#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr h THR 2 N 0.00 1.05 0.41 2.61 1.03 -2.04 -3.35 112.91 112.61 2krr h THR 2 Ca 0.00 -2.54 -0.01 0.00 -0.01 0.00 0.00 66.41 63.85 2krr h THR 2 Cb 0.00 2.49 -0.03 0.00 -1.07 0.00 0.00 68.15 69.54 2krr h THR 2 CO 0.00 0.60 -0.50 -0.33 -0.01 0.00 0.00 175.52 175.28 2krr h GLU 3 N 0.00 -0.89 -7.37 0.00 4.39 -2.04 -3.43 114.58 105.23 2krr h GLU 3 Ca -0.04 0.06 -0.43 0.00 0.34 0.00 0.00 59.36 59.29 2krr h GLU 3 Cb 1.54 0.20 0.18 0.00 -0.10 0.00 0.00 28.75 30.57 2krr h GLU 3 CO 0.08 -0.59 0.16 -1.25 -1.16 0.00 0.00 179.01 176.25 2krr s PRO 4 N -5.72 -0.43 0.00 2.33 0.04 -1.26 -4.98 135.00 124.98 2krr s PRO 4 Ca -0.17 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2krr s PRO 4 Cb 0.04 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.92 2krr s PRO 4 CO 0.58 -3.24 0.00 0.25 0.04 0.00 0.00 177.00 174.62 2krr n THR 5 N -4.48 0.00 -4.57 1.26 -2.24 -1.26 -5.03 114.28 97.96 2krr n THR 5 Ca 0.09 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.62 2krr n THR 5 Cb 0.58 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.65 0.00 0.78 4.28 -2.24 -1.26 -5.03 114.28 108.16 2krr n THR 6 Ca 0.00 -1.86 0.07 0.00 -2.27 0.00 0.00 64.05 60.00 2krr n THR 6 Cb 0.48 0.40 0.21 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.73 2.45 -3.26 6.98 0.00 -1.26 -4.75 120.51 118.94 2krr n ALA 7 Ca -0.16 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.19 2krr n ALA 7 Cb 0.50 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.51 3.34 0.06 0.00 0.08 -1.26 -4.94 117.98 113.74 2krr s PHE 8 Ca 0.28 -1.49 -0.13 0.00 0.12 0.00 0.00 56.93 55.71 2krr s PHE 8 Cb 0.15 -3.01 0.02 0.00 -0.57 0.00 0.00 43.02 39.60 2krr s PHE 8 CO 0.20 -0.85 0.28 -0.80 -0.10 0.00 0.00 175.22 173.95 2krr s ASN 9 N 2.19 -0.08 0.04 1.36 -0.87 -1.26 -1.37 114.94 114.95 2krr s ASN 9 Ca 0.03 -0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 2krr s ASN 9 Cb -0.23 0.36 -0.02 0.00 -0.02 0.00 0.00 41.25 41.33 2krr s ASN 9 CO 0.02 -0.65 -0.06 -1.48 -2.57 0.00 0.00 177.10 172.36 2krr s LEU 10 N -2.25 2.27 -0.22 0.60 0.05 -0.47 -4.79 118.68 113.86 2krr s LEU 10 Ca -0.03 -0.57 -0.25 0.00 0.05 0.00 0.00 54.13 53.33 2krr s LEU 10 Cb 0.00 -0.08 -0.01 0.00 -2.05 0.00 0.00 46.19 44.06 2krr s LEU 10 CO -0.05 -0.25 0.85 0.12 -0.55 0.00 0.00 176.35 176.47 2krr s PHE 11 N -1.57 3.34 0.28 3.48 2.19 0.10 -1.59 117.98 124.21 2krr s PHE 11 Ca -0.10 1.20 0.09 0.00 0.33 0.00 0.00 56.93 58.44 2krr s PHE 11 Cb -0.09 -3.06 -0.04 0.00 -1.31 0.00 0.00 43.02 38.52 2krr s PHE 11 CO -0.00 -0.37 0.05 0.14 1.83 0.00 0.00 175.22 176.86 2krr s VAL 12 N 2.72 3.49 0.31 3.12 -7.23 0.99 0.80 120.40 124.60 2krr s VAL 12 Ca 0.37 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2krr s VAL 12 Cb -0.16 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.86 2krr s VAL 12 CO 0.08 -0.33 0.47 0.61 -0.31 0.00 0.00 175.10 175.62 2krr n GLY 13 N -0.98 2.02 3.68 2.32 0.00 0.61 -1.43 105.19 111.42 2krr n GLY 13 Ca -0.06 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 2krr n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2krr n ASN 14 N -1.64 -4.12 -1.27 1.61 5.15 0.13 -0.20 115.26 114.92 2krr n ASN 14 Ca -0.01 -0.96 0.12 0.00 -0.60 0.00 0.00 54.58 53.13 2krr n ASN 14 Cb 0.51 -3.61 0.27 0.00 -0.53 0.00 0.00 39.78 36.42 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 -4.14 3.74 -1.34 1.20 4.77 -0.50 -3.39 117.00 117.35 2krr n LEU 15 Ca -0.15 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 2krr n LEU 15 Cb 0.62 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2krr n LEU 15 CO 0.68 0.88 -0.35 -3.20 -1.33 0.00 0.00 177.39 174.07 2krr n ASN 16 N 1.58 -7.36 -3.80 -1.43 5.15 -1.25 -4.86 115.26 103.29 2krr n ASN 16 Ca 0.22 0.97 -0.36 0.00 -0.60 0.00 0.00 54.58 54.82 2krr n ASN 16 Cb 0.62 -3.38 -0.04 0.00 -0.53 0.00 0.00 39.78 36.45 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 0.14 3.14 0.00 1.20 -1.74 -1.19 -4.48 117.46 114.52 2krr n PHE 17 Ca 0.00 -3.44 0.00 0.00 -0.56 0.00 0.00 57.45 53.45 2krr n PHE 17 Cb 0.00 -0.98 0.00 0.00 1.52 0.00 0.00 39.48 40.02 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 1.31 2.22 -4.31 5.98 3.02 -1.26 -5.05 115.26 117.17 2krr n ASN 18 Ca 0.27 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.59 2krr n ASN 18 Cb 0.37 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.67 2krr n ASN 18 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2krr n LYS 19 N -2.05 -0.26 -1.02 3.52 4.01 -1.26 -5.09 118.16 116.01 2krr n LYS 19 Ca 0.00 -2.47 -0.29 0.00 -0.51 0.00 0.00 58.31 55.04 2krr n LYS 19 Cb 0.28 -0.73 0.22 0.00 -0.51 0.00 0.00 35.03 34.28 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 -4.96 1.44 0.01 4.39 0.01 -1.26 -4.91 113.70 108.41 2krr s SER 20 Ca 0.64 0.94 -0.25 0.00 1.31 0.00 0.00 55.95 58.59 2krr s SER 20 Cb -0.03 -1.41 -0.14 0.00 0.21 0.00 0.00 66.02 64.65 2krr s SER 20 CO 0.43 -3.83 1.05 0.00 0.41 0.00 0.00 173.24 171.29 2krr h ALA 21 N -2.38 -0.92 0.00 1.44 0.00 -1.98 -3.10 119.26 112.33 2krr h ALA 21 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2krr h ALA 21 Cb 1.32 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2krr h ALA 21 CO 0.45 -0.85 0.00 -0.35 0.00 0.00 0.00 179.25 178.50 2krr n PRO 22 N -5.29 0.11 0.14 0.00 -0.04 -1.26 -2.15 135.00 126.51 2krr n PRO 22 Ca -0.11 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2krr n PRO 22 Cb 0.35 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.07 0.54 3.07 -1.91 -3.31 114.58 113.05 2krr h GLU 23 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 2krr h GLU 23 Cb 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2krr h GLU 23 CO 0.00 0.00 -1.48 -0.07 -1.40 0.00 0.00 179.01 176.06 2krr h LEU 24 N 0.00 0.23 -0.71 