#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 -7.71 0.16 2.61 -1.04 -1.26 -4.94 114.28 102.11 2krr n THR 2 Ca 0.00 -0.98 -0.16 0.00 -2.04 0.00 0.00 64.05 60.86 2krr n THR 2 Cb 0.00 -5.83 -0.09 0.00 -1.82 0.00 0.00 70.33 62.58 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 -1.37 -0.77 -7.37 -2.82 4.39 -2.07 -3.43 114.58 101.14 2krr h GLU 3 Ca -0.58 0.05 -0.44 0.00 0.34 0.00 0.00 59.36 58.73 2krr h GLU 3 Cb 1.31 0.17 0.17 0.00 -0.10 0.00 0.00 28.75 30.31 2krr h GLU 3 CO 0.45 -0.51 0.17 -1.25 -1.16 0.00 0.00 179.01 176.71 2krr s PRO 4 N -5.65 -0.04 -0.12 2.33 0.04 -1.26 -5.02 135.00 125.28 2krr s PRO 4 Ca -0.16 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.26 2krr s PRO 4 Cb 0.05 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 2krr s PRO 4 CO 0.57 -3.01 -0.09 -2.37 0.04 0.00 0.00 177.00 172.14 2krr n THR 5 N -4.34 0.72 -4.29 1.26 5.66 -1.26 -5.04 114.28 106.99 2krr n THR 5 Ca 0.07 -0.30 -0.23 0.00 -3.05 0.00 0.00 64.05 60.54 2krr n THR 5 Cb 0.58 -0.92 -0.07 0.00 -1.55 0.00 0.00 70.33 68.36 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 -2.25 3.35 -0.72 1.09 -4.23 -1.26 -5.02 115.64 106.59 2krr s THR 6 Ca -0.16 -1.91 0.26 0.00 -1.18 0.00 0.00 61.69 58.70 2krr s THR 6 Cb 0.04 -2.84 0.28 0.00 1.34 0.00 0.00 72.50 71.33 2krr s THR 6 CO 0.31 -0.35 1.78 0.00 -0.54 0.00 0.00 174.62 175.81 2krr n ALA 7 N -0.91 2.23 -2.60 3.99 0.00 -1.26 -4.68 120.51 117.28 2krr n ALA 7 Ca -0.06 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2krr n ALA 7 Cb 0.59 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.12 2.75 0.04 0.00 0.08 -1.26 -4.99 117.98 111.49 2krr s PHE 8 Ca 0.10 0.30 -0.14 0.00 0.12 0.00 0.00 56.93 57.31 2krr s PHE 8 Cb 0.12 -4.25 0.02 0.00 -0.57 0.00 0.00 43.02 38.34 2krr s PHE 8 CO 0.58 -1.38 0.32 -0.80 -0.10 0.00 0.00 175.22 173.84 2krr s ASN 9 N 2.72 -0.15 0.06 1.36 -0.87 -1.26 -1.42 114.94 115.38 2krr s ASN 9 Ca 0.38 -0.16 0.02 0.00 -1.57 0.00 0.00 52.86 51.54 2krr s ASN 9 Cb -0.10 0.37 -0.03 0.00 -0.02 0.00 0.00 41.25 41.47 2krr s ASN 9 CO 0.24 -0.62 -0.08 -1.48 -2.57 0.00 0.00 177.10 172.60 2krr s LEU 10 N -2.04 2.32 -0.25 0.60 0.05 -0.57 -4.84 118.68 113.96 2krr s LEU 10 Ca -0.05 -0.67 -0.24 0.00 0.05 0.00 0.00 54.13 53.22 2krr s LEU 10 Cb -0.01 -0.14 -0.01 0.00 -2.05 0.00 0.00 46.19 43.98 2krr s LEU 10 CO -0.03 -0.27 0.81 0.12 -0.55 0.00 0.00 176.35 176.43 2krr s PHE 11 N -1.95 3.29 0.27 3.48 2.19 0.82 -1.52 117.98 124.57 2krr s PHE 11 Ca -0.04 1.07 0.09 0.00 0.33 0.00 0.00 56.93 58.38 2krr s PHE 11 Cb -0.06 -3.06 -0.04 0.00 -1.31 0.00 0.00 43.02 38.55 2krr s PHE 11 CO -0.01 -0.42 0.07 0.14 1.83 0.00 0.00 175.22 176.83 2krr s VAL 12 N 2.84 3.69 0.37 3.12 -7.23 0.85 0.11 120.40 124.15 2krr s VAL 12 Ca 0.34 -1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2krr s VAL 12 Cb -0.15 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.79 2krr s VAL 12 CO 0.08 -0.35 0.57 -0.83 -0.31 0.00 0.00 175.10 174.26 2krr s GLY 13 N -3.74 1.30 -1.19 2.32 0.00 0.12 -1.17 107.32 104.96 2krr s GLY 13 Ca 0.32 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.58 2krr s GLY 13 CO 0.22 -0.85 0.78 -2.01 0.00 0.00 0.00 173.10 171.23 2krr n ASN 14 N -1.55 -3.76 -1.33 1.64 5.15 0.13 -0.07 115.26 115.46 2krr n ASN 14 Ca -0.01 -0.87 0.12 0.00 -0.60 0.00 0.00 54.58 53.22 2krr n ASN 14 Cb 0.61 -4.05 0.31 0.00 -0.53 0.00 0.00 39.78 36.12 2krr n ASN 14 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2krr n LEU 15 N -4.02 3.91 -1.34 1.20 4.77 -0.53 -3.23 117.00 117.77 2krr n LEU 15 Ca -0.18 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 2krr n LEU 15 Cb 0.64 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2krr n LEU 15 CO 0.66 0.97 -0.35 -3.20 -1.33 0.00 0.00 177.39 174.13 2krr n ASN 16 N 1.63 -7.35 -3.74 -1.43 5.15 -1.25 -4.86 115.26 103.41 2krr n ASN 16 Ca 0.24 0.99 -0.34 0.00 -0.60 0.00 0.00 54.58 54.87 2krr n ASN 16 Cb 0.62 -3.49 -0.05 0.00 -0.53 0.00 0.00 39.78 36.33 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 -0.10 3.29 0.00 1.20 -1.74 -1.23 -4.45 117.46 114.42 2krr n PHE 17 Ca 0.00 -3.65 0.00 0.00 -0.56 0.00 0.00 57.45 53.24 2krr n PHE 17 Cb 0.00 -0.88 0.00 0.00 1.52 0.00 0.00 39.48 40.12 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 1.27 1.31 -4.14 5.98 3.02 -1.26 -5.05 115.26 116.39 2krr n ASN 18 Ca 0.27 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 2krr n ASN 18 Cb 0.38 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.92 -0.63 -1.03 3.52 4.01 -1.26 -5.08 118.16 115.77 2krr n LYS 19 Ca 0.00 -2.30 -0.29 0.00 -0.51 0.00 0.00 58.31 55.21 2krr n LYS 19 Cb 0.18 -0.95 0.22 0.00 -0.51 0.00 0.00 35.03 33.96 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 -5.25 1.55 0.01 4.39 0.01 -1.26 -4.93 113.70 108.21 2krr s SER 20 Ca 0.67 0.97 -0.25 0.00 1.31 0.00 0.00 55.95 58.65 2krr s SER 20 Cb -0.03 -1.47 -0.14 0.00 0.21 0.00 0.00 66.02 64.60 2krr s SER 20 CO 0.46 -3.77 1.05 0.00 0.41 0.00 0.00 173.24 171.39 2krr h ALA 21 N -2.34 -0.92 0.00 1.44 0.00 -1.98 -3.10 119.26 112.38 2krr h ALA 21 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2krr h ALA 21 Cb 1.32 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2krr h ALA 21 CO 0.47 -0.85 0.00 -0.35 0.00 0.00 0.00 179.25 178.52 2krr n PRO 22 N -5.34 0.17 0.15 0.00 -0.04 -1.26 -2.18 135.00 126.50 2krr n PRO 22 Ca -0.11 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2krr n PRO 22 Cb 0.36 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.11 0.54 4.57 -1.91 -3.31 114.58 114.58 2krr h GLU 23 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 2krr h GLU 23 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2krr h GLU 23 CO 0.00 0.00 -1.57 -0.07 -1.18 0.00 0.00 