#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 1.33 0.09 2.61 2.01 -1.26 -5.03 115.64 115.39 2krr s THR 2 Ca 0.00 -1.22 -0.34 0.00 0.31 0.00 0.00 61.69 60.44 2krr s THR 2 Cb 0.00 -1.72 -0.16 0.00 0.01 0.00 0.00 72.50 70.64 2krr s THR 2 CO 0.00 -0.23 1.53 -0.33 -0.69 0.00 0.00 174.62 174.90 2krr h GLU 3 N 7.99 -0.84 -7.31 4.92 5.08 -2.05 -3.43 114.58 118.95 2krr h GLU 3 Ca -0.16 0.06 -0.51 0.00 -1.00 0.00 0.00 59.36 57.74 2krr h GLU 3 Cb 1.07 0.19 0.13 0.00 0.50 0.00 0.00 28.75 30.64 2krr h GLU 3 CO 0.41 -0.56 0.32 -1.25 -1.00 0.00 0.00 179.01 176.94 2krr s PRO 4 N -5.69 2.29 -0.16 2.33 0.04 -1.26 -5.00 135.00 127.56 2krr s PRO 4 Ca -0.16 1.18 0.12 0.00 0.04 0.00 0.00 61.00 62.17 2krr s PRO 4 Cb 0.05 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 2krr s PRO 4 CO 0.58 -1.62 0.02 -2.37 0.04 0.00 0.00 177.00 173.64 2krr n THR 5 N -3.45 1.07 -4.21 1.26 5.66 -1.26 -5.02 114.28 108.32 2krr n THR 5 Ca 0.09 -0.62 -0.25 0.00 -3.05 0.00 0.00 64.05 60.23 2krr n THR 5 Cb 0.53 -0.69 -0.08 0.00 -1.55 0.00 0.00 70.33 68.54 2krr n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2krr s THR 6 N -2.38 2.52 -1.34 1.09 -4.23 -1.26 -5.03 115.64 105.02 2krr s THR 6 Ca -0.11 -1.80 0.27 0.00 -1.18 0.00 0.00 61.69 58.87 2krr s THR 6 Cb 0.05 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 71.17 2krr s THR 6 CO 0.60 -0.10 1.63 0.00 -0.54 0.00 0.00 174.62 176.22 2krr n ALA 7 N -1.12 3.07 -2.51 3.99 0.00 -1.26 -4.75 120.51 117.93 2krr n ALA 7 Ca -0.03 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2krr n ALA 7 Cb 0.63 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 2krr n ALA 7 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2krr s PHE 8 N -2.75 3.17 0.01 0.00 0.40 -1.26 -5.04 117.98 112.51 2krr s PHE 8 Ca 0.19 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 2krr s PHE 8 Cb 0.19 -2.89 0.02 0.00 0.51 0.00 0.00 43.02 40.85 2krr s PHE 8 CO 0.58 -0.64 0.31 -0.80 0.70 0.00 0.00 175.22 175.36 2krr s ASN 9 N 1.80 -0.16 0.04 1.36 -0.87 -1.26 -1.22 114.94 114.63 2krr s ASN 9 Ca 0.14 -0.04 0.05 0.00 -1.57 0.00 0.00 52.86 51.44 2krr s ASN 9 Cb -0.17 0.33 -0.02 0.00 -0.02 0.00 0.00 41.25 41.38 2krr s ASN 9 CO 0.14 -0.52 -0.15 -1.48 -2.57 0.00 0.00 177.10 172.51 2krr s LEU 10 N -1.67 2.17 -0.43 0.60 0.05 -0.57 -4.82 118.68 114.00 2krr s LEU 10 Ca -0.10 -0.46 -0.29 0.00 0.05 0.00 0.00 54.13 53.33 2krr s LEU 10 Cb -0.03 -0.65 0.02 0.00 -2.05 0.00 0.00 46.19 43.48 2krr s LEU 10 CO 0.01 0.05 1.19 0.12 -0.55 0.00 0.00 176.35 177.17 2krr s PHE 11 N -0.84 2.78 0.15 3.48 2.19 0.83 -1.60 117.98 124.96 2krr s PHE 11 Ca 0.02 0.78 0.04 0.00 0.33 0.00 0.00 56.93 58.11 2krr s PHE 11 Cb -0.08 -4.29 -0.04 0.00 -1.31 0.00 0.00 43.02 37.31 2krr s PHE 11 CO 0.01 -1.36 0.15 0.14 1.83 0.00 0.00 175.22 176.00 2krr s VAL 12 N 4.52 4.65 0.36 3.12 -7.23 0.25 0.96 120.40 127.03 2krr s VAL 12 Ca 0.50 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2krr s VAL 12 Cb -0.09 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.49 2krr s VAL 12 CO 0.29 -0.06 0.47 -0.83 -0.31 0.00 0.00 175.10 174.66 2krr s GLY 13 N -3.00 1.64 -1.20 2.32 0.00 0.83 -0.58 107.32 107.33 2krr s GLY 13 Ca 0.31 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.37 2krr s GLY 13 CO 0.24 -1.05 0.80 -2.01 0.00 0.00 0.00 173.10 171.08 2krr n ASN 14 N -1.55 -3.43 -1.19 1.64 5.15 0.11 -0.04 115.26 115.95 2krr n ASN 14 Ca 0.02 -0.82 0.12 0.00 -0.60 0.00 0.00 54.58 53.29 2krr n ASN 14 Cb 0.61 -4.27 0.24 0.00 -0.53 0.00 0.00 39.78 35.84 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 -4.00 3.57 -1.19 1.20 4.77 -0.47 -2.97 117.00 117.91 2krr n LEU 15 Ca -0.20 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2krr n LEU 15 Cb 0.64 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2krr n LEU 15 CO 0.65 0.81 -0.33 -3.20 -1.33 0.00 0.00 177.39 173.99 2krr n ASN 16 N 1.51 -6.71 -3.57 -1.43 5.15 -1.26 -4.88 115.26 104.07 2krr n ASN 16 Ca 0.20 0.91 -0.30 0.00 -0.60 0.00 0.00 54.58 54.80 2krr n ASN 16 Cb 0.60 -3.21 -0.07 0.00 -0.53 0.00 0.00 39.78 36.58 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 -0.60 3.44 0.00 1.20 -1.74 -1.22 -4.47 117.46 114.08 2krr n PHE 17 Ca 0.00 -3.93 0.00 0.00 -0.56 0.00 0.00 57.45 52.96 2krr n PHE 17 Cb 0.00 -0.69 0.00 0.00 1.52 0.00 0.00 39.48 40.31 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 1.05 3.28 -2.15 5.98 3.02 -1.26 -5.04 115.26 120.14 2krr n ASN 18 Ca 0.28 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 2krr n ASN 18 Cb 0.39 0.14 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 2krr n ASN 18 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2krr n LYS 19 N -2.03 0.57 -1.49 3.52 3.00 -1.26 -5.10 118.16 115.38 2krr n LYS 19 Ca 0.00 -0.16 -0.29 0.00 -0.00 0.00 0.00 58.31 57.86 2krr n LYS 19 Cb 0.38 -0.04 0.17 0.00 0.00 0.00 0.00 35.03 35.54 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2krr s SER 20 N -1.23 2.72 0.01 3.14 0.01 -1.26 -4.95 113.70 112.14 2krr s SER 20 Ca 0.04 0.73 -0.27 0.00 1.31 0.00 0.00 55.95 57.76 2krr s SER 20 Cb -0.00 -1.11 -0.15 0.00 0.21 0.00 0.00 66.02 64.97 2krr s SER 20 CO 0.03 -3.02 1.11 0.00 0.41 0.00 0.00 173.24 171.77 2krr h ALA 21 N -1.83 -0.97 0.00 1.44 0.00 -1.99 -3.06 119.26 112.86 2krr h ALA 21 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2krr h ALA 21 Cb 1.