1.33 3.38 -1.38 -3.35 115.31 114.81 2krr h LEU 24 Ca 0.00 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.78 2krr h LEU 24 Cb 0.91 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 2krr h LEU 24 CO 0.00 1.28 0.22 0.11 0.09 0.00 0.00 178.44 180.13 2krr h LYS 25 N 0.04 0.33 0.28 1.13 1.57 -1.64 -1.37 116.57 116.90 2krr h LYS 25 Ca -0.21 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2krr h LYS 25 Cb 1.97 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.17 2krr h LYS 25 CO 0.13 0.22 -0.41 1.15 -0.57 0.00 0.00 179.45 179.97 2krr h THR 26 N 0.34 0.17 -0.50 -0.16 2.02 -1.73 -1.40 112.91 111.65 2krr h THR 26 Ca 0.39 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.65 2krr h THR 26 Cb 0.62 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.13 2krr h THR 26 CO -0.44 0.00 0.10 1.23 0.37 0.00 0.00 175.52 176.78 2krr h GLY 27 N -0.75 0.60 0.37 2.16 0.00 -1.56 0.29 103.07 104.18 2krr h GLY 27 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.35 2krr h GLY 27 CO -0.14 -0.07 -0.09 -2.22 0.00 0.00 0.00 176.54 174.02 2krr h ILE 28 N 0.24 0.66 0.00 2.60 2.04 -0.95 0.16 117.51 122.26 2krr h ILE 28 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 2krr h ILE 28 Cb 0.33 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2krr h ILE 28 CO -0.32 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.60 2krr h SER 29 N -0.03 0.00 0.46 1.72 4.64 -0.68 -3.21 113.55 116.45 2krr h SER 29 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2krr h SER 29 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2krr h SER 29 CO -0.32 0.00 -0.22 -0.78 -0.87 0.00 0.00 176.83 174.64 2krr h ASP 30 N 0.00 -0.52 -0.99 4.97 1.82 0.15 -1.68 116.42 120.17 2krr h ASP 30 Ca 0.00 -0.04 0.21 0.00 -0.39 0.00 0.00 57.03 56.81 2krr h ASP 30 Cb 0.61 0.13 -0.10 0.00 0.68 0.00 0.00 39.33 40.66 2krr h ASP 30 CO 0.00 -0.10 0.62 1.62 -1.61 0.00 0.00 179.24 179.77 2krr h VAL 31 N -1.10 0.65 -0.33 2.25 3.04 -1.31 0.10 116.25 119.55 2krr h VAL 31 Ca -0.06 -0.21 -0.16 0.00 -1.01 0.00 0.00 66.70 65.26 2krr h VAL 31 Cb 0.53 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 2krr h VAL 31 CO 0.10 0.11 -0.41 -0.26 -1.01 0.00 0.00 177.57 176.10 2krr h PHE 32 N 0.61 0.98 -0.00 3.17 0.04 -1.57 -2.79 116.94 117.38 2krr h PHE 32 Ca 0.57 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2krr h PHE 32 Cb 1.09 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 2krr h PHE 32 CO -0.00 1.09 0.01 0.00 -0.60 0.00 0.00 178.31 178.80 2krr h ALA 33 N 0.87 1.12 0.00 2.45 0.00 0.19 0.57 119.26 124.46 2krr h ALA 33 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2krr h ALA 33 Cb 0.98 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2krr h ALA 33 CO 0.09 -0.01 -0.72 1.57 0.00 0.00 0.00 179.25 180.18 2krr h LYS 34 N 0.00 0.00 -0.93 0.00 2.10 -1.19 -3.26 116.57 113.30 2krr h LYS 34 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 2krr h LYS 34 Cb 0.01 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.14 2krr h LYS 34 CO -0.00 0.47 0.43 0.09 -2.00 0.00 0.00 179.45 178.44 2krr n ASN 35 N -3.15 3.91 -2.58 7.07 3.02 0.05 -4.86 115.26 118.71 2krr n ASN 35 Ca -0.01 -3.22 -0.21 0.00 -0.03 0.00 0.00 54.58 51.11 2krr n ASN 35 Cb 0.76 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.58 -5.86 -4.57 6.41 8.00 -1.19 -4.97 116.55 113.79 2krr n ASP 36 Ca 0.44 -0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 2krr n ASP 36 Cb 1.39 -4.84 -0.11 0.00 -0.02 0.00 0.00 41.12 37.54 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 -6.21 3.26 -0.16 0.64 1.43 -0.34 -5.02 118.68 112.29 2krr s LEU 37 Ca 0.09 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2krr s LEU 37 Cb -0.04 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2krr s LEU 37 CO 0.11 0.29 -0.14 0.00 0.23 0.00 0.00 176.35 176.84 2krr s ALA 38 N -0.38 2.55 -0.03 4.21 0.00 -1.26 -3.23 121.76 123.62 2krr s ALA 38 Ca 0.06 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2krr s ALA 38 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2krr s ALA 38 CO 0.02 -0.07 0.10 0.14 0.00 0.00 0.00 175.76 175.95 2krr s VAL 39 N 0.88 4.92 -0.12 0.00 -7.23 -1.26 -3.87 120.40 113.71 2krr s VAL 39 Ca -0.04 -0.25 0.17 0.00 -1.81 0.00 0.00 61.98 60.05 2krr s VAL 39 Cb -0.15 -3.22 -0.23 0.00 0.56 0.00 0.00 36.38 33.34 2krr s VAL 39 CO -0.01 0.42 0.44 1.33 -0.31 0.00 0.00 175.10 176.98 2krr n VAL 40 N 1.38 1.24 -3.61 1.32 0.24 -0.27 -4.90 118.33 113.73 2krr n VAL 40 Ca -0.14 -0.76 -0.10 0.00 -2.04 0.00 0.00 64.34 61.29 2krr n VAL 40 Cb 0.53 -0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 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 -5.60 -0.46 -0.04 -1.34 2.15 -1.23 -4.96 116.67 105.18 2krr s ASP 41 Ca -0.07 0.76 0.03 0.00 0.43 0.00 0.00 52.55 53.70 2krr s ASP 41 Cb 0.08 0.73 0.01 0.00 -0.30 0.00 0.00 42.92 43.43 2krr s ASP 41 CO 0.83 -0.24 -0.12 -0.69 -0.17 0.00 0.00 175.17 174.78 2krr s VAL 42 N -0.24 1.07 0.08 1.11 1.01 -1.26 -0.09 120.40 122.07 2krr s VAL 42 Ca 0.01 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2krr s VAL 42 Cb -0.03 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2krr s VAL 42 CO -0.03 0.33 -0.25 -0.60 0.00 0.00 0.00 175.10 174.56 2krr s ARG 43 N 0.34 1.72 -0.02 2.72 3.52 0.38 -4.93 118.95 122.69 2krr s ARG 43 Ca -0.07 -1.17 0.05 0.00 -0.13 0.00 0.00 55.73 54.40 2krr s ARG 43 Cb -0.12 -2.00 -0.01 0.00 -1.56 0.00 0.00 34.95 31.26 2krr s ARG 43 CO 0.02 0.50 -0.16 0.42 -0.81 0.00 0.00 175.30 175.26 2krr s ILE 44 N -0.93 1.31 0.55 4.11 1.09 -1.26 -0.07 121.20 125.99 2krr s ILE 44 Ca 0.13 -0.69 -0.09 0.00 -1.10 0.00 0.00 60.65 58.90 2krr s ILE 44 Cb -0.10 -1.10 0.14 0.00 -1.06 0.00 0.00 42.46 40.34 2krr s ILE 44 CO 0.04 0.37 0.37 0.61 -0.10 0.00 0.00 174.94 176.24 