179.01 176.19 2krr h LEU 24 N 0.00 0.35 -1.14 1.64 3.38 -1.42 -3.34 115.31 114.78 2krr h LEU 24 Ca 0.00 -0.52 0.16 0.00 0.09 0.00 0.00 57.88 57.61 2krr h LEU 24 Cb 0.91 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 2krr h LEU 24 CO 0.00 1.44 0.61 0.11 0.09 0.00 0.00 178.44 180.69 2krr h LYS 25 N 0.06 0.74 0.75 1.13 1.57 -1.66 -1.42 116.57 117.75 2krr h LYS 25 Ca -0.26 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2krr h LYS 25 Cb 2.01 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.16 2krr h LYS 25 CO 0.15 0.49 -0.40 1.15 -0.57 0.00 0.00 179.45 180.27 2krr h THR 26 N 0.77 0.00 -0.72 -0.16 2.02 -1.71 -1.15 112.91 111.96 2krr h THR 26 Ca 0.51 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.81 2krr h THR 26 Cb 0.78 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 2krr h THR 26 CO -0.28 0.00 0.31 1.23 0.37 0.00 0.00 175.52 177.15 2krr h GLY 27 N -1.06 1.07 0.69 2.16 0.00 -1.61 0.33 103.07 104.64 2krr h GLY 27 Ca -0.10 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.09 2krr h GLY 27 CO 0.14 -0.03 -0.02 -2.22 0.00 0.00 0.00 176.54 174.41 2krr h ILE 28 N 0.49 0.85 0.00 2.60 2.04 -1.17 -0.34 117.51 121.99 2krr h ILE 28 Ca 0.38 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.22 2krr h ILE 28 Cb 0.50 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2krr h ILE 28 CO -0.34 0.01 -0.00 0.77 0.00 0.00 0.00 178.15 178.58 2krr h SER 29 N 0.04 0.00 0.31 1.72 4.64 -0.45 -3.17 113.55 116.64 2krr h SER 29 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2krr h SER 29 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2krr h SER 29 CO -0.16 0.00 -0.15 -0.78 -0.87 0.00 0.00 176.83 174.87 2krr h ASP 30 N 0.00 -0.35 -0.85 4.97 3.58 0.77 -2.64 116.42 121.89 2krr h ASP 30 Ca -0.00 -0.06 0.20 0.00 0.42 0.00 0.00 57.03 57.59 2krr h ASP 30 Cb 0.64 0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.67 2krr h ASP 30 CO 0.00 0.11 0.34 1.62 -2.88 0.00 0.00 179.24 178.44 2krr h VAL 31 N -1.07 0.51 -0.55 2.25 3.04 -1.16 0.23 116.25 119.50 2krr h VAL 31 Ca -0.04 -0.14 -0.05 0.00 -1.01 0.00 0.00 66.70 65.46 2krr h VAL 31 Cb 0.39 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.73 2krr h VAL 31 CO 0.07 0.07 0.12 -0.26 -1.01 0.00 0.00 177.57 176.56 2krr h PHE 32 N 0.40 0.89 0.00 3.17 0.04 -1.63 -2.03 116.94 117.77 2krr h PHE 32 Ca 0.51 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 2krr h PHE 32 Cb 0.92 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 2krr h PHE 32 CO -0.16 0.75 -0.01 0.00 -0.60 0.00 0.00 178.31 178.29 2krr h ALA 33 N 1.31 1.44 0.00 2.45 0.00 -0.16 0.20 119.26 124.50 2krr h ALA 33 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2krr h ALA 33 Cb 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2krr h ALA 33 CO 0.00 0.01 -0.49 1.57 0.00 0.00 0.00 179.25 180.34 2krr h LYS 34 N 0.00 0.00 -0.91 0.00 2.10 -1.04 -3.18 116.57 113.55 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 0.02 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.16 2krr h LYS 34 CO 0.00 0.49 0.39 0.09 -2.00 0.00 0.00 179.45 178.42 2krr n ASN 35 N -3.28 3.94 -2.52 7.07 3.02 -0.09 -4.86 115.26 118.54 2krr n ASN 35 Ca 0.02 -3.16 -0.21 0.00 -0.03 0.00 0.00 54.58 51.19 2krr n ASN 35 Cb 0.70 -0.74 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.48 -5.94 -4.58 6.41 9.92 -1.20 -4.98 116.55 115.70 2krr n ASP 36 Ca 0.42 -0.07 -0.34 0.00 -0.53 0.00 0.00 54.79 54.27 2krr n ASP 36 Cb 1.34 -4.92 -0.11 0.00 -0.64 0.00 0.00 41.12 36.79 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 -6.16 3.28 -0.14 0.64 1.43 -0.30 -5.01 118.68 112.42 2krr s LEU 37 Ca 0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2krr s LEU 37 Cb -0.03 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 2krr s LEU 37 CO 0.07 0.32 -0.17 0.00 0.23 0.00 0.00 176.35 176.80 2krr s ALA 38 N -0.53 2.43 0.05 4.21 0.00 -1.26 -3.20 121.76 123.46 2krr s ALA 38 Ca 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2krr s ALA 38 Cb -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2krr s ALA 38 CO 0.02 0.09 0.01 0.14 0.00 0.00 0.00 175.76 176.02 2krr s VAL 39 N 0.62 4.13 -0.13 0.00 -7.23 -1.26 -3.30 120.40 113.23 2krr s VAL 39 Ca -0.09 -0.79 0.19 0.00 -1.81 0.00 0.00 61.98 59.48 2krr s VAL 39 Cb -0.16 -2.91 -0.25 0.00 0.56 0.00 0.00 36.38 33.61 2krr s VAL 39 CO 0.03 0.24 0.38 1.33 -0.31 0.00 0.00 175.10 176.77 2krr n VAL 40 N 0.94 0.86 -3.62 1.32 0.24 -0.21 -4.85 118.33 113.01 2krr n VAL 40 Ca -0.12 -0.70 -0.07 0.00 -2.04 0.00 0.00 64.34 61.41 2krr n VAL 40 Cb 0.52 -0.36 -0.06 0.00 -1.47 0.00 0.00 33.84 32.47 2krr n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2krr s ASP 41 N -5.22 -0.29 -0.03 -1.34 2.15 -1.23 -4.98 116.67 105.72 2krr s ASP 41 Ca -0.08 0.46 0.05 0.00 0.43 0.00 0.00 52.55 53.41 2krr s ASP 41 Cb 0.09 0.43 -0.01 0.00 -0.30 0.00 0.00 42.92 43.13 2krr s ASP 41 CO 0.85 -0.17 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.81 2krr s VAL 42 N -0.40 1.51 0.02 1.11 1.01 -1.26 -0.14 120.40 122.25 2krr s VAL 42 Ca 0.03 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2krr s VAL 42 Cb -0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2krr s VAL 42 CO -0.06 0.43 -0.24 -0.60 0.00 0.00 0.00 175.10 174.63 2krr s ARG 43 N -0.14 1.98 -0.04 2.72 6.06 0.39 -4.93 118.95 124.99 2krr s ARG 43 Ca -0.00 -1.01 0.04 0.00 -2.50 0.00 0.00 55.73 52.26 2krr s ARG 43 Cb -0.10 -2.05 -0.00 0.00 0.06 0.00 0.00 34.95 32.85 2krr s ARG 43 CO 0.01 0.54 -0.16 0.42 -2.50 0.00 0.00 175.30 173.61 2krr s ILE 44 N -0.76 1.36 0.48 4.11 1.09 -1.26 0.06 121.20 126.28 2krr s ILE 44 Ca 0.12 -0.68 -0.08 0.00 -1.10 0.00 0.00 60.65 58.90 2krr s ILE 44 Cb -0.10 -1.17 0.12 0.00 -1.06 0.00 0.00 42.46 40.25 2krr