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2krr h ALA 21 CO 0.49 -0.90 0.00 -0.35 0.00 0.00 0.00 179.25 178.49 2krr n PRO 22 N -5.37 0.15 0.15 0.00 -0.04 -1.26 -2.18 135.00 126.45 2krr n PRO 22 Ca -0.12 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2krr n PRO 22 Cb 0.38 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.15 0.54 4.39 -1.91 -3.31 114.58 114.44 2krr h GLU 23 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 2krr h GLU 23 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2krr h GLU 23 CO 0.00 0.00 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.25 2krr h LEU 24 N 0.00 0.49 -1.32 1.33 3.38 -1.41 -3.32 115.31 114.47 2krr h LEU 24 Ca 0.00 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.47 2krr h LEU 24 Cb 0.92 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2krr h LEU 24 CO 0.00 1.53 0.57 0.11 0.09 0.00 0.00 178.44 180.74 2krr h LYS 25 N 0.09 0.64 0.79 1.13 1.57 -1.66 -1.50 116.57 117.61 2krr h LYS 25 Ca -0.25 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 2krr h LYS 25 Cb 2.05 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 34.22 2krr h LYS 25 CO 0.18 0.42 -0.39 1.15 -0.57 0.00 0.00 179.45 180.25 2krr h THR 26 N 0.66 0.00 -0.62 -0.16 2.02 -1.70 -1.38 112.91 111.73 2krr h THR 26 Ca 0.44 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.72 2krr h THR 26 Cb 0.75 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 2krr h THR 26 CO -0.20 0.00 0.23 1.23 0.37 0.00 0.00 175.52 177.15 2krr h GLY 27 N -1.07 0.86 0.48 2.16 0.00 -1.61 0.29 103.07 104.18 2krr h GLY 27 Ca -0.11 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.15 2krr h GLY 27 CO 0.17 -0.03 -0.10 -2.22 0.00 0.00 0.00 176.54 174.36 2krr h ILE 28 N 0.40 0.68 0.00 2.60 2.04 -1.23 -0.42 117.51 121.59 2krr h ILE 28 Ca 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 2krr h ILE 28 Cb 0.40 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2krr h ILE 28 CO -0.32 0.00 -0.00 0.28 0.00 0.00 0.00 178.15 178.11 2krr h SER 29 N -0.08 0.00 0.40 1.72 0.02 -0.65 -3.19 113.55 111.77 2krr h SER 29 Ca 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2krr h SER 29 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2krr h SER 29 CO -0.25 0.00 -0.19 -0.78 -1.14 0.00 0.00 176.83 174.47 2krr h ASP 30 N 0.00 -0.45 -1.00 3.07 3.58 0.11 -2.41 116.42 119.32 2krr h ASP 30 Ca -0.00 -0.07 0.22 0.00 0.42 0.00 0.00 57.03 57.60 2krr h ASP 30 Cb 0.63 0.12 -0.10 0.00 1.72 0.00 0.00 39.33 41.69 2krr h ASP 30 CO 0.00 -0.01 0.63 1.62 -2.88 0.00 0.00 179.24 178.60 2krr h VAL 31 N -1.07 0.62 -0.24 2.25 3.04 -1.22 0.27 116.25 119.90 2krr h VAL 31 Ca -0.05 -0.19 -0.12 0.00 -1.01 0.00 0.00 66.70 65.32 2krr h VAL 31 Cb 0.49 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 2krr h VAL 31 CO 0.09 0.10 -0.35 -0.26 -1.01 0.00 0.00 177.57 176.15 2krr h PHE 32 N 0.57 0.60 0.00 3.17 0.04 -1.58 -2.74 116.94 116.99 2krr h PHE 32 Ca 0.58 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 61.18 2krr h PHE 32 Cb 1.18 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.19 2krr h PHE 32 CO -0.00 0.79 -0.04 0.00 -0.60 0.00 0.00 178.31 178.46 2krr h ALA 33 N 1.19 1.73 0.00 2.45 0.00 0.06 0.12 119.26 124.82 2krr h ALA 33 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2krr h ALA 33 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2krr h ALA 33 CO 0.07 0.05 -0.18 1.57 0.00 0.00 0.00 179.25 180.76 2krr h LYS 34 N 0.00 0.00 -0.85 0.00 2.10 -1.21 -3.16 116.57 113.45 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 0.08 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.26 2krr h LYS 34 CO 0.01 0.18 0.31 0.09 -2.00 0.00 0.00 179.45 178.04 2krr n ASN 35 N -3.16 4.21 -2.23 7.07 3.02 -0.22 -4.87 115.26 119.08 2krr n ASN 35 Ca 0.03 -3.10 -0.20 0.00 -0.03 0.00 0.00 54.58 51.28 2krr n ASN 35 Cb 0.58 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.27 -5.73 -4.52 6.41 8.00 -1.19 -4.97 116.55 114.28 2krr n ASP 36 Ca 0.38 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.65 2krr n ASP 36 Cb 1.30 -4.83 -0.12 0.00 -0.02 0.00 0.00 41.12 37.45 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 -5.74 3.38 -0.31 0.64 1.43 -0.14 -5.02 118.68 112.92 2krr s LEU 37 Ca 0.00 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 2krr s LEU 37 Cb 0.00 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.41 2krr s LEU 37 CO 0.00 0.15 0.07 0.00 0.23 0.00 0.00 176.35 176.80 2krr s ALA 38 N 0.48 3.00 0.05 4.21 0.00 -1.26 -3.24 121.76 124.99 2krr s ALA 38 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 2krr s ALA 38 Cb -0.14 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 2krr s ALA 38 CO 0.02 -1.08 0.43 0.14 0.00 0.00 0.00 175.76 175.27 2krr s VAL 39 N 1.43 5.02 -0.03 0.00 -7.23 -1.26 -3.42 120.40 114.90 2krr s VAL 39 Ca 0.00 0.73 0.12 0.00 -1.81 0.00 0.00 61.98 61.02 2krr s VAL 39 Cb -0.18 -3.70 -0.22 0.00 0.56 0.00 0.00 36.38 32.84 2krr s VAL 39 CO 0.02 0.44 0.75 -0.37 -0.31 0.00 0.00 175.10 175.63 2krr h VAL 40 N 3.32 0.92 -2.27 1.32 -1.51 -1.30 -3.47 116.25 113.25 2krr h VAL 40 Ca -0.50 -2.73 0.10 0.00 -1.23 0.00 0.00 66.70 62.33 2krr h VAL 40 Cb 1.21 2.44 -0.16 0.00 -2.13 0.00 0.00 31.29 32.65 2krr h VAL 40 CO 0.64 0.52 0.48 -0.62 -1.23 0.00 0.00 177.57 177.36 2krr s ASP 41 N -6.14 -0.38 -0.03 4.19 2.15 -1.19 -4.96 116.67 110.31 2krr s ASP 41 Ca -0.04 0.03 -0.02 0.00 0.43 0.00 0.00 52.55 52.95 2krr s ASP 41 Cb 0.08 0.39 0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2krr s ASP 41 CO 0.82 -0.62 0.06 -0.69 -0.17 0.00 0.00 175.17 174.57 2krr s VAL 42 N -3.02 -0.01 0.06 1.11 1.01 -1.26 -0.11 120.40 118.19 2krr s VAL 42 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2krr s VAL 42 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 2krr s VAL 42 CO -0.08 0.01 -0.22 -0.60 0.00 0.00 0.00 175.10 174.21 2krr s ARG 43 N 0.18 1.36 -0.03 2.72 3.52 0.68 -4.95 118.95 122.43 2krr s ARG 43 Ca -0.01 -1.04 0.04 0.00 -0.13 0.00 0.00 55.73 54.59 2krr s ARG 43 Cb -0.02 -1.