2krr n GLY 45 N 2.80 -3.41 0.07 6.18 0.00 0.80 -4.90 105.19 106.73 2krr n GLY 45 Ca -0.15 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 0.05 0.00 1.61 -0.00 -2.01 -3.19 114.93 111.39 2krr h MET 46 Ca -0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 59.70 59.45 2krr h MET 46 Cb 0.51 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2krr h MET 46 CO 0.10 1.01 0.00 -2.37 -0.00 0.00 0.00 176.91 175.65 2krr n THR 47 N -3.36 0.22 -2.03 -0.10 5.66 -1.26 -4.88 114.28 108.52 2krr n THR 47 Ca -0.03 0.06 -0.20 0.00 -3.05 0.00 0.00 64.05 60.82 2krr n THR 47 Cb 0.96 -0.62 -0.05 0.00 -1.55 0.00 0.00 70.33 69.08 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 -1.46 -1.59 0.00 1.09 3.00 -1.21 -4.64 116.66 111.85 2krr n ARG 48 Ca 0.07 1.09 0.04 0.00 -0.01 0.00 0.00 57.85 59.04 2krr n ARG 48 Cb 0.28 -5.63 -0.02 0.00 0.00 0.00 0.00 32.46 27.10 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 -2.71 3.30 -3.87 5.56 2.85 -1.26 -3.20 118.16 118.83 2krr n LYS 49 Ca -0.23 -0.28 -0.10 0.00 -1.05 0.00 0.00 58.31 56.65 2krr n LYS 49 Cb 0.68 -0.94 0.01 0.00 -0.65 0.00 0.00 35.03 34.13 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2krr s PHE 50 N -1.44 0.35 -1.81 5.58 -0.12 -1.26 0.22 117.98 119.50 2krr s PHE 50 Ca 0.05 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 55.99 2krr s PHE 50 Cb 0.06 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 43.08 2krr s PHE 50 CO 0.26 -1.49 0.00 0.41 -0.05 0.00 0.00 175.22 174.35 2krr n GLY 51 N -0.54 -0.56 3.09 1.99 0.00 -0.51 -0.14 105.19 108.51 2krr n GLY 51 Ca -0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.14 0.74 -0.09 1.61 1.51 0.89 -0.00 117.35 118.87 2krr s TYR 52 Ca 0.00 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2krr s TYR 52 Cb 0.00 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.43 2krr s TYR 52 CO 0.00 -0.09 -0.14 0.08 -1.11 0.00 0.00 175.55 174.30 2krr s VAL 53 N -1.80 1.30 -0.04 0.71 1.01 -0.62 -0.47 120.40 120.49 2krr s VAL 53 Ca -0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2krr s VAL 53 Cb -0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2krr s VAL 53 CO -0.00 0.40 0.10 -1.81 0.00 0.00 0.00 175.10 173.78 2krr s ASP 54 N 0.83 5.85 0.17 3.32 1.01 0.87 -1.37 116.67 127.35 2krr s ASP 54 Ca -0.11 0.24 0.09 0.00 0.71 0.00 0.00 52.55 53.48 2krr s ASP 54 Cb -0.15 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2krr s ASP 54 CO 0.01 0.31 -0.19 -0.36 0.21 0.00 0.00 175.17 175.15 2krr s PHE 55 N -1.14 1.92 0.43 4.23 0.40 -0.47 -1.11 117.98 122.24 2krr s PHE 55 Ca 0.21 -0.45 0.10 0.00 -0.60 0.00 0.00 56.93 56.19 2krr s PHE 55 Cb -0.12 -0.95 0.95 0.00 0.51 0.00 0.00 43.02 43.41 2krr s PHE 55 CO 0.11 0.37 2.05 0.93 0.70 0.00 0.00 175.22 179.38 2krr h GLU 56 N 3.20 0.44 0.00 0.44 5.08 -1.89 -3.41 114.58 118.44 2krr h GLU 56 Ca -0.43 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 57.69 2krr h GLU 56 Cb 1.21 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 2krr h GLU 56 CO 0.51 0.29 -0.19 0.45 -1.00 0.00 0.00 179.01 179.07 2krr n SER 57 N -4.48 -0.43 0.12 1.42 2.88 -1.26 -4.98 113.62 106.88 2krr n SER 57 Ca 0.04 -2.05 0.03 0.00 -1.33 0.00 0.00 58.87 55.56 2krr n SER 57 Cb 0.15 0.93 0.01 0.00 -0.75 0.00 0.00 64.21 64.56 2krr n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2krr h ALA 58 N 1.58 0.68 0.80 -1.46 0.00 -1.96 -3.22 119.26 115.67 2krr h ALA 58 Ca -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2krr h ALA 58 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2krr h ALA 58 CO 0.17 0.62 -0.43 0.93 0.00 0.00 0.00 179.25 180.54 2krr h GLU 59 N 0.00 -1.09 0.00 0.00 5.08 -1.98 0.18 114.58 116.76 2krr h GLU 59 Ca -0.04 0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2krr h GLU 59 Cb 1.39 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 2krr h GLU 59 CO 0.05 -0.73 -0.11 -0.44 -1.00 0.00 0.00 179.01 176.78 2krr h ASP 60 N -1.14 0.00 0.18 1.42 3.32 -1.95 0.13 116.42 118.37 2krr h ASP 60 Ca -0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2krr h ASP 60 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2krr h ASP 60 CO 0.15 0.11 -0.08 0.25 -1.72 0.00 0.00 179.24 177.95 2krr h LEU 61 N 0.00 -0.20 -1.02 1.55 6.46 -1.46 -3.04 115.31 117.60 2krr h LEU 61 Ca -0.00 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.39 2krr h LEU 61 Cb 0.33 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2krr h LEU 61 CO 0.01 0.34 -0.17 1.05 -0.62 0.00 0.00 178.44 179.05 2krr h GLU 62 N -0.86 0.00 -0.47 1.25 -0.00 -0.54 -3.13 114.58 110.83 2krr h GLU 62 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.30 2krr h GLU 62 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.25 2krr h GLU 62 CO 0.04 0.17 0.15 0.87 -0.00 0.00 0.00 179.01 180.24 2krr h LYS 63 N 0.00 0.74 -0.06 1.06 1.57 -0.79 -2.21 116.57 116.87 2krr h LYS 63 Ca -0.00 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2krr h LYS 63 Cb 0.76 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2krr h LYS 63 CO 0.02 0.70 0.11 0.00 -0.57 0.00 0.00 179.45 179.71 2krr h ALA 64 N 1.00 1.47 0.00 3.86 0.00 -1.47 0.34 119.26 124.46 2krr h ALA 64 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2krr h ALA 64 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2krr h ALA 64 CO -0.00 -0.14 -0.33 1.28 0.00 0.00 0.00 179.25 180.06 2krr n LEU 65 N -3.53 0.39 -0.12 0.00 4.32 -0.84 -4.17 117.00 113.05 2krr n LEU 65 Ca -0.01 0.23 -0.22 0.00 -0.02 0.00 0.00 56.01 55.98 2krr n LEU 65 Cb 0.20 -0.32 -0.08 0.00 -1.62 0.00 0.00 43.42 41.59 2krr n LEU 65 CO 0.24 0.04 -1.01 -0.62 -1.22 0.00 0.00 177.39 174.82 2krr n GLU 66 N -1.63 0.56 -0.39 3.23 -0.58 0.11 -4.99 120.64 116.94 2krr n GLU 66 Ca 0.06 0.35 -0.28 0.00 -0.42 0.00 0.00 57.16 56.86 2krr n GLU 66 Cb 0.36 -1.55 0.25 0.00 -0.57 0.00 0.00 31.44 29.92 2krr n GLU 66 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2krr n LEU 67 N -4.36 -1.21 -4.05 -4.62 -0.00 -0.52 -5.06 117.00 97.18 2krr n LEU 67 Ca -0.38 -0.51 -0.10 0.00 -0.00 0.00 0.00 56.01 55.02 2krr n LEU 67 Cb 0.72 -1.03 -0.08 0.00 -0.00 0.00 0.00 43.42 43.02 2krr n LEU 67 CO 0.11 -3.86 -0.15 0.28 -0.00 0.00 0.00 177.39 173.76 2krr s THR 68 N -2.20 0.08 0.00 1.47 -1.32 -1.26 -4.95 115.64 107.46 2krr s THR 68 Ca 0.62 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 2krr s THR 68 Cb -0.15 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 2krr s THR 68 CO 0.57 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2krr n GLY 69 N -0.16 1.00 3.57 6.08 0.00 -1.26 -5.06 105.19 109.36 2krr n GLY 69 Ca -0.06 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.47 4.21 0.02 0.99 1.43 -1.26 -5.06 118.68 118.54 2krr s LEU 70 Ca 0.00 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 2krr s LEU 70 Cb 0.00 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.91 2krr s LEU 70 CO 0.00 -0.22 0.21 -1.59 0.23 0.00 0.00 176.35 174.98 2krr s LYS 71 N 1.98 0.65 -0.05 1.70 0.00 -1.26 -2.63 119.74 120.12 2krr s LYS 71 Ca 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 55.97 55.58 2krr s LYS 71 Cb -0.16 0.27 0.03 0.00 0.00 0.00 0.00 37.83 37.97 2krr s LYS 71 CO 0.11 -0.18 0.12 0.08 0.00 0.00 0.00 175.35 175.48 2krr s VAL 72 N -2.04 -0.04 -1.88 1.79 1.01 0.86 -4.71 120.40 115.39 2krr s VAL 72 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2krr s VAL 72 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.15 2krr s VAL 72 CO -0.01 0.05 0.00 0.49 0.00 0.00 0.00 175.10 175.63 2krr n PHE 73 N 3.83 -0.54 0.00 5.22 3.72 -1.26 -1.99 117.46 126.44 2krr n PHE 73 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2krr n PHE 73 Cb 0.54 -3.53 0.00 0.00 -0.94 0.00 0.00 39.48 35.55 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 -0.65 2.96 3.76 1.37 0.00 -1.26 -5.03 105.19 106.35 2krr n GLY 74 Ca -0.21 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.37 1.61 0.01 -0.84 -4.99 114.94 117.57 2krr s ASN 75 Ca 0.00 2.27 -0.28 0.00 -0.71 0.00 0.00 52.86 54.14 2krr s ASN 75 Cb 0.00 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2krr s ASN 75 CO 0.00 -0.19 1.04 -0.70 -1.51 0.00 0.00 177.10 175.74 2krr s GLU 76 N -1.55 3.93 0.61 -0.60 2.12 -1.26 -0.10 118.70 121.85 2krr s GLU 76 Ca 0.46 0.81 -0.16 0.00 0.36 0.00 0.00 54.97 56.44 2krr s GLU 76 Cb -0.31 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 2krr s GLU 76 CO 0.40 -1.01 1.09 0.96 -0.54 0.00 0.00 175.26 176.16 2krr s ILE 77 N 3.76 3.46 -0.05 -3.70 -5.25 -1.08 -4.77 121.20 113.56 2krr s ILE 77 Ca 0.44 0.72 0.01 0.00 -0.99 0.00 0.00 60.65 60.83 2krr s ILE 77 Cb -0.11 -3.24 -0.03 0.00 2.95 0.00 0.00 42.46 42.03 2krr s ILE 77 CO 0.20 -0.37 -0.06 -0.54 -1.79 0.00 0.00 174.94 172.37 2krr s LYS 78 N -3.93 2.72 -0.09 0.37 -0.14 0.72 -4.79 119.74 114.59 2krr s LYS 78 Ca 0.67 -0.58 0.02 0.00 -1.36 0.00 0.00 55.97 54.71 2krr s LYS 78 Cb -0.19 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.35 2krr s LYS 78 CO 0.37 0.65 -0.14 -0.51 -0.76 0.00 0.00 175.35 174.96 2krr s LEU 79 N -0.98 2.69 0.37 3.17 1.02 -1.26 -0.28 118.68 123.40 2krr s LEU 79 Ca 0.14 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 53.93 2krr s LEU 79 Cb -0.11 -1.58 0.03 0.00 0.02 0.00 0.00 46.19 44.55 2krr s LEU 79 CO 0.03 0.24 0.61 -1.61 0.02 0.00 0.00 176.35 175.65 2krr s GLU 80 N -0.12 2.08 -0.03 1.70 2.02 0.24 -4.99 118.70 119.60 2krr s GLU 80 Ca -0.02 -1.65 0.07 0.00 0.02 0.00 0.00 54.97 53.40 2krr s GLU 80 Cb -0.14 0.52 -0.02 0.00 0.10 0.00 0.00 34.13 34.60 2krr s GLU 80 CO 0.04 -0.91 -0.25 0.15 0.02 0.00 0.00 175.26 174.30 2krr s LYS 81 N -2.68 2.21 0.00 1.61 3.01 -1.26 0.03 119.74 122.65 2krr s LYS 81 Ca 0.24 -0.92 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 2krr s LYS 81 Cb -0.02 -2.08 0.00 0.00 -1.01 0.00 0.00 37.83 34.72 2krr s LYS 81 CO 0.17 0.53 0.00 -0.35 0.51 0.00 0.00 175.35 176.21 2krr n PRO 82 N 2.53 -0.95 -5.00 -1.68 -0.04 -1.26 -4.79 135.00 123.81 2krr n PRO 82 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 2krr n PRO 82 Cb 0.51 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.82 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 -2.90 3.00 0.00 0.54 -2.85 -1.26 -5.05 119.74 111.22 2krr s LYS 83 Ca 0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2krr s LYS 83 Cb 0.00 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2krr s LYS 83 CO 0.00 0.31 0.00 0.41 0.10 0.00 0.00 175.35 176.17 2krr n GLY 84 N 3.21 4.04 3.68 0.59 0.00 -1.26 -5.08 105.19 110.37 2krr n GLY 84 Ca -0.18 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 43.91 2krr n GLY 84 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2krr n LYS 85 N -1.89 2.37 -1.08 1.61 2.85 -1.26 -4.84 118.16 115.93 2krr n LYS 85 Ca 0.00 0.87 0.00 0.00 -1.05 0.00 0.00 58.31 58.13 2krr n LYS 85 Cb 0.00 -2.71 0.00 0.00 -0.65 0.00 0.00 35.03 31.67 2krr n LYS 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2krr n ASP 86 N 5.55 0.00 0.21 -5.58 -0.08 -1.26 -4.98 116.55 110.41 2krr n ASP 86 Ca 0.20 -0.59 0.14 0.00 -1.51 0.00 0.00 54.79 53.03 2krr n ASP 86 Cb 0.32 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.51 2krr n ASP 86 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2krr h SER 87 N 0.00 0.00 -0.42 1.67 0.87 -1.92 -2.47 113.55 111.28 2krr h SER 87 Ca 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 2krr h SER 87 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2krr h SER 87 CO 0.00 0.00 0.51 0.11 -0.53 0.00 0.00 176.83 176.92 2krr h LYS 88 N 0.00 0.00 -0.98 2.24 6.56 -1.93 -0.11 116.57 122.34 2krr h LYS 88 Ca 0.00 0.00 0.22 0.00 -1.06 