s ILE 44 CO 0.01 0.40 0.30 0.61 -0.10 0.00 0.00 174.94 176.16 2krr n GLY 45 N 3.14 -3.66 0.06 6.18 0.00 0.99 -4.88 105.19 107.02 2krr n GLY 45 Ca -0.18 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 2krr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krr h MET 46 N 0.00 0.02 0.00 1.61 -0.00 -2.01 -3.18 114.93 111.37 2krr h MET 46 Ca -0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 2krr h MET 46 Cb 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 2krr h MET 46 CO 0.08 1.00 0.00 -2.37 -0.00 0.00 0.00 176.91 175.62 2krr n THR 47 N -3.35 0.09 -1.57 -0.10 5.66 -1.26 -4.88 114.28 108.87 2krr n THR 47 Ca -0.01 0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.82 2krr n THR 47 Cb 0.95 -0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.43 -1.44 -0.00 1.09 3.00 -1.20 -4.62 116.66 112.05 2krr n ARG 48 Ca 0.09 1.16 0.07 0.00 -0.01 0.00 0.00 57.85 59.16 2krr n ARG 48 Cb 0.29 -5.53 -0.09 0.00 0.00 0.00 0.00 32.46 27.13 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 -2.28 1.75 -3.90 5.56 4.81 -1.26 -3.55 118.16 119.29 2krr n LYS 49 Ca -0.20 -0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.12 2krr n LYS 49 Cb 0.65 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.46 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2krr s PHE 50 N -2.53 0.42 -2.13 5.64 -0.71 -1.26 0.19 117.98 117.60 2krr s PHE 50 Ca 0.04 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 2krr s PHE 50 Cb 0.11 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.47 2krr s PHE 50 CO 0.63 -1.44 0.00 0.41 -1.34 0.00 0.00 175.22 173.48 2krr n GLY 51 N -0.54 -0.63 3.12 1.99 0.00 -0.31 -0.01 105.19 108.81 2krr n GLY 51 Ca -0.05 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.65 0.71 -0.06 1.61 1.51 0.11 -0.11 117.35 117.48 2krr s TYR 52 Ca 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 2krr s TYR 52 Cb 0.00 -0.45 0.02 0.00 -0.11 0.00 0.00 41.96 41.43 2krr s TYR 52 CO 0.00 -0.22 -0.05 0.08 -1.11 0.00 0.00 175.55 174.26 2krr s VAL 53 N -3.37 0.61 -0.09 0.71 1.01 -0.57 -0.46 120.40 118.24 2krr s VAL 53 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 2krr s VAL 53 Cb 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2krr s VAL 53 CO -0.06 0.26 0.14 -1.81 0.00 0.00 0.00 175.10 173.64 2krr s ASP 54 N 1.20 6.31 0.27 3.32 1.01 0.80 -1.51 116.67 128.08 2krr s ASP 54 Ca -0.06 0.42 0.12 0.00 0.71 0.00 0.00 52.55 53.73 2krr s ASP 54 Cb -0.14 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 2krr s ASP 54 CO -0.02 0.37 -0.20 -0.36 0.21 0.00 0.00 175.17 175.17 2krr s PHE 55 N -1.10 2.30 0.26 4.23 0.40 -0.51 -1.05 117.98 122.52 2krr s PHE 55 Ca 0.18 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2krr s PHE 55 Cb -0.12 -1.01 0.34 0.00 0.51 0.00 0.00 43.02 42.74 2krr s PHE 55 CO 0.08 0.69 1.68 0.93 0.70 0.00 0.00 175.22 179.30 2krr h GLU 56 N 2.37 0.51 -3.96 0.44 5.08 -1.88 -3.42 114.58 113.73 2krr h GLU 56 Ca -0.41 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 57.61 2krr h GLU 56 Cb 1.25 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 2krr h GLU 56 CO 0.59 0.76 -0.58 -1.12 -1.00 0.00 0.00 179.01 177.65 2krr s SER 57 N -6.82 0.28 0.59 1.42 0.01 -1.26 -5.00 113.70 102.92 2krr s SER 57 Ca -0.07 -0.68 0.29 0.00 1.31 0.00 0.00 55.95 56.80 2krr s SER 57 Cb 0.13 0.21 1.62 0.00 0.21 0.00 0.00 66.02 68.19 2krr s SER 57 CO 0.80 -0.52 2.04 0.00 0.41 0.00 0.00 173.24 175.97 2krr h ALA 58 N 3.58 1.86 0.83 1.44 0.00 -1.96 -2.30 119.26 122.71 2krr h ALA 58 Ca -0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2krr h ALA 58 Cb 1.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2krr h ALA 58 CO 0.54 -0.41 -0.40 0.93 0.00 0.00 0.00 179.25 179.92 2krr h GLU 59 N 0.00 -1.08 0.00 0.00 5.08 -1.98 0.17 114.58 116.77 2krr h GLU 59 Ca 0.11 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2krr h GLU 59 Cb 0.68 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2krr h GLU 59 CO -0.00 -0.71 -0.04 -0.44 -1.00 0.00 0.00 179.01 176.81 2krr h ASP 60 N -1.13 0.00 0.09 1.42 3.32 -1.79 0.16 116.42 118.49 2krr h ASP 60 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2krr h ASP 60 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2krr h ASP 60 CO 0.19 0.04 -0.04 0.25 -1.72 0.00 0.00 179.24 177.96 2krr h LEU 61 N 0.00 -0.10 -1.05 1.55 6.46 -1.07 -3.16 115.31 117.94 2krr h LEU 61 Ca -0.00 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 2krr h LEU 61 Cb 0.24 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2krr h LEU 61 CO 0.01 0.55 -0.14 1.05 -0.62 0.00 0.00 178.44 179.28 2krr h GLU 62 N -0.92 0.00 -0.18 1.25 4.11 -0.52 -3.17 114.58 115.14 2krr h GLU 62 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2krr h GLU 62 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2krr h GLU 62 CO 0.02 0.14 0.07 0.87 0.07 0.00 0.00 179.01 180.18 2krr h LYS 63 N 0.00 0.28 -0.32 1.06 1.79 -0.76 -2.35 116.57 116.28 2krr h LYS 63 Ca -0.00 -0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.51 2krr h LYS 63 Cb 0.73 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2krr h LYS 63 CO 0.02 0.37 0.33 0.00 -1.08 0.00 0.00 179.45 179.09 2krr h ALA 64 N 0.90 2.01 0.00 3.86 0.00 -1.52 0.31 119.26 124.82 2krr h ALA 64 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2krr h ALA 64 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2krr h ALA 64 CO -0.00 -0.50 -0.72 -0.07 0.00 0.00 0.00 179.25 177.96 2krr h LEU 65 N 0.00 0.00 0.00 0.00 3.38 -1.55 -3.35 115.31 113.80 2krr h LEU 65 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2krr h LEU 65 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2krr h LEU 65 CO -0.00 0.72 -0.15 -0.33 0.09 0.00 0.00 178.44 178.77 2krr h GLU 