 2krr n PRO 168 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2krr s LYS 169 N -4.72 1.16 0.00 0.54 -0.14 -1.26 -4.74 119.74 110.58 2krr s LYS 169 Ca 0.49 -0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 2krr s LYS 169 Cb -0.05 -1.12 0.00 0.00 -1.68 0.00 0.00 37.83 34.98 2krr s LYS 169 CO 0.38 -0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.28 2krr n GLY 170 N 4.20 0.55 0.38 -3.33 0.00 -1.26 -4.94 105.19 100.79 2krr n GLY 170 Ca -0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 3.92 0.62 0.00 1.61 4.11 -2.02 -2.63 114.58 120.19 2krr h GLU 171 Ca 0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.31 2krr h GLU 171 Cb 0.00 -0.14 -0.18 0.00 0.50 0.00 0.00 28.75 28.93 2krr h GLU 171 CO 0.00 0.41 -0.72 0.41 0.07 0.00 0.00 179.01 179.17 2krr n GLY 172 N -1.41 3.08 0.37 1.06 0.00 -1.26 -4.83 105.19 102.20 2krr n GLY 172 Ca 0.21 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.36 1.56 0.00 0.99 4.77 -0.99 -5.25 117.00 117.72 2krr n LEU 173 Ca 0.12 0.26 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2krr n LEU 173 Cb 0.90 -0.61 0.40 0.00 -2.33 0.00 0.00 43.42 41.78 2krr n LEU 173 CO -0.04 0.00 0.61 1.21 -1.33 0.00 0.00 177.39 177.85