0.00 0.00 60.65 59.81 2krr h LYS 88 Cb 0.08 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 31.65 2krr h LYS 88 CO 0.00 0.00 0.62 1.57 -2.06 0.00 0.00 179.45 179.58 2krr h LYS 89 N 0.00 0.52 -0.73 3.15 2.10 -1.80 0.28 116.57 120.09 2krr h LYS 89 Ca 0.20 -0.03 0.20 0.00 -2.00 0.00 0.00 60.65 59.02 2krr h LYS 89 Cb 1.22 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 32.39 2krr h LYS 89 CO -0.00 0.35 0.52 0.93 -2.00 0.00 0.00 179.45 179.24 2krr h GLU 90 N 0.54 0.10 -0.04 0.07 4.39 -1.28 0.13 114.58 118.48 2krr h GLU 90 Ca 0.55 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 60.03 2krr h GLU 90 Cb 1.17 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2krr h GLU 90 CO -0.29 0.07 -0.86 0.00 -1.16 0.00 0.00 179.01 176.76 2krr h ARG 91 N 0.10 0.47 0.00 2.33 2.47 -0.63 -3.00 114.38 116.12 2krr h ARG 91 Ca 0.35 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2krr h ARG 91 Cb 1.25 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2krr h ARG 91 CO -0.04 1.10 0.00 -3.47 0.56 0.00 0.00 179.97 178.11 2krr n ASP 92 N -3.80 0.32 0.09 7.04 2.03 0.41 -2.80 116.55 119.83 2krr n ASP 92 Ca -0.06 0.59 0.21 0.00 0.52 0.00 0.00 54.79 56.05 2krr n ASP 92 Cb 0.79 -0.65 0.73 0.00 -0.72 0.00 0.00 41.12 41.26 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr h ALA 93 N 2.28 2.12 -0.94 -1.67 0.00 -1.33 0.12 119.26 119.85 2krr h ALA 93 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 2krr h ALA 93 Cb 0.23 0.03 -0.36 0.00 0.00 0.00 0.00 17.79 17.69 2krr h ALA 93 CO 0.00 -0.71 0.02 -2.13 0.00 0.00 0.00 179.25 176.43 2krr n ARG 94 N -3.62 3.16 -1.73 0.00 3.00 -1.12 -4.12 116.66 112.22 2krr n ARG 94 Ca 0.08 -3.80 -0.40 0.00 -0.00 0.00 0.00 57.85 53.73 2krr n ARG 94 Cb 0.67 -2.28 0.02 0.00 0.00 0.00 0.00 32.46 30.87 2krr n ARG 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2krr n THR 95 N -0.76 2.96 -3.45 5.15 -1.04 0.43 -4.62 114.28 112.96 2krr n THR 95 Ca 0.52 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 2krr n THR 95 Cb 0.75 -1.67 -0.05 0.00 -1.82 0.00 0.00 70.33 67.54 2krr n THR 95 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2krr s LEU 96 N -2.43 4.20 0.05 -4.42 2.01 -0.98 -1.57 118.68 115.54 2krr s LEU 96 Ca 0.64 0.88 0.09 0.00 0.01 0.00 0.00 54.13 55.75 2krr s LEU 96 Cb -0.46 -3.59 -0.03 0.00 0.01 0.00 0.00 46.19 42.12 2krr s LEU 96 CO 0.56 -0.04 -0.26 -0.22 1.01 0.00 0.00 176.35 177.40 2krr s LEU 97 N -2.72 2.18 -0.14 1.79 2.96 0.90 -1.43 118.68 122.22 2krr s LEU 97 Ca 0.46 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 2krr s LEU 97 Cb -0.12 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2krr s LEU 97 CO 0.21 0.24 0.08 0.00 -1.32 0.00 0.00 176.35 175.57 2krr s ALA 98 N -0.83 3.57 0.24 5.97 0.00 0.10 -0.39 121.76 130.42 2krr s ALA 98 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2krr s ALA 98 Cb -0.10 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2krr s ALA 98 CO 0.02 0.43 0.17 0.15 0.00 0.00 0.00 175.76 176.54 2krr s LYS 99 N -0.42 1.37 -1.66 0.00 1.02 -0.77 -2.95 119.74 116.33 2krr s LYS 99 Ca 0.10 -1.75 -0.02 0.00 0.02 0.00 0.00 55.97 54.32 2krr s LYS 99 Cb -0.12 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2krr s LYS 99 CO 0.02 -0.47 0.32 -1.71 -0.92 0.00 0.00 175.35 172.60 2krr n ASN 100 N -0.66 -6.03 -4.88 2.83 5.15 -1.26 -2.71 115.26 107.70 2krr n ASN 100 Ca 0.04 -0.16 -0.31 0.00 -0.60 0.00 0.00 54.58 53.55 2krr n ASN 100 Cb 0.65 -4.93 -0.05 0.00 -0.53 0.00 0.00 39.78 34.92 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 -6.33 4.20 0.93 1.20 1.43 -1.26 -4.44 118.68 114.42 2krr s LEU 101 Ca 0.16 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 2krr s LEU 101 Cb -0.07 -2.82 0.15 0.00 0.03 0.00 0.00 46.19 43.48 2krr s LEU 101 CO 0.20 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.88 2krr s PRO 102 N -2.46 0.96 0.00 1.29 0.04 -1.26 -4.61 135.00 128.96 2krr s PRO 102 Ca 0.33 0.71 0.25 0.00 0.04 0.00 0.00 61.00 62.33 2krr s PRO 102 Cb -0.13 -1.78 1.29 0.00 0.04 0.00 0.00 34.50 33.92 2krr s PRO 102 CO 0.26 -2.42 1.83 0.66 0.04 0.00 0.00 177.00 177.37 2krr n TYR 103 N -3.99 0.00 0.14 0.56 4.01 -1.26 -2.52 117.16 114.09 2krr n TYR 103 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 2krr n TYR 103 Cb 0.56 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 39.38 2krr n TYR 103 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krr n LYS 104 N -1.23 0.22 -0.94 -0.72 2.85 -1.26 -1.70 118.16 115.38 2krr n LYS 104 Ca 0.13 -0.94 -0.34 0.00 -1.05 0.00 0.00 58.31 56.12 2krr n LYS 104 Cb 0.17 -1.09 0.10 0.00 -0.65 0.00 0.00 35.03 33.57 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 0.18 0.53 -3.98 0.58 3.14 -1.05 -4.95 118.33 112.78 2krr n VAL 105 Ca 0.03 -0.27 -0.09 0.00 -2.96 0.00 0.00 64.34 61.05 2krr n VAL 105 Cb 0.15 -0.63 -0.11 0.00 -1.06 0.00 0.00 33.84 32.19 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 -2.23 0.12 0.23 1.55 2.01 -1.26 -4.78 115.64 111.27 2krr s THR 106 Ca 0.59 -0.97 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 2krr s THR 106 Cb -0.25 -0.38 0.29 0.00 0.01 0.00 0.00 72.50 72.16 2krr s THR 106 CO 0.65 -0.53 1.59 1.56 -0.69 0.00 0.00 174.62 177.20 2krr h GLN 107 N 4.49 -0.03 -0.72 4.92 4.20 -1.98 0.28 115.11 126.28 2krr h GLN 107 Ca -0.32 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.54 2krr h GLN 107 Cb 1.20 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.89 2krr h GLN 107 CO 0.43 -0.02 0.21 0.22 -0.67 0.00 0.00 178.83 178.99 2krr h ASP 108 N -0.03 0.09 -0.04 1.46 3.58 -1.96 0.15 116.42 119.66 2krr h ASP 108 Ca 0.35 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.95 2krr h ASP 108 Cb 0.58 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 2krr h ASP 108 CO -0.81 0.01 -0.40 -0.33 -2.88 0.00 0.00 179.24 174.83 2krr h GLU 109 N 0.32 -0.45 0.00 0.28 4.39 -0.84 -0.00 114.58 118.28 2krr h GLU 109 Ca 0.40 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 2krr h GLU 109 Cb 0.64 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2krr h GLU 109 CO -0.46 -0.30 -0.08 -0.07 -1.16 0.00 0.00 179.01 176.94 2krr h LEU 110 N -0.47 0.00 -0.44 1.33 3.38 -1.27 -1.08 115.31 116.76 2krr h LEU 110 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 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 -0.29 0.08 0.00 2.29 0.09 0.00 0.00 178.44 180.61 2krr n LYS 111 N -3.60 0.10 0.11 1.13 2.85 0.49 -2.27 118.16 116.97 2krr n LYS 111 Ca -0.02 0.38 0.10 0.00 -1.05 0.00 0.00 58.31 57.72 2krr n LYS 111 Cb 0.19 -1.71 0.45 0.00 -0.65 0.00 0.00 35.03 33.32 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 -1.90 0.14 -0.07 -1.58 1.02 -0.41 -0.09 120.64 117.74 2krr n GLU 112 Ca 0.02 0.47 -0.15 0.00 -0.02 0.00 0.00 57.16 57.48 2krr n GLU 112 Cb 0.17 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 29.72 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 -2.08 0.80 -1.47 2.62 0.24 -0.96 -4.68 118.33 112.80 2krr n VAL 113 Ca 0.01 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.34 61.80 2krr n VAL 113 Cb 0.14 -1.63 0.09 0.00 -1.47 0.00 0.00 33.84 30.97 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 -3.59 2.99 0.25 6.34 1.16 -1.21 -4.65 117.46 118.75 2krr n PHE 114 Ca -0.29 -2.66 0.16 0.00 -1.87 0.00 0.00 57.45 52.80 2krr n PHE 114 Cb 0.71 -1.11 0.85 0.00 -1.61 0.00 0.00 39.48 38.32 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 1.87 0.00 0.00 3.97 4.81 -0.77 0.15 114.58 124.61 2krr h GLU 115 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2krr h GLU 115 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2krr h GLU 115 CO 1.30 0.00 -0.96 -3.47 -0.73 0.00 0.00 179.01 175.15 2krr n ASP 116 N -2.62 0.64 -4.15 1.04 2.03 -1.26 -4.97 116.55 107.26 2krr n ASP 116 Ca -0.02 -0.31 -0.31 0.00 0.52 0.00 0.00 54.79 54.68 2krr n ASP 116 Cb 0.06 0.76 0.17 0.00 -0.72 0.00 0.00 41.12 41.39 2krr n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr n ALA 117 N -1.75 -3.85 0.24 -1.67 0.00 0.51 -4.95 120.51 109.05 2krr n ALA 117 Ca 0.03 -1.30 -0.10 0.00 0.00 0.00 0.00 53.44 52.07 2krr n ALA 117 Cb 0.41 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 2krr n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ALA 118 N -2.15 -0.82 -2.66 0.00 0.00 -1.86 -3.48 119.26 108.28 2krr h ALA 118 Ca -0.49 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 2krr h ALA 118 Cb 1.29 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 2krr h ALA 118 CO 0.34 -0.78 -0.38 -1.83 0.00 0.00 0.00 179.25 176.61 2krr s GLU 119 N -3.84 1.25 -0.01 0.00 -1.05 -0.69 -5.04 118.70 109.32 2krr s GLU 119 Ca -0.09 -1.35 0.02 0.00 -0.15 0.00 0.00 54.97 53.40 2krr s GLU 119 Cb 0.01 0.36 -0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2krr s GLU 119 CO 0.28 -0.46 -0.08 0.42 0.95 0.00 0.00 175.26 176.37 2krr s ILE 120 N -4.04 0.65 -0.21 1.83 1.01 -1.26 -2.45 121.20 116.72 2krr s ILE 120 Ca 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 2krr s ILE 120 Cb 0.04 -0.56 0.07 0.00 0.01 0.00 0.00 42.46 42.01 2krr s ILE 120 CO 0.06 0.19 0.06 -0.13 0.00 0.00 0.00 174.94 175.13 2krr s ARG 121 N -0.02 0.49 0.06 2.79 0.52 0.13 -4.97 118.95 117.94 2krr s ARG 121 Ca 0.01 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 54.63 2krr s ARG 121 Cb -0.05 -1.94 -0.06 0.00 0.52 0.00 0.00 34.95 33.41 2krr s ARG 121 CO -0.00 -0.73 0.46 -1.17 0.02 0.00 0.00 175.30 173.89 2krr s LEU 122 N 1.91 4.44 -0.42 2.53 2.96 -1.26 0.22 118.68 129.06 2krr s LEU 122 Ca 0.02 1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.79 2krr s LEU 122 Cb -0.17 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.70 2krr s LEU 122 CO -0.13 0.25 0.33 -0.69 -1.32 0.00 0.00 176.35 174.79 2krr s VAL 123 N -1.22 5.22 -0.02 1.68 1.01 -1.04 -4.93 120.40 121.12 2krr s VAL 123 Ca 0.29 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 2krr s VAL 123 Cb -0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2krr s VAL 123 CO 0.16 -0.35 0.10 -0.94 0.00 0.00 0.00 175.10 174.07 2krr s SER 124 N 1.76 -0.01 0.01 3.32 1.04 -1.26 -1.87 113.70 116.69 2krr s SER 124 Ca 0.06 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.47 2krr s SER 124 Cb -0.19 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 2krr s SER 124 CO 0.11 -0.21 -0.08 -0.75 0.98 0.00 0.00 173.24 173.29 2krr s LYS 125 N -0.73 0.60 -1.54 4.02 2.36 0.87 -4.78 119.74 120.54 2krr s LYS 125 Ca -0.08 -0.45 0.00 0.00 -2.55 0.00 0.00 55.97 52.89 2krr s LYS 125 Cb -0.05 -0.54 0.00 0.00 -1.05 0.00 0.00 37.83 36.19 2krr s LYS 125 CO 0.00 0.14 0.00 -3.47 1.55 0.00 0.00 175.35 173.57 2krr n ASP 126 N 2.40 -5.02 -0.08 1.43 2.03 -1.26 -1.44 116.55 114.61 2krr n ASP 126 Ca -0.16 0.08 -0.01 0.00 0.52 0.00 0.00 54.79 55.22 2krr n ASP 126 Cb 0.56 -4.10 -0.00 0.00 -0.72 0.00 0.00 41.12 36.86 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 -0.99 0.46 3.24 0.27 0.00 -1.26 -5.01 105.19 101.89 2krr n GLY 127 Ca -0.19 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.89 1.22 0.53 1.61 -0.14 -0.52 -5.11 119.74 116.44 2krr s LYS 128 Ca 0.00 -0.96 -0.20 0.00 -1.36 0.00 0.00 55.97 53.46 2krr s LYS 128 Cb 0.00 -1.34 -0.06 0.00 -1.68 0.00 0.00 37.83 34.74 2krr s LYS 128 CO 0.00 0.33 1.11 0.45 -0.76 0.00 0.00 175.35 176.48 2krr s SER 129 N -1.36 5.85 0.04 2.83 0.15 -0.69 -0.09 113.70 120.43 2krr s SER 129 Ca 0.06 2.12 0.22 0.00 0.70 0.00 0.00 55.95 59.05 2krr s SER 129 Cb -0.09 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.50 2krr s SER 129 CO 0.02 -1.13 0.79 0.29 1.20 0.00 0.00 173.24 174.42 2krr n LYS 130 N -1.23 0.47 0.00 5.44 4.76 -0.78 -4.76 118.16 122.06 2krr n LYS 130 Ca 0.11 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2krr n LYS 130 Cb 0.51 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.30 1.26 3.23 0.72 0.00 -1.26 -5.01 105.19 105.43 2krr n GLY 131 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.13 -0.30 -0.61 -0.00 -1.26 -4.10 121.20 113.06 2krr s ILE 132 Ca 0.00 -1.21 -0.07 0.00 -0.00 0.00 0.00 60.65 59.37 2krr s ILE 132 Cb 0.00 -1.43 0.15 0.00 -0.00 0.00 0.00 42.46 41.18 2krr s ILE 132 CO 0.00 -0.59 0.63 0.00 -0.00 0.00 0.00 174.94 174.98 2krr s ALA 133 N -3.88 -2.09 0.19 2.27 0.00 -1.15 -2.49 121.76 114.60 2krr s ALA 133 Ca 0.07 2.17 -0.14 0.00 0.00 0.00 0.00 51.96 54.06 2krr s ALA 133 Cb 0.05 -1.