66 N 0.00 0.00 -7.11 1.13 4.39 -0.22 -3.47 114.58 109.30 2krr h GLU 66 Ca -0.01 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 2krr h GLU 66 Cb 1.52 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 30.38 2krr h GLU 66 CO 0.09 0.78 -0.06 -0.48 -1.16 0.00 0.00 179.01 178.19 2krr s LEU 67 N -8.24 -0.51 0.26 1.33 0.05 -0.31 -5.08 118.68 106.18 2krr s LEU 67 Ca -0.16 0.93 -0.09 0.00 0.05 0.00 0.00 54.13 54.86 2krr s LEU 67 Cb -0.01 -2.49 -0.01 0.00 -2.05 0.00 0.00 46.19 41.63 2krr s LEU 67 CO 0.54 -4.98 0.44 0.28 -0.55 0.00 0.00 176.35 172.07 2krr s THR 68 N -2.42 0.00 0.00 5.48 -1.32 -1.26 -4.94 115.64 111.18 2krr s THR 68 Ca 0.69 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2krr s THR 68 Cb -0.15 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 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 -0.41 0.97 3.57 6.08 0.00 -1.26 -5.06 105.19 109.09 2krr n GLY 69 Ca -0.01 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.65 3.96 0.05 0.99 1.43 -1.26 -5.07 118.68 118.14 2krr s LEU 70 Ca 0.00 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2krr s LEU 70 Cb 0.00 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2krr s LEU 70 CO 0.00 -0.05 0.34 -1.59 0.23 0.00 0.00 176.35 175.28 2krr s LYS 71 N 1.74 0.87 -0.09 1.70 0.00 -1.26 -2.29 119.74 120.41 2krr s LYS 71 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 55.97 55.46 2krr s LYS 71 Cb -0.16 0.38 0.02 0.00 0.00 0.00 0.00 37.83 38.07 2krr s LYS 71 CO 0.10 -0.29 0.25 0.14 0.00 0.00 0.00 175.35 175.55 2krr s VAL 72 N -2.66 0.01 -2.03 1.79 -7.23 0.91 -4.77 120.40 106.42 2krr s VAL 72 Ca -0.04 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 2krr s VAL 72 Cb -0.00 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.57 2krr s VAL 72 CO -0.04 -0.03 0.00 0.49 -0.31 0.00 0.00 175.10 175.22 2krr n PHE 73 N 2.82 -0.22 0.00 2.82 3.72 -1.26 -2.02 117.46 123.32 2krr n PHE 73 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2krr n PHE 73 Cb 0.58 -3.42 0.00 0.00 -0.94 0.00 0.00 39.48 35.70 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 -0.46 3.01 3.79 1.37 0.00 -1.26 -5.04 105.19 106.60 2krr n GLY 74 Ca -0.20 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 6.13 -0.29 1.61 -0.87 -0.86 -5.01 114.94 115.66 2krr s ASN 75 Ca 0.00 2.03 -0.17 0.00 -1.57 0.00 0.00 52.86 53.15 2krr s ASN 75 Cb 0.00 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 2krr s ASN 75 CO 0.00 -0.93 0.46 -0.70 -2.57 0.00 0.00 177.10 173.36 2krr s GLU 76 N -3.21 3.94 0.70 -0.60 2.12 -1.26 -0.06 118.70 120.32 2krr s GLU 76 Ca 0.69 0.09 -0.11 0.00 0.36 0.00 0.00 54.97 56.00 2krr s GLU 76 Cb -0.20 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.52 2krr s GLU 76 CO 0.23 -0.39 1.07 0.96 -0.54 0.00 0.00 175.26 176.59 2krr s ILE 77 N 2.23 3.79 -0.12 -3.70 -5.25 -0.97 -4.74 121.20 112.44 2krr s ILE 77 Ca 0.18 0.62 0.03 0.00 -0.99 0.00 0.00 60.65 60.49 2krr s ILE 77 Cb -0.16 -3.26 0.01 0.00 2.95 0.00 0.00 42.46 42.00 2krr s ILE 77 CO 0.10 -0.72 -0.22 -0.54 -1.79 0.00 0.00 174.94 171.77 2krr s LYS 78 N -4.86 2.92 -0.13 0.37 -0.14 0.90 -4.81 119.74 113.99 2krr s LYS 78 Ca 0.60 -0.83 -0.12 0.00 -1.36 0.00 0.00 55.97 54.27 2krr s LYS 78 Cb -0.15 -2.29 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 2krr s LYS 78 CO 0.53 0.07 0.24 -0.51 -0.76 0.00 0.00 175.35 174.92 2krr s LEU 79 N 0.61 4.32 0.35 3.17 1.02 -1.26 0.13 118.68 127.01 2krr s LEU 79 Ca -0.13 0.53 -0.06 0.00 0.02 0.00 0.00 54.13 54.50 2krr s LEU 79 Cb -0.17 -2.28 0.01 0.00 0.02 0.00 0.00 46.19 43.78 2krr s LEU 79 CO 0.03 0.23 0.54 -1.61 0.02 0.00 0.00 176.35 175.57 2krr s GLU 80 N -0.21 1.97 -0.03 1.70 8.01 0.29 -4.99 118.70 125.45 2krr s GLU 80 Ca 0.16 -1.67 0.04 0.00 0.01 0.00 0.00 54.97 53.51 2krr s GLU 80 Cb -0.13 0.48 -0.03 0.00 -4.31 0.00 0.00 34.13 30.15 2krr s GLU 80 CO 0.05 -0.84 -0.13 0.15 0.01 0.00 0.00 175.26 174.49 2krr s LYS 81 N -2.93 2.45 0.81 1.61 -0.14 -1.26 -0.12 119.74 120.16 2krr s LYS 81 Ca 0.27 -0.74 -0.14 0.00 -1.36 0.00 0.00 55.97 54.00 2krr s LYS 81 Cb -0.01 -2.38 0.20 0.00 -1.68 0.00 0.00 37.83 33.96 2krr s LYS 81 CO 0.18 0.61 0.72 -0.35 -0.76 0.00 0.00 175.35 175.75 2krr n PRO 82 N 2.06 -2.42 -4.20 -1.68 -0.04 -1.26 -4.77 135.00 122.67 2krr n PRO 82 Ca -0.17 -1.15 -0.14 0.00 -0.04 0.00 0.00 63.50 62.00 2krr n PRO 82 Cb 0.52 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 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 -4.64 0.93 0.08 0.54 0.00 -1.26 -5.05 119.74 110.34 2krr s LYS 83 Ca 0.47 -1.30 0.01 0.00 0.00 0.00 0.00 55.97 55.14 2krr s LYS 83 Cb -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 37.83 37.27 2krr s LYS 83 CO 0.36 0.06 0.04 0.41 0.00 0.00 0.00 175.35 176.23 2krr n GLY 84 N 0.17 3.28 2.60 0.59 0.00 -1.26 -5.08 105.19 105.50 2krr n GLY 84 Ca -0.13 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.56 2.41 -2.76 1.61 4.76 -1.26 -5.09 118.16 117.26 2krr n LYS 85 Ca -0.01 -4.16 -0.30 0.00 -2.87 0.00 0.00 58.31 50.97 2krr n LYS 85 Cb 0.09 -1.95 -0.03 0.00 -1.84 0.00 0.00 35.03 31.30 2krr n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2krr s ASP 86 N -3.19 6.49 0.28 4.39 1.01 -1.26 -4.99 116.67 119.41 2krr s ASP 86 Ca 0.43 1.16 0.11 0.00 0.71 0.00 0.00 52.55 54.96 2krr s ASP 86 Cb 0.36 -2.34 0.37 0.00 1.01 0.00 0.00 42.92 42.31 2krr s ASP 86 CO -0.11 -0.45 1.61 0.28 0.21 0.00 0.00 175.17 176.71 2krr h SER 87 N 1.07 0.00 0.53 0.27 0.02 -2.04 -2.89 113.55 110.51 2krr h SER 87 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.46 2krr h SER 87 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2krr h SER 87 CO 0.63 0.61 -0.07 0.07 -1.14 0.00 0.00 176.83 176.93 2krr h LYS 88 N 0.00 0.00 -0.59 3.45 2.10 -2.02 -2.65 116.57 116.85 2krr h LYS 88 Ca -0.01 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.82 2krr h LYS 88 Cb 1.