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.82 2krr s ARG 43 CO -0.01 0.38 -0.16 0.42 -0.81 0.00 0.00 175.30 175.13 2krr s ILE 44 N -0.91 1.33 0.51 4.11 1.09 -1.26 0.04 121.20 126.11 2krr s ILE 44 Ca 0.08 -0.68 -0.09 0.00 -1.10 0.00 0.00 60.65 58.86 2krr s ILE 44 Cb -0.09 -1.14 0.13 0.00 -1.06 0.00 0.00 42.46 40.30 2krr s ILE 44 CO 0.03 0.38 0.33 0.61 -0.10 0.00 0.00 174.94 176.19 2krr n GLY 45 N 3.01 -3.52 0.06 6.18 0.00 0.96 -4.89 105.19 107.00 2krr n GLY 45 Ca -0.17 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 0.00 1.61 -0.00 -2.01 -3.18 114.93 111.35 2krr h MET 46 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2krr h MET 46 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2krr h MET 46 CO 0.09 0.97 0.00 -2.37 -0.00 0.00 0.00 176.91 175.59 2krr n THR 47 N -3.34 0.12 -1.59 -0.10 5.66 -1.26 -4.88 114.28 108.89 2krr n THR 47 Ca -0.00 0.03 -0.20 0.00 -3.05 0.00 0.00 64.05 60.83 2krr n THR 47 Cb 0.93 -0.57 -0.08 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.45 -1.44 -0.00 1.09 3.00 -1.20 -4.66 116.66 112.00 2krr n ARG 48 Ca 0.08 1.15 0.07 0.00 -0.01 0.00 0.00 57.85 59.15 2krr n ARG 48 Cb 0.29 -5.52 -0.09 0.00 0.00 0.00 0.00 32.46 27.14 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 -2.31 1.63 -3.93 5.56 4.81 -1.26 -3.40 118.16 119.25 2krr n LYS 49 Ca -0.20 -0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.09 2krr n LYS 49 Cb 0.64 -1.25 -0.01 0.00 0.02 0.00 0.00 35.03 34.44 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 -2.59 0.52 -1.14 5.64 -0.71 -1.26 0.06 117.98 118.50 2krr s PHE 50 Ca 0.02 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 54.92 2krr s PHE 50 Cb 0.11 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 2krr s PHE 50 CO 0.62 -1.37 0.00 0.41 -1.34 0.00 0.00 175.22 173.54 2krr n GLY 51 N -0.54 -0.69 2.98 1.99 0.00 0.25 -0.02 105.19 109.16 2krr n GLY 51 Ca -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.72 0.29 -0.15 1.61 1.51 0.11 -0.59 117.35 116.42 2krr s TYR 52 Ca 0.00 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 2krr s TYR 52 Cb 0.00 -0.20 0.02 0.00 -0.11 0.00 0.00 41.96 41.67 2krr s TYR 52 CO 0.00 -0.16 -0.15 0.08 -1.11 0.00 0.00 175.55 174.21 2krr s VAL 53 N -1.32 1.61 -0.11 0.71 1.01 -0.63 -0.23 120.40 121.45 2krr s VAL 53 Ca -0.14 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 2krr s VAL 53 Cb -0.09 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2krr s VAL 53 CO -0.01 0.46 0.38 -1.81 0.00 0.00 0.00 175.10 174.13 2krr s ASP 54 N 1.40 6.61 0.13 3.32 1.11 0.85 -1.51 116.67 128.57 2krr s ASP 54 Ca 0.03 0.73 0.08 0.00 0.18 0.00 0.00 52.55 53.57 2krr s ASP 54 Cb -0.13 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 2krr s ASP 54 CO -0.10 0.13 -0.11 -0.36 1.18 0.00 0.00 175.17 175.91 2krr s PHE 55 N 0.12 2.67 0.23 4.23 0.40 -0.36 -0.89 117.98 124.38 2krr s PHE 55 Ca 0.22 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2krr s PHE 55 Cb -0.15 -1.37 0.37 0.00 0.51 0.00 0.00 43.02 42.39 2krr s PHE 55 CO 0.08 0.45 1.75 0.93 0.70 0.00 0.00 175.22 179.13 2krr h GLU 56 N 3.38 0.48 -4.24 0.44 5.08 -1.88 -3.41 114.58 114.44 2krr h GLU 56 Ca -0.48 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 2krr h GLU 56 Cb 1.18 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 2krr h GLU 56 CO 0.52 0.32 -0.51 -1.12 -1.00 0.00 0.00 179.01 177.21 2krr s SER 57 N -5.41 0.18 0.62 1.42 0.01 -1.26 -4.93 113.70 104.32 2krr s SER 57 Ca -0.13 -1.11 0.33 0.00 1.31 0.00 0.00 55.95 56.35 2krr s SER 57 Cb 0.19 0.37 1.84 0.00 0.21 0.00 0.00 66.02 68.63 2krr s SER 57 CO 0.76 -0.82 2.15 0.00 0.41 0.00 0.00 173.24 175.74 2krr h ALA 58 N 2.69 1.53 0.74 1.44 0.00 -1.96 -2.45 119.26 121.25 2krr h ALA 58 Ca -0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2krr h ALA 58 Cb 1.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2krr h ALA 58 CO 0.53 -0.20 -0.35 0.93 0.00 0.00 0.00 179.25 180.16 2krr h GLU 59 N 0.00 -0.96 -0.34 0.00 5.08 -1.97 0.23 114.58 116.62 2krr h GLU 59 Ca 0.04 0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2krr h GLU 59 Cb 0.35 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2krr h GLU 59 CO -0.00 -0.63 -0.04 -0.44 -1.00 0.00 0.00 179.01 176.90 2krr h ASP 60 N -1.01 0.51 0.32 1.42 3.32 -1.84 0.20 116.42 119.34 2krr h ASP 60 Ca -0.10 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2krr h ASP 60 Cb 0.77 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2krr h ASP 60 CO 0.17 0.61 -0.16 0.25 -1.72 0.00 0.00 179.24 178.39 2krr h LEU 61 N 0.51 -0.37 -1.24 1.55 6.46 -1.28 -2.60 115.31 118.34 2krr h LEU 61 Ca 0.10 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 2krr h LEU 61 Cb 0.39 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2krr h LEU 61 CO 0.02 -0.05 -0.25 -0.33 -0.62 0.00 0.00 178.44 177.20 2krr h GLU 62 N -0.70 0.00 -0.26 1.25 5.08 -0.48 -3.10 114.58 116.38 2krr h GLU 62 Ca -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2krr h GLU 62 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2krr h GLU 62 CO 0.07 0.25 0.11 0.87 -1.00 0.00 0.00 179.01 179.31 2krr h LYS 63 N 0.00 0.38 -0.77 2.33 1.79 -0.48 -2.56 116.57 117.26 2krr h LYS 63 Ca -0.00 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.54 2krr h LYS 63 Cb 0.70 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.23 2krr h LYS 63 CO 0.03 0.40 0.51 0.00 -1.08 0.00 0.00 179.45 179.31 2krr h ALA 64 N 0.96 1.99 0.00 3.86 0.00 -1.38 0.30 119.26 125.00 2krr h ALA 64 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2krr h ALA 64 Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2krr h ALA 64 CO -0.01 -0.19 -0.12 -0.07 0.00 0.00 0.00 179.25 178.86 2krr h LEU 65 N 0.52 0.00 0.00 0.00 3.38 -1.54 -3.26 115.31 114.40 2krr h LEU 65 Ca 0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 2krr h LEU 65 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2krr h LEU 65 CO -0.13 0.12 -0.59 -0.33 0.09 0.00 0.00 178.44 177.60 2krr h GLU 66 N 0.00 0.00 -7.22 1.13 4.39 -0.23 -3.47 114.58 