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 2krr s ALA 133 CO -0.09 -1.05 0.59 0.71 0.00 0.00 0.00 175.76 175.92 2krr s TYR 134 N 2.88 3.56 -0.05 0.00 2.02 0.13 0.01 117.35 125.90 2krr s TYR 134 Ca 0.02 1.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.82 2krr s TYR 134 Cb -0.13 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 39.05 2krr s TYR 134 CO -0.19 0.36 -0.05 0.96 -1.57 0.00 0.00 175.55 175.05 2krr s ILE 135 N -1.58 0.61 -0.51 2.71 -0.00 -0.51 0.18 121.20 122.10 2krr s ILE 135 Ca 0.42 -0.14 -0.19 0.00 -0.00 0.00 0.00 60.65 60.74 2krr s ILE 135 Cb -0.14 -0.64 0.06 0.00 -0.00 0.00 0.00 42.46 41.74 2krr s ILE 135 CO 0.20 0.25 0.62 -1.61 -0.00 0.00 0.00 174.94 174.40 2krr s GLU 136 N 1.06 3.12 0.84 0.37 0.41 -1.03 -2.31 118.70 121.16 2krr s GLU 136 Ca -0.09 -0.91 -0.13 0.00 -0.41 0.00 0.00 54.97 53.44 2krr s GLU 136 Cb -0.14 -4.10 0.10 0.00 -1.78 0.00 0.00 34.13 28.21 2krr s GLU 136 CO -0.01 -1.22 1.21 -0.06 -0.49 0.00 0.00 175.26 174.69 2krr s PHE 137 N 2.60 2.67 0.02 1.61 0.40 -1.26 -1.70 117.98 122.32 2krr s PHE 137 Ca 0.15 0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 56.97 2krr s PHE 137 Cb -0.19 -3.63 -0.33 0.00 0.51 0.00 0.00 43.02 39.38 2krr s PHE 137 CO 0.12 -1.96 1.01 0.87 0.70 0.00 0.00 175.22 175.96 2krr h LYS 138 N -1.18 0.53 -3.81 0.44 6.56 -1.94 -3.42 116.57 113.76 2krr h LYS 138 Ca -0.46 -0.84 -0.19 0.00 -1.06 0.00 0.00 60.65 58.11 2krr h LYS 138 Cb 1.31 0.30 -0.23 0.00 -0.57 0.00 0.00 32.23 33.04 2krr h LYS 138 CO 0.60 1.40 -0.67 -0.08 -2.06 0.00 0.00 179.45 178.64 2krr s THR 139 N -2.68 0.07 0.62 -0.16 -1.32 -1.26 -4.73 115.64 106.17 2krr s THR 139 Ca -0.10 -0.54 0.30 0.00 -1.21 0.00 0.00 61.69 60.13 2krr s THR 139 Cb 0.04 -0.20 0.35 0.00 -1.51 0.00 0.00 72.50 71.18 2krr s THR 139 CO 0.93 -0.30 1.96 -0.33 -2.21 0.00 0.00 174.62 174.67 2krr h GLU 140 N 5.16 0.00 -0.03 7.08 5.08 -1.89 -0.52 114.58 129.47 2krr h GLU 140 Ca -0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2krr h GLU 140 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2krr h GLU 140 CO 0.44 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 178.25 2krr h ALA 141 N 1.50 0.06 -0.32 3.43 0.00 -1.95 -0.88 119.26 121.09 2krr h ALA 141 Ca 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2krr h ALA 141 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2krr h ALA 141 CO -0.00 0.05 -0.11 -0.44 0.00 0.00 0.00 179.25 178.75 2krr h ASP 142 N -0.42 0.53 0.16 0.00 3.32 -1.55 -0.29 116.42 118.16 2krr h ASP 142 Ca -0.02 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2krr h ASP 142 Cb 0.89 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2krr h ASP 142 CO 0.04 0.67 -0.08 0.00 -1.72 0.00 0.00 179.24 178.16 2krr h ALA 143 N 1.39 -0.21 0.00 3.45 0.00 -1.33 0.29 119.26 122.85 2krr h ALA 143 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2krr h ALA 143 Cb 0.49 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2krr h ALA 143 CO 0.03 -0.28 -0.03 1.05 0.00 0.00 0.00 179.25 180.01 2krr h GLU 144 N -0.89 0.00 0.00 0.00 4.11 -1.16 -2.37 114.58 114.28 2krr h GLU 144 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.34 2krr h GLU 144 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2krr h GLU 144 CO 0.04 0.03 -0.54 -0.22 0.07 0.00 0.00 179.01 178.39 2krr h LYS 145 N 0.00 0.00 -1.23 1.06 3.64 -1.07 -3.36 116.57 115.62 2krr h LYS 145 Ca -0.00 0.00 0.36 0.00 -1.27 0.00 0.00 60.65 59.74 2krr h LYS 145 Cb 0.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2krr h LYS 145 CO 0.00 0.45 0.90 1.15 -2.27 0.00 0.00 179.45 179.68 2krr h THR 146 N -1.00 0.36 -0.04 1.00 2.02 -0.30 0.42 112.91 115.37 2krr h THR 146 Ca -0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.10 2krr h THR 146 Cb 0.71 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2krr h THR 146 CO -0.06 0.00 -0.36 0.15 0.37 0.00 0.00 175.52 175.62 2krr h PHE 147 N 0.00 -1.06 0.00 3.16 3.57 -1.57 0.18 116.94 121.22 2krr h PHE 147 Ca 0.58 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.12 2krr h PHE 147 Cb 2.38 0.47 0.00 0.00 2.79 0.00 0.00 35.95 41.59 2krr h PHE 147 CO 0.00 -0.37 -0.19 1.05 -2.23 0.00 0.00 178.31 176.57 2krr h GLU 148 N -0.42 0.00 0.00 1.11 4.11 -1.53 0.18 114.58 118.02 2krr h GLU 148 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 2krr h GLU 148 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2krr h GLU 148 CO -0.26 0.00 -0.00 0.93 0.07 0.00 0.00 179.01 179.74 2krr h GLU 149 N 0.00 0.00 0.00 1.06 5.08 -0.40 -3.29 114.58 117.04 2krr h GLU 149 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2krr h GLU 149 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2krr h GLU 149 CO 0.00 0.00 -0.93 1.63 -1.00 0.00 0.00 179.01 178.71 2krr n LYS 150 N -3.10 1.89 -1.52 2.33 4.76 0.59 -5.00 118.16 118.12 2krr n LYS 150 Ca 0.01 0.00 -0.52 0.00 -2.87 0.00 0.00 58.31 54.94 2krr n LYS 150 Cb 0.36 -0.