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 2krr h LYS 88 CO 0.08 0.07 0.49 0.87 -2.00 0.00 0.00 179.45 178.96 2krr h LYS 89 N 0.00 0.00 0.49 0.07 1.79 -1.91 -0.47 116.57 116.55 2krr h LYS 89 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2krr h LYS 89 Cb 0.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2krr h LYS 89 CO 0.01 0.00 -0.44 0.93 -1.08 0.00 0.00 179.45 178.87 2krr h GLU 90 N 0.00 -0.89 -0.13 3.15 5.08 -1.68 0.24 114.58 120.35 2krr h GLU 90 Ca 0.28 0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.51 2krr h GLU 90 Cb 1.25 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 2krr h GLU 90 CO -0.00 -0.59 -0.69 -0.09 -1.00 0.00 0.00 179.01 176.63 2krr h ARG 91 N -0.92 0.57 0.00 2.33 9.65 -1.60 -2.93 114.38 121.47 2krr h ARG 91 Ca -0.05 -0.43 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2krr h ARG 91 Cb 0.80 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2krr h ARG 91 CO -0.03 1.06 0.00 -0.44 2.80 0.00 0.00 179.97 183.35 2krr h ASP 92 N 0.40 0.00 0.56 -3.80 5.19 -0.97 -1.53 116.42 116.27 2krr h ASP 92 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2krr h ASP 92 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2krr h ASP 92 CO 0.13 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 2krr n ALA 93 N -1.97 1.92 0.08 3.45 0.00 0.85 -2.27 120.51 122.56 2krr n ALA 93 Ca -0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 2krr n ALA 93 Cb 0.18 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.66 -6.47 0.00 2.47 -1.43 -3.41 114.38 104.87 2krr h ARG 94 Ca 0.00 0.05 -0.53 0.00 -1.26 0.00 0.00 59.98 58.23 2krr h ARG 94 Cb 0.28 0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2krr h ARG 94 CO 0.00 -0.44 0.11 0.99 0.56 0.00 0.00 179.97 181.18 2krr s THR 95 N -5.62 4.52 0.23 2.04 2.01 -1.25 -3.87 115.64 113.72 2krr s THR 95 Ca -0.15 1.44 0.07 0.00 0.31 0.00 0.00 61.69 63.36 2krr s THR 95 Cb 0.06 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2krr s THR 95 CO 0.58 0.42 0.14 -0.76 -0.69 0.00 0.00 174.62 174.31 2krr s LEU 96 N -1.44 3.69 0.05 4.42 2.01 0.10 -2.60 118.68 124.92 2krr s LEU 96 Ca 0.37 -0.30 0.08 0.00 0.01 0.00 0.00 54.13 54.30 2krr s LEU 96 Cb -0.20 -2.24 -0.03 0.00 0.01 0.00 0.00 46.19 43.73 2krr s LEU 96 CO 0.23 -0.00 -0.24 -0.22 1.01 0.00 0.00 176.35 177.13 2krr s LEU 97 N -3.62 2.18 -0.09 1.79 2.96 0.91 -1.13 118.68 121.67 2krr s LEU 97 Ca 0.32 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2krr s LEU 97 Cb -0.08 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 2krr s LEU 97 CO 0.23 0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 175.37 2krr s ALA 98 N -0.83 2.81 0.35 5.97 0.00 0.10 0.01 121.76 130.16 2krr s ALA 98 Ca 0.10 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2krr s ALA 98 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2krr s ALA 98 CO 0.02 0.43 0.11 0.15 0.00 0.00 0.00 175.76 176.48 2krr s LYS 99 N -0.31 1.72 -1.47 0.00 1.02 -0.66 -2.22 119.74 117.82 2krr s LYS 99 Ca 0.04 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.03 2krr s LYS 99 Cb -0.13 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 2krr s LYS 99 CO 0.02 -0.37 0.00 -1.71 -0.92 0.00 0.00 175.35 172.37 2krr n ASN 100 N -0.96 -4.89 -4.82 2.83 5.15 -1.26 -2.34 115.26 108.98 2krr n ASN 100 Ca -0.03 0.07 -0.38 0.00 -0.60 0.00 0.00 54.58 53.64 2krr n ASN 100 Cb 0.66 -3.96 -0.06 0.00 -0.53 0.00 0.00 39.78 35.88 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 -4.52 4.49 0.82 1.20 1.43 -1.26 -4.54 118.68 116.31 2krr s LEU 101 Ca 0.00 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 2krr s LEU 101 Cb 0.00 -2.96 0.08 0.00 0.03 0.00 0.00 46.19 43.34 2krr s LEU 101 CO 0.00 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 2krr s PRO 102 N -1.27 1.87 0.00 1.29 0.04 -1.26 -4.29 135.00 131.38 2krr s PRO 102 Ca 0.31 1.04 0.17 0.00 0.04 0.00 0.00 61.00 62.55 2krr s PRO 102 Cb -0.19 -1.86 0.76 0.00 0.04 0.00 0.00 34.50 33.25 2krr s PRO 102 CO 0.19 -1.88 1.52 0.66 0.04 0.00 0.00 177.00 177.54 2krr n TYR 103 N -3.66 0.00 -0.95 0.56 4.01 -1.26 -2.10 117.16 113.75 2krr n TYR 103 Ca 0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.91 2krr n TYR 103 Cb 0.54 -0.43 0.20 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.43 2.27 -1.76 -0.72 2.85 -1.26 -2.03 118.16 116.07 2krr n LYS 104 Ca 0.05 -2.65 -0.31 0.00 -1.05 0.00 0.00 58.31 54.35 2krr n LYS 104 Cb 0.18 -1.65 0.03 0.00 -0.65 0.00 0.00 35.03 32.94 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 -2.70 4.05 0.24 0.58 0.11 -0.89 -5.00 120.40 116.79 2krr s VAL 105 Ca 0.36 0.76 0.01 0.00 -2.93 0.00 0.00 61.98 60.18 2krr s VAL 105 Cb 0.29 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2krr s VAL 105 CO 0.06 -0.78 0.15 -0.89 -3.33 0.00 0.00 175.10 170.31 2krr s THR 106 N -2.88 0.15 0.06 5.04 2.01 -1.26 -4.66 115.64 114.10 2krr s THR 106 Ca 0.59 -2.00 -0.37 0.00 0.31 0.00 0.00 61.69 60.23 2krr s THR 106 Cb -0.14 -2.53 -0.20 0.00 0.01 0.00 0.00 72.50 69.65 2krr s THR 106 CO 0.49 0.00 1.55 1.56 -0.69 0.00 0.00 174.62 177.53 2krr h GLN 107 N 2.46 -1.21 -0.97 4.92 4.20 -1.99 -2.72 115.11 119.81 2krr h GLN 107 Ca -0.35 0.08 0.16 0.00 0.06 0.00 0.00 58.65 58.60 2krr h GLN 107 Cb 1.25 0.27 -0.09 0.00 0.30 0.00 0.00 27.48 29.22 2krr h GLN 107 CO 0.52 -0.80 0.61 0.22 -0.67 0.00 0.00 178.83 178.71 2krr h ASP 108 N -1.25 0.76 -0.63 1.46 1.82 -1.98 0.21 116.42 116.81 2krr h ASP 108 Ca -0.12 0.06 0.12 0.00 -0.39 0.00 0.00 57.03 56.71 2krr h ASP 108 Cb 0.98 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 40.82 2krr h ASP 108 CO 0.15 