109.17 2krr h GLU 66 Ca -0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 2krr h GLU 66 Cb 0.67 0.00 0.20 0.00 -0.10 0.00 0.00 28.75 29.52 2krr h GLU 66 CO 0.02 0.76 0.03 -0.48 -1.16 0.00 0.00 179.01 178.18 2krr s LEU 67 N -8.11 0.18 0.24 1.33 0.05 -0.25 -5.08 118.68 107.04 2krr s LEU 67 Ca -0.20 0.93 -0.01 0.00 0.05 0.00 0.00 54.13 54.89 2krr s LEU 67 Cb 0.02 -2.64 -0.03 0.00 -2.05 0.00 0.00 46.19 41.49 2krr s LEU 67 CO 0.51 -4.47 0.22 0.28 -0.55 0.00 0.00 176.35 172.35 2krr s THR 68 N -2.65 0.00 0.00 5.48 -1.32 -1.26 -4.93 115.64 110.96 2krr s THR 68 Ca 0.69 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2krr s THR 68 Cb -0.15 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 2krr s THR 68 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2krr n GLY 69 N -0.36 0.88 3.40 6.08 0.00 -1.26 -5.06 105.19 108.87 2krr n GLY 69 Ca 0.02 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.73 4.83 0.03 0.99 1.43 -1.26 -5.05 118.68 118.91 2krr s LEU 70 Ca 0.00 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 52.01 2krr s LEU 70 Cb 0.00 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2krr s LEU 70 CO 0.00 -0.40 0.28 -1.59 0.23 0.00 0.00 176.35 174.87 2krr s LYS 71 N 1.59 0.75 -0.07 1.70 0.00 -1.26 -2.10 119.74 120.35 2krr s LYS 71 Ca 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 55.97 55.44 2krr s LYS 71 Cb -0.19 0.32 0.02 0.00 0.00 0.00 0.00 37.83 37.98 2krr s LYS 71 CO 0.08 -0.23 0.24 0.14 0.00 0.00 0.00 175.35 175.58 2krr s VAL 72 N -2.28 0.02 -2.08 1.79 -7.23 0.99 -4.78 120.40 106.84 2krr s VAL 72 Ca -0.07 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2krr s VAL 72 Cb -0.02 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.52 2krr s VAL 72 CO -0.02 -0.10 0.00 0.49 -0.31 0.00 0.00 175.10 175.17 2krr n PHE 73 N 2.48 -0.17 0.00 2.82 3.72 -1.26 -2.07 117.46 122.98 2krr n PHE 73 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2krr n PHE 73 Cb 0.58 -3.45 0.00 0.00 -0.94 0.00 0.00 39.48 35.67 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 -0.45 3.01 3.80 1.37 0.00 -1.26 -5.04 105.19 106.62 2krr n GLY 74 Ca -0.21 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 5.54 -0.32 1.61 0.01 -0.88 -5.02 114.94 115.89 2krr s ASN 75 Ca 0.00 1.82 -0.12 0.00 -0.71 0.00 0.00 52.86 53.85 2krr s ASN 75 Cb 0.00 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2krr s ASN 75 CO 0.00 -1.33 0.22 -0.70 -1.51 0.00 0.00 177.10 173.78 2krr s GLU 76 N -4.25 3.64 0.82 -0.60 2.12 -1.26 -0.01 118.70 119.16 2krr s GLU 76 Ca 0.63 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.32 2krr s GLU 76 Cb -0.17 -3.75 0.08 0.00 0.26 0.00 0.00 34.13 30.55 2krr s GLU 76 CO 0.41 -0.35 1.09 0.96 -0.54 0.00 0.00 175.26 176.83 2krr s ILE 77 N 1.73 3.09 -0.12 -3.70 -5.25 -0.89 -4.74 121.20 111.32 2krr s ILE 77 Ca 0.06 0.35 0.00 0.00 -0.99 0.00 0.00 60.65 60.08 2krr s ILE 77 Cb -0.17 -2.85 0.02 0.00 2.95 0.00 0.00 42.46 42.42 2krr s ILE 77 CO 0.11 -0.46 -0.11 -0.54 -1.79 0.00 0.00 174.94 172.15 2krr s LYS 78 N -4.92 1.85 -0.14 0.37 -0.14 0.94 -4.82 119.74 112.88 2krr s LYS 78 Ca 0.62 -0.39 -0.17 0.00 -1.36 0.00 0.00 55.97 54.67 2krr s LYS 78 Cb -0.17 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 2krr s LYS 78 CO 0.56 -0.24 0.44 -0.51 -0.76 0.00 0.00 175.35 174.85 2krr s LEU 79 N 1.56 4.24 0.31 3.17 1.43 -1.26 -0.12 118.68 128.02 2krr s LEU 79 Ca 0.04 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2krr s LEU 79 Cb -0.13 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 2krr s LEU 79 CO -0.08 -0.01 0.33 -1.61 0.23 0.00 0.00 176.35 175.20 2krr s GLU 80 N 0.77 1.72 -0.16 1.70 0.41 0.27 -4.99 118.70 118.42 2krr s GLU 80 Ca 0.24 -1.85 -0.08 0.00 -0.41 0.00 0.00 54.97 52.87 2krr s GLU 80 Cb -0.15 0.36 -0.04 0.00 -1.78 0.00 0.00 34.13 32.52 2krr s GLU 80 CO 0.09 -0.66 0.12 0.21 -0.49 0.00 0.00 175.26 174.53 2krr s LYS 81 N -3.45 3.79 0.00 1.61 2.20 -1.26 -0.12 119.74 122.51 2krr s LYS 81 Ca 0.37 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2krr s LYS 81 Cb 0.02 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2krr s LYS 81 CO 0.22 0.51 0.00 -0.35 -0.36 0.00 0.00 175.35 175.37 2krr n PRO 82 N 2.84 -0.30 -1.09 4.03 -0.04 -1.26 -4.79 135.00 134.39 2krr n PRO 82 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2krr n PRO 82 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.97 -2.88 0.00 0.54 4.81 -1.26 -5.05 118.16 113.35 2krr n LYS 83 Ca 0.00 2.23 0.00 0.00 -0.87 0.00 0.00 58.31 59.67 2krr n LYS 83 Cb 0.00 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.30 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 -2.10 0.46 2.94 3.14 0.00 -1.26 -5.16 105.19 103.21 2krr n GLY 84 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2krr n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krr s LYS 85 N 0.00 0.31 0.31 1.61 2.20 -1.26 -5.10 119.74 117.81 2krr s LYS 85 Ca 0.00 -0.16 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 2krr s LYS 85 Cb 0.00 -0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 2krr s LYS 85 CO 0.00 0.08 0.56 0.34 -0.36 0.00 0.00 175.35 175.97 2krr s ASP 86 N -0.15 0.21 0.45 1.43 -1.08 -1.26 -5.03 116.67 111.23 2krr s ASP 86 Ca 0.01 -1.11 0.12 0.00 -0.52 0.00 0.00 52.55 51.06 2krr s ASP 86 Cb -0.02 0.68 1.00 0.00 -1.46 0.00 0.00 42.92 43.12 2krr s ASP 86 CO -0.00 -1.32 2.03 0.77 0.52 0.00 0.00 175.17 177.18 2krr h SER 87 N 2.14 0.14 0.17 -0.34 4.64 -2.04 -1.09 113.55 117.18 2krr h SER 87 Ca -0.27 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2krr h SER 87 Cb 1.25 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2krr h SER 87 CO 0.36 0.21 0.00 0.11 -0.87 0.00 0.00 176.83 176.64 2krr h LYS 88 N 0.16 0.00 -0.83 4.77 1.57 -2.03 -2.45 116.57 117.76 2krr h LYS 88 Ca 0.04 