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.53 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 -1.62 0.56 0.00 1.97 -0.06 0.62 -3.27 117.38 115.59 2krr n GLN 151 Ca 0.00 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 2krr n GLN 151 Cb 0.21 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 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 1.87 0.97 3.82 1.69 0.00 -1.26 -4.95 105.19 107.32 2krr n GLY 152 Ca 0.17 0.00 -0.30 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 3.32 -0.08 2.61 -1.32 -1.20 -4.99 115.64 111.97 2krr s THR 153 Ca 0.00 0.43 0.03 0.00 -1.21 0.00 0.00 61.69 60.94 2krr s THR 153 Cb 0.00 -3.21 0.01 0.00 -1.51 0.00 0.00 72.50 67.78 2krr s THR 153 CO 0.00 -0.56 -0.18 -1.61 -2.21 0.00 0.00 174.62 170.06 2krr s GLU 154 N -5.17 2.41 -0.04 7.08 2.02 -1.26 -3.17 118.70 120.57 2krr s GLU 154 Ca 0.60 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.94 2krr s GLU 154 Cb -0.14 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.24 2krr s GLU 154 CO 0.54 0.10 -0.03 0.42 0.02 0.00 0.00 175.26 176.31 2krr s ILE 155 N 0.50 0.44 -1.56 -1.63 1.09 0.13 -4.77 121.20 115.40 2krr s ILE 155 Ca -0.17 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 2krr s ILE 155 Cb -0.17 -0.49 0.00 0.00 -1.06 0.00 0.00 42.46 40.74 2krr s ILE 155 CO 0.06 0.21 0.00 -0.67 -0.10 0.00 0.00 174.94 174.44 2krr n ASP 156 N 4.08 -4.88 0.00 3.58 2.03 -1.26 -1.94 116.55 118.16 2krr n ASP 156 Ca -0.25 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2krr n ASP 156 Cb 0.51 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 37.23 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 -1.03 3.05 3.98 0.27 0.00 -1.26 -5.03 105.19 105.17 2krr n GLY 157 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.22 2.67 -0.35 1.61 1.70 -0.82 -5.05 118.95 118.49 2krr s ARG 158 Ca 0.00 -0.87 -0.12 0.00 -0.47 0.00 0.00 55.73 54.27 2krr s ARG 158 Cb 0.00 -2.57 0.00 0.00 -0.57 0.00 0.00 34.95 31.82 2krr s ARG 158 CO 0.00 -0.55 0.21 -1.12 -1.08 0.00 0.00 175.30 172.76 2krr s SER 159 N -4.38 5.83 0.28 -2.89 0.01 -1.26 0.18 113.70 111.46 2krr s SER 159 Ca 0.56 -0.65 -0.21 0.00 1.31 0.00 0.00 55.95 56.95 2krr s SER 159 Cb -0.10 -2.07 -0.09 0.00 0.21 0.00 0.00 66.02 63.97 2krr s SER 159 CO 0.37 -0.29 0.81 0.27 0.41 0.00 0.00 173.24 174.81 2krr s ILE 160 N 1.64 4.46 0.14 1.44 -4.36 -1.19 -4.90 121.20 118.44 2krr s ILE 160 Ca 0.05 1.42 0.10 0.00 -0.26 0.00 0.00 60.65 61.95 2krr s ILE 160 Cb -0.18 -3.85 -0.04 0.00 1.25 0.00 0.00 42.46 39.64 2krr s ILE 160 CO 0.08 0.09 -0.23 -0.44 0.24 0.00 0.00 174.94 174.68 2krr s SER 161 N -1.77 3.02 0.20 4.36 0.01 -1.10 -4.40 113.70 114.03 2krr s SER 161 Ca 0.48 -0.78 0.08 0.00 1.31 0.00 0.00 55.95 57.04 2krr s SER 161 Cb -0.16 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2krr s SER 161 CO 0.21 0.09 -0.02 -0.76 0.41 0.00 0.00 173.24 173.17 2krr s LEU 162 N -2.27 3.22 0.28 2.44 1.02 -1.26 -1.84 118.68 120.26 2krr s LEU 162 Ca 0.14 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 53.79 2krr s LEU 162 Cb -0.09 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 2krr s LEU 162 CO 0.07 0.07 0.29 -0.31 0.02 0.00 0.00 176.35 176.49 2krr s TYR 163 N -1.88 1.21 -0.30 0.29 1.51 0.48 -4.95 117.35 113.71 2krr s TYR 163 Ca 0.28 -1.36 -0.00 0.00 -1.01 0.00 0.00 57.07 54.98 2krr s TYR 163 Cb -0.08 -0.41 0.10 0.00 -0.11 0.00 0.00 41.96 41.45 2krr s TYR 163 CO 0.18 -0.86 0.08 1.52 -1.11 0.00 0.00 175.55 175.36 2krr s TYR 164 N -3.69 2.00 0.00 2.71 -0.85 -1.26 -0.07 117.35 116.18 2krr s TYR 164 Ca 0.36 -1.87 0.00 0.00 -0.52 0.00 0.00 57.07 55.04 2krr s TYR 164 Cb 0.03 -1.84 0.00 0.00 0.38 0.00 0.00 41.96 40.53 2krr s TYR 164 CO 0.18 -0.87 0.16 -2.37 -1.52 0.00 0.00 175.55 171.13 2krr n THR 165 N 4.76 0.00 -3.72 -3.49 5.66 -1.15 -4.99 114.28 111.35 2krr n THR 165 Ca -0.02 -0.46 -0.30 0.00 -3.05 0.00 0.00 64.05 60.22 2krr n THR 165 Cb 0.42 1.03 0.03 0.00 -1.55 0.00 0.00 70.33 70.26 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 0.61 -1.05 3.40 1.09 0.00 -0.61 -4.87 105.19 103.76 2krr n GLY 166 Ca 0.00 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2krr n GLY 166 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2krr n GLU 167 N -3.80 0.02 -1.22 1.61 0.28 -1.26 -4.76 120.64 111.51 2krr n GLU 167 Ca -0.13 0.05 -0.30 0.00 -0.16 0.00 0.00 57.16 56.62 2krr n GLU 167 Cb 0.60 -1.76 0.12 0.00 1.43 0.00 0.00 31.44 31.82 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2krr s PRO 168 N -3.04 1.66 -0.00 3.44 0.04 -1.26 -4.87 135.00 130.97 2krr s PRO 168 Ca 0.60 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.64 2krr s PRO 168 Cb -0.28 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2krr s PRO 168 CO 0.64 -2.00 0.10 1.63 0.04 0.00 0.00 177.00 177.40 2krr n LYS 169 N -3.74 0.94 -1.38 4.56 4.01 -1.26 -5.01 118.16 116.29 2krr n LYS 169 Ca 0.08 -0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.74 2krr n LYS 169 Cb 0.54 -1.03 -0.04 0.00 -0.51 0.00 0.00 35.03 33.99 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 2.11 1.08 0.21 0.72 0.00 -1.26 -4.91 105.19 103.14 2krr n GLY 170 Ca -0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.71 0.00 1.61 -0.00 -2.03 -3.41 114.58 111.46 2krr h GLU 171 Ca -0.22 -0.42 -0.02 0.00 -0.00 0.00 0.00 59.36 58.71 2krr h GLU 171 Cb 0.72 0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.48 2krr h GLU 171 CO 0.31 1.04 -0.16 0.41 -0.00 0.00 0.00 179.01 180.61 2krr n GLY 172 N 0.29 0.85 0.14 1.06 0.00 -1.26 -4.96 105.19 101.31 2krr n GLY 172 Ca -0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.03 -0.20 0.00 0.99 3.38 -1.97 -3.54 115.31 114.00 2krr h LEU 173 Ca -0.06 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2krr h LEU 173 Cb 1.14 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2krr h LEU 173 CO -0.03 0.30 0.00 -1.84 0.09 0.00 0.00 178.44 176.96