0.35 0.13 -0.33 -1.61 0.00 0.00 179.24 177.93 2krr h GLU 109 N 0.79 0.24 0.00 0.28 5.08 -1.90 -0.69 114.58 118.38 2krr h GLU 109 Ca 0.51 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.72 2krr h GLU 109 Cb 0.75 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2krr h GLU 109 CO -0.28 0.16 -0.91 -0.07 -1.00 0.00 0.00 179.01 176.91 2krr h LEU 110 N 0.25 0.00 -0.36 1.33 3.38 -0.98 -3.25 115.31 115.68 2krr h LEU 110 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2krr h LEU 110 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2krr h LEU 110 CO -0.44 0.56 0.00 2.29 0.09 0.00 0.00 178.44 180.95 2krr n LYS 111 N -3.09 0.08 0.15 1.13 2.85 0.62 -2.32 118.16 117.58 2krr n LYS 111 Ca -0.03 0.36 0.11 0.00 -1.05 0.00 0.00 58.31 57.71 2krr n LYS 111 Cb 0.79 -1.67 0.54 0.00 -0.65 0.00 0.00 35.03 34.04 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 -1.83 0.17 -0.08 -1.58 1.02 -0.50 0.15 120.64 117.99 2krr n GLU 112 Ca 0.02 0.53 -0.16 0.00 -0.02 0.00 0.00 57.16 57.53 2krr n GLU 112 Cb 0.17 -1.92 -0.06 0.00 -0.02 0.00 0.00 31.44 29.62 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 -2.25 0.84 -1.37 2.62 0.24 -0.98 -4.66 118.33 112.78 2krr n VAL 113 Ca 0.00 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 2krr n VAL 113 Cb 0.13 -1.68 0.12 0.00 -1.47 0.00 0.00 33.84 30.94 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 -3.65 2.96 0.19 6.34 1.16 -1.21 -4.63 117.46 118.62 2krr n PHE 114 Ca -0.30 -2.47 0.17 0.00 -1.87 0.00 0.00 57.45 52.98 2krr n PHE 114 Cb 0.72 -1.12 0.81 0.00 -1.61 0.00 0.00 39.48 38.28 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 1.61 0.00 0.00 3.97 -0.00 -0.56 0.37 114.58 119.97 2krr h GLU 115 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.93 2krr h GLU 115 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.35 2krr h GLU 115 CO 1.27 0.00 0.00 0.22 -0.00 0.00 0.00 179.01 180.50 2krr h ASP 116 N 0.00 0.00 -2.28 3.06 3.58 -1.83 -3.46 116.42 115.48 2krr h ASP 116 Ca 0.10 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.07 2krr h ASP 116 Cb 0.52 0.00 0.24 0.00 1.72 0.00 0.00 39.33 41.81 2krr h ASP 116 CO -0.00 0.00 -1.28 0.00 -2.88 0.00 0.00 179.24 175.08 2krr n ALA 117 N -1.91 -4.22 0.22 -0.78 0.00 0.13 -4.94 120.51 109.00 2krr n ALA 117 Ca 0.05 -1.17 -0.09 0.00 0.00 0.00 0.00 53.44 52.22 2krr n ALA 117 Cb 0.45 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.79 -0.78 -2.41 0.00 0.00 -1.85 -3.48 119.26 108.95 2krr h ALA 118 Ca -0.50 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 118 Cb 1.35 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.23 2krr h ALA 118 CO 0.35 -0.74 -0.50 -1.83 0.00 0.00 0.00 179.25 176.52 2krr s GLU 119 N -3.70 0.73 -0.01 0.00 -1.05 -0.71 -5.01 118.70 108.95 2krr s GLU 119 Ca -0.09 -1.05 0.08 0.00 -0.15 0.00 0.00 54.97 53.76 2krr s GLU 119 Cb 0.01 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 2krr s GLU 119 CO 0.26 -0.20 -0.24 0.42 0.95 0.00 0.00 175.26 176.46 2krr s ILE 120 N -3.80 1.91 -0.21 1.83 1.09 -1.26 -2.50 121.20 118.26 2krr s ILE 120 Ca 0.05 -1.05 -0.04 0.00 -1.10 0.00 0.00 60.65 58.51 2krr s ILE 120 Cb 0.06 -1.59 0.08 0.00 -1.06 0.00 0.00 42.46 39.96 2krr s ILE 120 CO -0.10 0.52 0.15 -0.13 -0.10 0.00 0.00 174.94 175.28 2krr s ARG 121 N -0.61 0.15 0.38 2.79 1.81 0.48 -4.99 118.95 118.94 2krr s ARG 121 Ca 0.09 -0.10 -0.05 0.00 -1.72 0.00 0.00 55.73 53.95 2krr s ARG 121 Cb -0.09 -1.42 -0.05 0.00 -0.45 0.00 0.00 34.95 32.94 2krr s ARG 121 CO -0.01 -0.77 0.66 -0.51 -0.68 0.00 0.00 175.30 173.99 2krr s LEU 122 N 2.20 3.89 -0.34 2.53 2.01 -1.26 0.15 118.68 127.86 2krr s LEU 122 Ca 0.05 0.79 0.02 0.00 0.01 0.00 0.00 54.13 55.01 2krr s LEU 122 Cb -0.16 -3.67 0.09 0.00 0.01 0.00 0.00 46.19 42.47 2krr s LEU 122 CO -0.18 -0.36 0.05 -0.69 1.01 0.00 0.00 176.35 176.18 2krr s VAL 123 N -2.37 2.51 0.06 -1.59 1.01 -1.16 -4.87 120.40 113.99 2krr s VAL 123 Ca 0.45 -2.12 0.02 0.00 0.00 0.00 0.00 61.98 60.34 2krr s VAL 123 Cb -0.10 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2krr s VAL 123 CO 0.36 -0.49 -0.07 -0.94 0.00 0.00 0.00 175.10 173.95 2krr s SER 124 N 1.13 0.95 -0.03 3.32 1.04 -1.26 -2.05 113.70 116.81 2krr s SER 124 Ca 0.06 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.77 2krr s SER 124 Cb -0.20 0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2krr s SER 124 CO -0.06 -0.32 -0.08 -0.75 0.98 0.00 0.00 173.24 173.01 2krr s LYS 125 N -2.55 0.86 -1.70 4.02 2.20 0.76 -4.75 119.74 118.57 2krr s LYS 125 Ca -0.01 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2krr s LYS 125 Cb -0.03 -0.82 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 2krr s LYS 125 CO -0.02 0.08 0.00 -3.47 -0.36 0.00 0.00 175.35 171.58 2krr n ASP 126 N 3.37 -5.05 0.00 1.43 2.03 -1.26 -1.60 116.55 115.47 2krr n ASP 126 Ca -0.19 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2krr n ASP 126 Cb 0.54 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 36.98 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 -0.84 0.63 2.89 0.27 0.00 -1.26 -5.06 105.19 101.82 2krr n GLY 127 Ca -0.16 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.02 0.45 0.71 1.61 -0.14 -0.63 -5.07 119.74 114.64 2krr s LYS 128 Ca 0.00 -0.07 -0.15 0.00 -1.36 0.00 0.00 55.97 54.38 2krr s LYS 128 Cb 0.00 -0.50 0.03 0.00 -1.68 0.00 0.00 37.83 35.68 2krr s LYS 128 CO 0.00 -0.02 1.20 -1.12 -0.76 0.00 0.00 175.35 174.66 2krr s SER 129 N 0.48 4.38 -0.00 2.83 0.01 -0.86 -0.17 113.70 120.37 2krr s SER 129 Ca -0.05 2.34 0.16 0.00 1.31 0.00 0.00 55.95 59.70 2krr s SER 129 Cb -0.09 -2.59 -0.18 0.00 0.21 0.00 0.00 66.02 63.38 2krr s SER 129 CO -0.01 -2.14 0.64 0.29 0.41 0.00 0.00 173.24 172.43 2krr n LYS 130 N -2.56 1.72 0.00 