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.06 2krr h LYS 88 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2krr h LYS 88 CO 0.01 0.00 0.68 1.57 -0.57 0.00 0.00 179.45 181.13 2krr h LYS 89 N 0.00 0.00 0.09 3.15 2.10 -1.59 -1.90 116.57 118.42 2krr h LYS 89 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2krr h LYS 89 Cb 0.09 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.37 2krr h LYS 89 CO 0.00 0.00 -0.50 0.93 -2.00 0.00 0.00 179.45 177.88 2krr h GLU 90 N 0.00 -0.67 0.00 0.07 5.08 -1.66 -0.70 114.58 116.70 2krr h GLU 90 Ca 0.39 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2krr h GLU 90 Cb 1.74 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.14 2krr h GLU 90 CO -0.00 -0.44 -0.16 0.07 -1.00 0.00 0.00 179.01 177.47 2krr h ARG 91 N -0.69 0.00 0.00 2.33 0.11 -1.61 -1.55 114.38 112.97 2krr h ARG 91 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2krr h ARG 91 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 2krr h ARG 91 CO -0.29 0.16 0.00 -0.25 0.10 0.00 0.00 179.97 179.70 2krr n ASP 92 N -3.67 0.00 -0.23 0.08 9.92 -0.37 -3.45 116.55 118.83 2krr n ASP 92 Ca -0.02 0.28 0.03 0.00 -0.53 0.00 0.00 54.79 54.56 2krr n ASP 92 Cb 0.28 -0.40 0.15 0.00 -0.64 0.00 0.00 41.12 40.51 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krr h ALA 93 N 2.74 0.89 -0.47 2.24 0.00 -0.21 0.26 119.26 124.72 2krr h ALA 93 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2krr h ALA 93 Cb 0.25 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2krr h ALA 93 CO 0.00 -0.27 0.47 0.00 0.00 0.00 0.00 179.25 179.45 2krr h ARG 94 N 0.34 0.00 -6.50 0.00 3.08 -1.80 -3.40 114.38 106.10 2krr h ARG 94 Ca 0.37 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.89 2krr h ARG 94 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2krr h ARG 94 CO -0.42 0.00 0.40 0.99 -1.07 0.00 0.00 179.97 179.87 2krr s THR 95 N -4.66 4.51 0.18 2.04 2.01 0.93 -3.20 115.64 117.45 2krr s THR 95 Ca -0.04 1.93 0.05 0.00 0.31 0.00 0.00 61.69 63.94 2krr s THR 95 Cb 0.16 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2krr s THR 95 CO 0.57 0.22 0.17 -0.76 -0.69 0.00 0.00 174.62 174.14 2krr s LEU 96 N 0.51 3.89 0.03 4.42 2.01 0.16 -3.18 118.68 126.52 2krr s LEU 96 Ca 0.51 -0.10 0.05 0.00 0.01 0.00 0.00 54.13 54.60 2krr s LEU 96 Cb -0.24 -2.48 -0.03 0.00 0.01 0.00 0.00 46.19 43.45 2krr s LEU 96 CO 0.30 0.04 -0.12 -0.22 1.01 0.00 0.00 176.35 177.36 2krr s LEU 97 N -3.28 2.90 -0.07 1.79 2.96 0.10 -0.85 118.68 122.24 2krr s LEU 97 Ca 0.32 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2krr s LEU 97 Cb -0.10 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2krr s LEU 97 CO 0.24 0.26 -0.07 0.00 -1.32 0.00 0.00 176.35 175.46 2krr s ALA 98 N -0.98 2.96 0.26 5.97 0.00 0.93 -0.58 121.76 130.32 2krr s ALA 98 Ca 0.16 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2krr s ALA 98 Cb -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2krr s ALA 98 CO 0.07 0.56 0.20 0.15 0.00 0.00 0.00 175.76 176.74 2krr s LYS 99 N -0.77 1.45 -1.54 0.00 1.02 -0.69 -2.68 119.74 116.53 2krr s LYS 99 Ca 0.12 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.32 2krr s LYS 99 Cb -0.11 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2krr s LYS 99 CO 0.01 -0.51 0.00 -1.71 -0.92 0.00 0.00 175.35 172.23 2krr n ASN 100 N -0.82 -4.94 -4.88 2.83 5.15 -1.26 -2.43 115.26 108.92 2krr n ASN 100 Ca 0.04 0.14 -0.35 0.00 -0.60 0.00 0.00 54.58 53.80 2krr n ASN 100 Cb 0.64 -3.99 -0.05 0.00 -0.53 0.00 0.00 39.78 35.84 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 -4.41 4.39 1.00 1.20 1.43 -1.21 -4.47 118.68 116.60 2krr s LEU 101 Ca 0.00 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 2krr s LEU 101 Cb 0.00 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.84 2krr s LEU 101 CO 0.00 0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 2krr s PRO 102 N -1.55 0.42 0.00 1.29 0.04 -1.26 -4.47 135.00 129.47 2krr s PRO 102 Ca 0.25 0.52 0.26 0.00 0.04 0.00 0.00 61.00 62.08 2krr s PRO 102 Cb -0.13 -1.74 1.37 0.00 0.04 0.00 0.00 34.50 34.04 2krr s PRO 102 CO 0.14 -2.74 1.90 0.66 0.04 0.00 0.00 177.00 176.99 2krr n TYR 103 N -4.18 0.00 0.54 0.56 4.01 -1.26 -2.66 117.16 114.17 2krr n TYR 103 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.85 2krr n TYR 103 Cb 0.57 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.22 3.21 -1.33 -0.72 2.85 -1.26 -3.56 118.16 116.12 2krr n LYS 104 Ca 0.14 -0.02 -0.37 0.00 -1.05 0.00 0.00 58.31 57.01 2krr n LYS 104 Cb 0.18 -1.04 0.06 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.24 1.98 -4.10 0.58 3.14 -1.09 -5.02 118.33 112.58 2krr n VAL 105 Ca 0.02 -0.43 -0.10 0.00 -2.96 0.00 0.00 64.34 60.87 2krr n VAL 105 Cb 0.18 -0.73 -0.10 0.00 -1.06 0.00 0.00 33.84 32.13 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 -1.84 0.46 0.20 1.55 2.01 -1.26 -4.91 115.64 111.85 2krr s THR 106 Ca 0.67 -1.60 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 2krr s THR 106 Cb -0.38 -1.24 0.17 0.00 0.01 0.00 0.00 72.50 71.06 2krr s THR 106 CO 0.57 -0.76 1.59 1.56 -0.69 0.00 0.00 174.62 176.89 2krr h GLN 107 N 3.54 -0.11 -0.52 4.92 4.20 -1.98 0.55 115.11 125.70 2krr h GLN 107 Ca -0.35 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.46 2krr h GLN 107 Cb 1.17 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.91 2krr h GLN 107 CO 0.57 -0.08 0.12 0.22 -0.67 0.00 0.00 178.83 178.99 2krr h ASP 108 N -0.12 0.02 -0.28 1.46 1.82 -1.96 0.97 116.42 118.33 2krr h ASP 108 Ca 0.26 0.09 0.05 0.00 -0.39 0.00 0.00 57.03 57.04 2krr h ASP 108 Cb 0.55 0.12 -0.08 0.00 0.68 0.00 0.00 39.33 40.60 2krr h ASP 108 CO -0.70 0.04 -0.51 -0.33 -1.61 0.00 0.00 179.24 176.12 2krr h GLU 109 N 0.26 -0.45 -0.01 0.28 4.39 -1.30 0.60 114.58 118.35 2krr h GLU 109 Ca 0.26 