12.44 4.76 -0.87 -4.69 118.16 128.95 2krr n LYS 130 Ca 0.13 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2krr n LYS 130 Cb 0.50 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 1.39 1.58 3.25 0.72 0.00 -1.26 -5.03 105.19 105.84 2krr n GLY 131 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.08 -0.21 -0.61 -4.36 -1.26 -4.10 121.20 108.74 2krr s ILE 132 Ca 0.00 -0.66 -0.05 0.00 -0.26 0.00 0.00 60.65 59.68 2krr s ILE 132 Cb 0.00 -0.91 0.10 0.00 1.25 0.00 0.00 42.46 42.90 2krr s ILE 132 CO 0.00 -0.36 0.40 0.00 0.24 0.00 0.00 174.94 175.22 2krr s ALA 133 N -2.44 -1.13 -0.15 2.27 0.00 -0.94 -2.99 121.76 116.38 2krr s ALA 133 Ca -0.06 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 2krr s ALA 133 Cb -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2krr s ALA 133 CO -0.03 -0.91 0.46 0.71 0.00 0.00 0.00 175.76 175.99 2krr s TYR 134 N 2.59 3.46 -0.11 0.00 2.02 0.12 0.00 117.35 125.43 2krr s TYR 134 Ca 0.03 0.80 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 2krr s TYR 134 Cb -0.13 -2.56 0.02 0.00 -0.40 0.00 0.00 41.96 38.89 2krr s TYR 134 CO -0.14 0.09 -0.13 0.96 -1.57 0.00 0.00 175.55 174.76 2krr s ILE 135 N 0.94 1.34 -0.47 2.71 -0.00 -0.28 -0.39 121.20 125.05 2krr s ILE 135 Ca 0.24 -0.54 -0.15 0.00 -0.00 0.00 0.00 60.65 60.20 2krr s ILE 135 Cb -0.15 -1.26 0.07 0.00 -0.00 0.00 0.00 42.46 41.13 2krr s ILE 135 CO 0.09 0.41 0.38 -0.70 -0.00 0.00 0.00 174.94 175.13 2krr s GLU 136 N 1.14 2.96 0.83 0.37 2.56 -1.04 0.03 118.70 125.54 2krr s GLU 136 Ca -0.04 -1.34 -0.12 0.00 0.00 0.00 0.00 54.97 53.47 2krr s GLU 136 Cb -0.14 -4.10 0.10 0.00 2.00 0.00 0.00 34.13 31.99 2krr s GLU 136 CO -0.03 -1.01 1.19 -0.06 -0.56 0.00 0.00 175.26 174.79 2krr s PHE 137 N 1.63 2.62 0.05 5.30 0.40 -1.25 -1.74 117.98 124.99 2krr s PHE 137 Ca 0.04 0.59 -0.22 0.00 -0.60 0.00 0.00 56.93 56.75 2krr s PHE 137 Cb -0.24 -3.59 -0.14 0.00 0.51 0.00 0.00 43.02 39.57 2krr s PHE 137 CO 0.07 -1.92 1.45 0.87 0.70 0.00 0.00 175.22 176.39 2krr h LYS 138 N -1.12 0.22 -3.71 0.44 6.56 -1.92 -3.44 116.57 113.60 2krr h LYS 138 Ca -0.45 -0.08 -0.11 0.00 -1.06 0.00 0.00 60.65 58.95 2krr h LYS 138 Cb 1.31 -0.02 -0.16 0.00 -0.57 0.00 0.00 32.23 32.79 2krr h LYS 138 CO 0.59 0.49 -0.42 -0.08 -2.06 0.00 0.00 179.45 177.96 2krr s THR 139 N -4.86 0.13 0.61 -0.16 -1.32 -1.26 -5.02 115.64 103.75 2krr s THR 139 Ca -0.14 -1.06 0.31 0.00 -1.21 0.00 0.00 61.69 59.58 2krr s THR 139 Cb 0.05 -1.07 0.37 0.00 -1.51 0.00 0.00 72.50 70.33 2krr s THR 139 CO 0.71 -0.59 2.12 -0.08 -2.21 0.00 0.00 174.62 174.57 2krr h GLU 140 N 3.26 0.00 -0.53 7.08 4.81 -1.83 -0.19 114.58 127.18 2krr h GLU 140 Ca -0.33 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.79 2krr h GLU 140 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2krr h GLU 140 CO 0.52 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 178.69 2krr h ALA 141 N 1.74 0.80 0.04 2.92 0.00 -1.94 0.25 119.26 123.08 2krr h ALA 141 Ca 0.06 -0.35 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 2krr h ALA 141 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2krr h ALA 141 CO -0.00 0.66 -1.38 0.22 0.00 0.00 0.00 179.25 178.75 2krr h ASP 142 N 0.88 0.15 0.24 0.00 3.58 -1.51 -3.13 116.42 116.62 2krr h ASP 142 Ca 0.14 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2krr h ASP 142 Cb 0.67 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2krr h ASP 142 CO 0.05 1.17 -0.11 0.00 -2.88 0.00 0.00 179.24 177.46 2krr h ALA 143 N 0.81 -0.32 -0.24 -0.78 0.00 -1.11 0.19 119.26 117.81 2krr h ALA 143 Ca -0.17 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2krr h ALA 143 Cb 1.93 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2krr h ALA 143 CO 0.13 -0.30 0.26 1.05 0.00 0.00 0.00 179.25 180.39 2krr h GLU 144 N -1.07 0.00 0.00 0.00 4.11 -0.69 -1.97 114.58 114.95 2krr h GLU 144 Ca -0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.25 2krr h GLU 144 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2krr h GLU 144 CO 0.05 0.00 -0.82 -0.22 0.07 0.00 0.00 179.01 178.09 2krr h LYS 145 N 0.00 0.00 -0.77 1.06 1.63 -1.60 -3.35 116.57 113.55 2krr h LYS 145 Ca 0.11 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 60.14 2krr h LYS 145 Cb 0.64 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.24 2krr h LYS 145 CO -0.00 0.94 0.64 1.15 -3.45 0.00 0.00 179.45 178.73 2krr h THR 146 N -1.00 0.43 -0.07 1.00 2.02 -0.08 -0.57 112.91 114.65 2krr h THR 146 Ca -0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2krr h THR 146 Cb 1.16 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 2krr h THR 146 CO -0.13 0.00 -0.42 0.15 0.37 0.00 0.00 175.52 175.49 2krr h PHE 147 N 0.00 -1.24 0.00 3.16 3.57 -1.51 0.32 116.94 121.24 2krr h PHE 147 Ca 0.36 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2krr h PHE 147 Cb 1.64 0.55 -0.00 0.00 2.79 0.00 0.00 35.95 40.93 2krr h PHE 147 CO 0.00 -0.43 -0.24 1.05 -2.23 0.00 0.00 178.31 176.46 2krr h GLU 148 N -0.47 0.00 0.00 1.11 4.11 -1.62 0.14 114.58 117.85 2krr h GLU 148 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 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 -0.32 0.04 0.00 0.93 0.07 0.00 0.00 179.01 179.73 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.54 -3.29 114.58 116.20 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 1.