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 2krr h GLU 109 Cb 0.35 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2krr h GLU 109 CO -0.33 -0.30 -0.24 -0.07 -1.16 0.00 0.00 179.01 176.91 2krr h LEU 110 N -0.46 0.01 -0.40 1.33 3.38 -1.06 -1.56 115.31 116.55 2krr h LEU 110 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2krr h LEU 110 Cb 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2krr h LEU 110 CO -0.51 0.26 0.00 2.29 0.09 0.00 0.00 178.44 180.56 2krr n LYS 111 N -4.25 0.07 0.19 1.13 2.85 0.30 -2.15 118.16 116.31 2krr n LYS 111 Ca -0.02 0.41 0.14 0.00 -1.05 0.00 0.00 58.31 57.78 2krr n LYS 111 Cb 0.30 -1.67 0.65 0.00 -0.65 0.00 0.00 35.03 33.67 2krr n LYS 111 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2krr h GLU 112 N 0.00 0.00 0.00 -1.58 4.39 -0.22 0.36 114.58 117.52 2krr h GLU 112 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2krr h GLU 112 Cb 0.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2krr h GLU 112 CO 0.00 0.00 -1.94 1.33 -1.16 0.00 0.00 179.01 177.24 2krr n VAL 113 N -2.45 0.93 -1.36 3.13 0.24 -0.91 -4.65 118.33 113.25 2krr n VAL 113 Ca -0.00 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.34 61.77 2krr n VAL 113 Cb 0.13 -1.73 0.11 0.00 -1.47 0.00 0.00 33.84 30.88 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 -3.76 3.04 0.25 6.34 1.16 -1.21 -4.63 117.46 118.66 2krr n PHE 114 Ca -0.33 -2.57 0.18 0.00 -1.87 0.00 0.00 57.45 52.86 2krr n PHE 114 Cb 0.73 -1.18 0.90 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 1.67 0.00 0.00 3.97 4.81 -0.55 0.39 114.58 124.87 2krr h GLU 115 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 2krr h GLU 115 Cb 1.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2krr h GLU 115 CO 1.34 0.00 -0.08 0.22 -0.73 0.00 0.00 179.01 179.75 2krr h ASP 116 N 0.00 0.00 -2.35 1.04 3.58 -1.83 -3.47 116.42 113.39 2krr h ASP 116 Ca 0.06 -0.02 -0.48 0.00 0.42 0.00 0.00 57.03 57.00 2krr h ASP 116 Cb 0.41 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.70 2krr h ASP 116 CO -0.00 0.01 -1.25 0.00 -2.88 0.00 0.00 179.24 175.12 2krr n ALA 117 N -1.88 -4.14 0.25 -0.78 0.00 0.14 -4.94 120.51 109.15 2krr n ALA 117 Ca 0.05 -1.12 -0.10 0.00 0.00 0.00 0.00 53.44 52.26 2krr n ALA 117 Cb 0.46 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 2krr n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ALA 118 N -1.76 -0.80 -2.62 0.00 0.00 -1.84 -3.48 119.26 108.77 2krr h ALA 118 Ca -0.49 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2krr h ALA 118 Cb 1.35 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.27 2krr h ALA 118 CO 0.34 -0.75 -0.42 -1.83 0.00 0.00 0.00 179.25 176.59 2krr s GLU 119 N -3.88 1.18 0.03 0.00 -1.05 -0.63 -5.05 118.70 109.31 2krr s GLU 119 Ca -0.10 -1.34 0.04 0.00 -0.15 0.00 0.00 54.97 53.42 2krr s GLU 119 Cb 0.01 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 2krr s GLU 119 CO 0.30 -0.42 -0.12 0.42 0.95 0.00 0.00 175.26 176.38 2krr s ILE 120 N -4.04 0.97 -0.23 1.83 1.09 -1.26 -2.27 121.20 117.28 2krr s ILE 120 Ca 0.24 -0.88 -0.03 0.00 -1.10 0.00 0.00 60.65 58.88 2krr s ILE 120 Cb 0.04 -0.88 0.10 0.00 -1.06 0.00 0.00 42.46 40.66 2krr s ILE 120 CO 0.05 0.00 0.21 -0.13 -0.10 0.00 0.00 174.94 174.97 2krr s ARG 121 N -1.00 0.21 0.26 2.79 1.81 0.51 -4.96 118.95 118.57 2krr s ARG 121 Ca 0.01 -0.02 -0.12 0.00 -1.72 0.00 0.00 55.73 53.88 2krr s ARG 121 Cb -0.07 -1.14 -0.08 0.00 -0.45 0.00 0.00 34.95 33.21 2krr s ARG 121 CO 0.01 -0.80 0.62 -1.17 -0.68 0.00 0.00 175.30 173.28 2krr s LEU 122 N 2.28 4.15 -0.24 2.53 2.96 -1.26 0.27 118.68 129.36 2krr s LEU 122 Ca 0.07 1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.98 2krr s LEU 122 Cb -0.15 -3.79 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 2krr s LEU 122 CO -0.20 -0.10 0.09 -0.69 -1.32 0.00 0.00 176.35 174.12 2krr s VAL 123 N -1.84 4.59 -0.12 1.68 1.01 -1.16 -4.87 120.40 119.69 2krr s VAL 123 Ca 0.49 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 2krr s VAL 123 Cb -0.11 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.18 2krr s VAL 123 CO 0.20 0.34 0.58 -0.94 0.00 0.00 0.00 175.10 175.28 2krr s SER 124 N 1.42 -0.57 -0.01 3.32 1.04 -1.26 -2.50 113.70 115.13 2krr s SER 124 Ca 0.06 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.34 2krr s SER 124 Cb -0.15 0.81 -0.00 0.00 0.10 0.00 0.00 66.02 66.78 2krr s SER 124 CO 0.05 -0.41 -0.07 -0.75 0.98 0.00 0.00 173.24 173.04 2krr s LYS 125 N -0.55 0.65 -1.70 4.02 2.20 -0.02 -4.77 119.74 119.57 2krr s LYS 125 Ca -0.07 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2krr s LYS 125 Cb -0.03 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 2krr s LYS 125 CO 0.05 0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.69 2krr n ASP 126 N 3.09 -5.05 -0.18 1.43 2.03 -1.26 -1.78 116.55 114.83 2krr n ASP 126 Ca -0.15 0.28 -0.02 0.00 0.52 0.00 0.00 54.79 55.42 2krr n ASP 126 Cb 0.56 -4.08 -0.00 0.00 -0.72 0.00 0.00 41.12 36.88 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 -0.92 0.35 2.98 0.27 0.00 -1.26 -5.05 105.19 101.56 2krr n GLY 127 Ca -0.18 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 2krr n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 128 N -3.61 0.50 0.57 1.61 -0.14 -0.74 -5.15 119.74 112.79 2krr s LYS 128 Ca 0.00 -0.28 -0.17 0.00 -1.36 0.00 0.00 55.97 54.16 2krr s LYS 128 Cb 0.00 -0.47 -0.05 0.00 -1.68 0.00 0.00 37.83 35.64 2krr s LYS 128 CO 0.00 0.12 1.07 0.45 -0.76 0.00 0.00 175.35 176.24 2krr s SER 129 N -0.30 5.83 -0.01 2.83 0.15 -1.23 -0.84 113.70 120.12 2krr s SER 129 Ca 0.01 1.93 0.20 0.00 0.70 0.00 0.00 55.95 58.79 2krr s SER 129 Cb -0.03 -2.55 -0.26 0.00 -1.71 0.00 0.00 66.02 61.47 2krr s SER 129 CO -0.00 -1.14 0.63 0.29 1.20 0.00 0.00 173.24 174.22 2krr n LYS 130 N -1.69 0.59 0.00 5.44 4.76 -1.04 -4.86 118.16 121.36 2krr n LYS 130 Ca 0.10 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2krr n LYS 130 Cb 0.52 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 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 1.41 0.47 3.00 0.72 0.00 -1.26 -5.05 105.19 104.48 2krr n GLY 131 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.65 -0.05 -0.61 -5.25 -1.26 -3.33 121.20 109.35 2krr s ILE 132 Ca 0.00 -0.33 0.02 0.00 -0.99 0.00 0.00 60.65 59.34 2krr s ILE 132 Cb 0.00 -0.55 0.02 0.00 2.95 0.00 0.00 42.46 44.87 2krr s ILE 132 CO 0.00 0.19 -0.07 0.00 -1.79 0.00 0.00 174.94 173.27 2krr s ALA 133 N -0.09 0.86 0.21 2.27 0.00 -1.09 -2.97 121.76 120.96 2krr s ALA 133 Ca 0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 2krr s ALA 133 Cb -0.04 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 2krr s ALA 133 CO -0.00 0.04 0.53 0.71 0.00 0.00 0.00 175.76 177.05 2krr s TYR 134 N 0.78 3.45 -0.03 0.00 2.02 0.14 -0.05 117.35 123.67 2krr s TYR 134 Ca -0.12 0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 57.44 2krr s TYR 134 Cb -0.15 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 2krr s TYR 134 CO 0.01 0.31 0.06 0.96 -1.57 0.00 0.00 175.55 175.32 2krr s ILE 135 N -1.75 -0.04 -0.45 2.71 -4.36 -0.03 -0.37 121.20 116.91 2krr s ILE 135 Ca 0.45 0.15 -0.13 0.00 -0.26 0.00 0.00 60.65 60.86 2krr s ILE 135 Cb -0.12 -0.12 0.07 0.00 1.25 0.00 0.00 42.46 43.55 2krr s ILE 135 CO 0.21 0.06 0.34 -0.70 0.24 0.00 0.00 174.94 175.10 2krr s GLU 136 N 0.81 2.86 0.85 0.37 2.12 -0.96 0.37 118.70 125.11 2krr s GLU 136 Ca -0.07 -1.37 -0.13 0.00 0.36 0.00 0.00 54.97 53.77 2krr s GLU 136 Cb -0.09 -4.01 0.11 0.00 0.26 0.00 0.00 34.13 30.40 2krr s GLU 136 CO -0.03 -0.99 1.21 -0.06 -0.54 0.00 0.00 175.26 174.86 2krr s PHE 137 N 1.57 2.63 -0.09 5.30 0.40 -1.20 -1.61 117.98 124.99 2krr s PHE 137 Ca 0.04 0.65 -0.27 0.00 -0.60 0.00 0.00 56.93 56.74 2krr s PHE 137 Cb -0.24 -3.65 -0.23 0.00 0.51 0.00 0.00 43.02 39.41 2krr s PHE 137 CO 0.05 -1.99 1.00 0.87 0.70 0.00 0.00 175.22 175.85 2krr h LYS 138 N -1.20 0.01 -4.22 0.44 6.56 -1.93 -3.44 116.57 112.78 2krr h LYS 138 Ca -0.46 -0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.00 2krr h LYS 138 Cb 1.31 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.81 2krr h LYS 138 CO 0.59 0.77 -0.68 -0.08 -2.06 0.00 0.00 179.45 177.99 2krr s THR 139 N -3.14 0.22 0.24 -0.16 -1.32 -1.26 -5.03 115.64 105.19 2krr s THR 139 Ca -0.18 -1.70 -0.05 0.00 -1.21 0.00 0.00 61.69 58.56 2krr s THR 139 Cb -0.01 -1.36 0.20 0.00 -1.51 0.00 0.00 72.50 69.82 2krr s THR 139 CO 0.69 -0.93 1.80 -0.08 -2.21 0.00 0.00 174.62 173.88 2krr h GLU 140 N 3.34 0.70 0.00 7.08 4.57 -1.92 0.17 114.58 128.52 2krr h GLU 140 Ca -0.34 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 2krr h GLU 140 Cb 1.15 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2krr h GLU 140 CO 0.63 0.46 -0.09 0.00 -1.18 0.00 0.00 179.01 178.83 2krr h ALA 141 N 1.45 1.25 0.03 2.92 0.00 -1.97 0.28 119.26 123.22 2krr h ALA 141 Ca 0.38 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.94 2krr h ALA 141 Cb 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2krr h ALA 141 CO -0.26 0.11 -1.46 -0.44 0.00 0.00 0.00 179.25 177.20 2krr h ASP 142 N 0.00 0.10 0.00 0.00 5.19 -1.17 -3.19 116.42 117.35 2krr h ASP 142 Ca -0.00 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2krr h ASP 142 Cb 0.28 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 2krr h ASP 142 CO 0.01 1.13 -0.21 0.00 -3.12 0.00 0.00 179.24 177.06 2krr h ALA 143 N 0.85 0.00 -0.41 3.45 0.00 -0.42 -1.81 119.26 120.92 2krr h ALA 143 Ca -0.20 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.61 2krr h ALA 143 Cb 1.94 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 2krr h ALA 143 CO 0.11 0.20 0.43 1.05 0.00 0.00 0.00 179.25 181.04 2krr h GLU 144 N -1.00 0.00 0.00 0.00 4.11 -0.68 -1.55 114.58 115.45 2krr h GLU 144 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 2krr h GLU 144 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2krr h GLU 144 CO -0.00 0.00 -0.64 -0.22 0.07 0.00 0.00 179.01 178.22 2krr h LYS 145 N 0.00 0.00 -1.18 1.06 1.63 -1.68 -3.36 116.57 113.04 2krr h LYS 145 Ca 0.20 0.00 0.34 0.00 -0.85 0.00 0.00 60.65 60.34 2krr h LYS 145 Cb 1.05 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.63 2krr h LYS 145 CO -0.00 0.56 0.86 1.15 -3.45 0.00 0.00 179.45 178.57 2krr h THR 146 N -1.00 0.40 0.06 1.00 2.02 -0.75 0.15 112.91 114.79 2krr h THR 146 Ca -0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2krr h THR 146 Cb 0.83 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2krr h THR 146 CO -0.08 0.00 -0.44 0.15 0.37 0.00 0.00 175.52 175.52 2krr h PHE 147 N 0.00 -1.27 0.00 3.16 3.57 -1.44 0.20 116.94 121.16 2krr h PHE 147 Ca 0.56 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 62.06 2krr h PHE 147 Cb 2.26 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 41.55 2krr h PHE 147 CO 0.00 -0.48 -0.43 1.05 -2.23 0.00 0.00 178.31 176.22 2krr h GLU 148 N -0.59 0.00 0.00 1.11 4.11 -1.51 0.17 114.58 117.87 2krr h GLU 148 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2krr h GLU 148 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2krr h GLU 148 CO -0.26 0.12 0.00 0.93 0.07 0.00 0.00 179.01 179.87 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.36 -3.28 114.58 116.39 2krr h GLU 149 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2krr h GLU 149 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2krr h GLU 149 CO 0.02 0.00 -0.96 1.63 -1.16 0.00 0.00 179.01 178.53 2krr n LYS 150 N -2.74 3.50 -1.52 2.33 4.76 0.68 -4.99 118.16 120.18 2krr n LYS 150 Ca 0.02 0.00 -0.50 0.00 -2.87 0.00 0.00 58.31 54.96 2krr n LYS 150 Cb 0.32 -0.98 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 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 -1.90 0.67 0.00 1.97 7.27 0.60 -3.37 117.38 122.63 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 0.43 -1.57 0.00 0.00 2.41 0.00 0.00 30.24 31.51 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 1.80 0.99 3.85 1.69 0.00 -1.26 -4.94 105.19 107.31 2krr n GLY 152 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 3.43 -0.15 2.61 -1.32 -1.22 -5.01 115.64 111.98 2krr s THR 153 Ca 0.00 0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.96 2krr s THR 153 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 2krr s THR 153 CO 0.00 -0.61 -0.18 -1.61 -2.21 0.00 0.00 174.62 170.01 2krr s GLU 154 N -5.25 3.14 -0.07 7.08 2.02 -1.26 -3.52 118.70 120.83 2krr s GLU 154 Ca 0.59 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.79 2krr s GLU 154 Cb -0.12 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.58 2krr s GLU 154 CO 0.53 0.01 -0.06 0.42 0.02 0.00 0.00 175.26 176.18 2krr s ILE 155 N 0.81 0.73 -1.73 -1.63 1.09 0.12 -4.75 121.20 115.83 2krr s ILE 155 Ca -0.06 -0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.31 2krr s ILE 155 Cb -0.15 -0.75 0.00 0.00 -1.06 0.00 0.00 42.46 40.49 2krr s ILE 155 CO -0.01 0.29 0.00 -0.67 -0.10 0.00 0.00 174.94 174.45 2krr n ASP 156 N 4.40 -4.97 0.00 3.58 2.03 -1.26 -1.84 116.55 118.49 2krr n ASP 156 Ca -0.18 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2krr n ASP 156 Cb 0.51 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 36.99 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 157 N -0.97 3.05 3.99 0.27 0.00 -1.26 -5.03 105.19 105.24 2krr n GLY 157 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 2krr n GLY 157 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2krr s ARG 158 N -0.23 2.69 -0.41 1.61 1.70 -0.76 -5.04 118.95 118.50 2krr s ARG 158 Ca 0.00 -0.97 -0.13 0.00 -0.47 0.00 0.00 55.73 54.16 2krr s ARG 158 Cb 0.00 -2.61 0.04 0.00 -0.57 0.00 0.00 34.95 31.81 2krr s ARG 158 CO 0.00 -0.50 0.28 -1.12 -1.08 0.00 0.00 175.30 172.88 2krr s SER 159 N -4.38 5.93 0.35 -2.89 0.01 -1.26 0.12 113.70 111.58 2krr s SER 159 Ca 0.56 -1.08 -0.26 0.00 1.31 0.00 0.00 55.95 56.48 2krr s SER 159 Cb -0.10 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.94 2krr s SER 159 CO 0.36 -0.47 1.04 0.27 0.41 0.00 0.00 173.24 174.84 2krr s ILE 160 N 1.60 3.77 0.15 1.44 -4.36 -1.23 -4.94 121.20 117.63 2krr s ILE 160 Ca 0.03 1.48 0.10 0.00 -0.26 0.00 0.00 60.65 62.00 2krr s ILE 160 Cb -0.20 -3.82 -0.04 0.00 1.25 0.00 0.00 42.46 39.64 2krr s ILE 160 CO 0.07 0.13 -0.20 -0.44 0.24 0.00 0.00 174.94 174.74 2krr s SER 161 N -1.41 3.71 0.06 4.36 0.01 -1.02 -4.43 113.70 114.99 2krr s SER 161 Ca 0.53 -0.68 0.09 0.00 1.31 0.00 0.00 55.95 57.20 2krr s SER 161 Cb -0.24 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 2krr s SER 161 CO 0.30 0.15 -0.25 -0.76 0.41 0.00 0.00 173.24 173.09 2krr s LEU 162 N -2.38 2.20 -0.15 2.44 1.43 -1.26 -1.70 118.68 119.26 2krr s LEU 162 Ca 0.19 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2krr s LEU 162 Cb -0.09 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.98 2krr s LEU 162 CO 0.10 0.22 0.33 -0.31 0.23 0.00 0.00 176.35 176.92 2krr s TYR 163 N -0.86 -0.52 0.74 0.29 2.02 0.25 -4.96 117.35 114.31 2krr s TYR 163 Ca 0.11 1.11 -0.12 0.00 -0.37 0.00 0.00 57.07 57.81 2krr s TYR 163 Cb -0.10 0.14 0.04 0.00 -0.40 0.00 0.00 41.96 41.64 2krr s TYR 163 CO 0.03 -0.34 1.09 1.52 -1.57 0.00 0.00 175.55 176.28 2krr s TYR 164 N 1.81 2.62 0.32 2.71 -0.85 -1.26 0.01 117.35 122.71 2krr s TYR 164 Ca -0.06 1.55 0.02 0.00 -0.52 0.00 0.00 57.07 58.06 2krr s TYR 164 Cb -0.10 -3.06 -0.01 0.00 0.38 0.00 0.00 41.96 39.16 2krr s TYR 164 CO -0.11 -1.74 0.07 0.25 -1.52 0.00 0.00 175.55 172.50 2krr n THR 165 N -3.26 0.00 -3.26 -3.49 -2.24 -1.19 -4.75 114.28 96.09 2krr n THR 165 Ca 0.09 -1.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.03 2krr n THR 165 Cb 0.53 0.52 0.03 0.00 -2.10 0.00 0.00 70.33 69.31 2krr n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2krr n GLY 166 N 0.28 -1.19 3.41 3.38 0.00 -1.26 -4.17 105.19 105.63 2krr n GLY 166 Ca -0.08 0.52 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.70 0.01 -0.57 1.61 0.00 -1.26 -4.22 120.64 113.52 2krr n GLU 167 Ca -0.06 0.05 -0.16 0.00 0.00 0.00 0.00 57.16 56.99 2krr n GLU 167 Cb 0.57 -1.77 0.14 0.00 0.00 0.00 0.00 31.44 30.38 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 -0.88 -2.17 -0.00 3.44 -0.04 -1.26 -4.70 135.00 129.39 2krr n PRO 168 Ca 0.08 -0.95 0.02 0.00 -0.04 0.00 0.00 63.50 62.61 2krr n PRO 168 Cb 0.52 -0.89 -0.03 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.31 1.13 -2.52 0.54 4.01 -1.26 -5.01 118.16 111.74 2krr n LYS 169 Ca 0.08 -0.03 -0.17 0.00 -0.51 0.00 0.00 58.31 57.68 2krr n LYS 169 Cb 0.32 -1.02 -0.00 0.00 -0.51 0.00 0.00 35.03 33.82 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 2.06 -0.50 0.14 0.72 0.00 -1.26 -4.86 105.19 101.49 2krr n GLY 170 Ca -0.00 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 0.45 0.00 1.61 4.11 -2.04 -3.43 114.58 115.11 2krr h GLU 171 Ca -0.40 -0.76 0.00 0.00 0.07 0.00 0.00 59.36 58.27 2krr h GLU 171 Cb 1.29 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2krr h GLU 171 CO 0.47 1.37 -0.13 0.41 0.07 0.00 0.00 179.01 181.20 2krr n GLY 172 N 1.76 0.76 0.16 1.06 0.00 -1.26 -4.96 105.19 102.72 2krr n GLY 172 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2krr n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2krr h LEU 173 N 0.00 -0.35 0.00 0.99 3.38 -1.96 -3.54 115.31 113.82 2krr h LEU 173 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2krr h LEU 173 Cb 1.10 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2krr h LEU 173 CO 0.00 -0.14 0.00 1.21 0.09 0.00 0.00 178.44 179.60