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2krr h GLU 149 CO 0.00 0.00 -1.01 1.63 -1.16 0.00 0.00 179.01 178.48 2krr n LYS 150 N -2.72 3.53 -1.58 2.33 4.01 0.11 -5.00 118.16 118.84 2krr n LYS 150 Ca 0.02 -0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.32 2krr n LYS 150 Cb 0.34 -1.00 -0.05 0.00 -0.51 0.00 0.00 35.03 33.81 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 -1.95 1.15 0.00 1.97 -0.06 0.49 -3.18 117.38 115.81 2krr n GLN 151 Ca -0.00 0.41 0.00 0.00 -2.00 0.00 0.00 57.00 55.41 2krr n GLN 151 Cb 0.45 -1.97 0.00 0.00 -4.06 0.00 0.00 30.24 24.66 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 2.22 1.12 3.89 1.69 0.00 -1.26 -4.93 105.19 107.91 2krr n GLY 152 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 3.77 -0.12 2.61 -1.32 -1.19 -5.03 115.64 112.35 2krr s THR 153 Ca 0.00 0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 2krr s THR 153 Cb 0.00 -3.54 0.01 0.00 -1.51 0.00 0.00 72.50 67.46 2krr s THR 153 CO 0.00 -0.67 -0.19 -1.61 -2.21 0.00 0.00 174.62 169.94 2krr s GLU 154 N -5.21 2.62 -0.02 7.08 2.02 -1.26 -3.45 118.70 120.47 2krr s GLU 154 Ca 0.56 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.85 2krr s GLU 154 Cb -0.11 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.99 2krr s GLU 154 CO 0.50 -0.02 -0.02 0.42 0.02 0.00 0.00 175.26 176.15 2krr s ILE 155 N 0.86 0.30 -1.69 -1.63 1.09 0.11 -4.78 121.20 115.45 2krr s ILE 155 Ca -0.08 -0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 2krr s ILE 155 Cb -0.15 -0.34 0.00 0.00 -1.06 0.00 0.00 42.46 40.91 2krr s ILE 155 CO -0.01 0.15 0.00 -0.67 -0.10 0.00 0.00 174.94 174.31 2krr n ASP 156 N 3.76 -4.94 0.00 3.58 -0.08 -1.26 -1.81 116.55 115.80 2krr n ASP 156 Ca -0.22 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2krr n ASP 156 Cb 0.53 -3.88 0.00 0.00 2.34 0.00 0.00 41.12 40.11 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krr n GLY 157 N -0.99 3.10 2.96 0.27 0.00 -1.26 -5.02 105.19 104.25 2krr n GLY 157 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.96 0.64 -3.98 1.61 1.85 -0.75 -5.06 116.66 110.01 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 -0.21 -0.15 0.00 -1.05 0.00 0.00 32.46 31.05 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 -3.76 4.20 0.22 2.89 0.01 -1.26 0.04 113.70 116.05 2krr s SER 159 Ca 0.47 -0.85 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 2krr s SER 159 Cb -0.04 -1.64 -0.09 0.00 0.21 0.00 0.00 66.02 64.46 2krr s SER 159 CO 0.30 -0.11 0.86 0.27 0.41 0.00 0.00 173.24 174.96 2krr s ILE 160 N 1.32 4.25 0.22 1.44 -4.36 -1.22 -4.91 121.20 117.93 2krr s ILE 160 Ca 0.00 1.83 0.09 0.00 -0.26 0.00 0.00 60.65 62.32 2krr s ILE 160 Cb -0.16 -4.17 -0.04 0.00 1.25 0.00 0.00 42.46 39.34 2krr s ILE 160 CO -0.05 0.43 -0.04 -0.44 0.24 0.00 0.00 174.94 175.08 2krr s SER 161 N -1.27 4.44 0.04 4.36 0.01 -0.99 -4.42 113.70 115.88 2krr s SER 161 Ca 0.40 -0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.13 2krr s SER 161 Cb -0.23 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2krr s SER 161 CO 0.28 0.05 -0.19 -0.76 0.41 0.00 0.00 173.24 173.03 2krr s LEU 162 N -3.25 2.16 -0.15 2.44 1.43 -1.26 -1.65 118.68 118.40 2krr s LEU 162 Ca 0.28 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 2krr s LEU 162 Cb -0.08 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.32 2krr s LEU 162 CO 0.18 0.13 0.33 -0.31 0.23 0.00 0.00 176.35 176.91 2krr s TYR 163 N -0.80 -0.53 0.46 0.29 2.02 0.10 -4.97 117.35 113.92 2krr s TYR 163 Ca 0.06 1.14 -0.23 0.00 -0.37 0.00 0.00 57.07 57.67 2krr s TYR 163 Cb -0.09 0.14 -0.07 0.00 -0.40 0.00 0.00 41.96 41.54 2krr s TYR 163 CO 0.02 -0.35 1.16 1.52 -1.57 0.00 0.00 175.55 176.32 2krr s TYR 164 N 1.93 2.88 -0.27 2.71 -0.85 -1.26 -0.06 117.35 122.42 2krr s TYR 164 Ca -0.05 1.54 -0.35 0.00 -0.52 0.00 0.00 57.07 57.69 2krr s TYR 164 Cb -0.11 -3.36 0.16 0.00 0.38 0.00 0.00 41.96 39.04 2krr s TYR 164 CO -0.11 -1.47 1.34 -0.08 -1.52 0.00 0.00 175.55 173.72 2krr s THR 165 N -1.57 0.00 -0.11 -3.49 -1.32 -1.07 -4.82 115.64 103.25 2krr s THR 165 Ca 0.64 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.14 2krr s THR 165 Cb -0.28 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.77 2krr s THR 165 CO 0.34 0.00 0.75 0.61 -2.21 0.00 0.00 174.62 174.10 2krr n GLY 166 N 0.14 -0.62 3.45 6.08 0.00 -0.96 -4.34 105.19 108.94 2krr n GLY 166 Ca 0.03 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.29 0.01 -1.05 1.61 0.00 -1.26 -4.64 120.64 115.02 2krr n GLU 167 Ca -0.09 0.05 -0.30 0.00 0.00 0.00 0.00 57.16 56.82 2krr n GLU 167 Cb 0.58 -1.86 0.25 0.00 0.00 0.00 0.00 31.44 30.41 2krr n GLU 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2krr n PRO 168 N -1.28 -3.18 -0.02 3.44 -0.04 -1.26 -5.00 135.00 127.66 2krr n PRO 168 Ca 0.08 -1.77 0.08 0.00 -0.04 0.00 0.00 63.50 61.86 2krr n PRO 168 Cb 0.52 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 2krr n PRO 168 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2krr n LYS 169 N -4.89 0.62 0.00 0.54 5.02 -1.26 -5.01 118.16 113.18 2krr n LYS 169 Ca 0.15 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2krr n LYS 169 Cb 0.60 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 1.47 1.80 0.29 0.72 0.00 -1.26 -4.56 105.19 103.64 2krr n GLY 170 Ca -0.06 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.37 -0.18 1.61 4.11 -2.03 -3.32 114.58 115.13 2krr h GLU 171 Ca 0.00 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.18 2krr h GLU 171 Cb 0.00 -0.08 -0.20 0.00 0.50 0.00 0.00 28.75 28.96 2krr h GLU 171 CO 0.00 0.24 -0.51 0.41 0.07 0.00 0.00 179.01 179.22 2krr n GLY 172 N -1.34 1.57 0.17 1.06 0.00 -1.26 -5.02 105.19 100.37 2krr n GLY 172 Ca 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2krr n GLY 172 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2krr n LEU 173 N -0.76 -0.42 0.00 0.99 -0.00 -1.25 -4.91 117.00 110.64 2krr n LEU 173 Ca -0.04 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 2krr n LEU 173 Cb 0.85 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2krr n LEU 173 CO -0.04 -0.77 0.21 1.21 -0.00 0.00 0.00 177.39 178.00