#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 -1.05 0.03 2.61 5.66 -1.26 -4.31 114.28 115.96 2krr n THR 2 Ca 0.00 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2krr n THR 2 Cb 0.00 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 67.78 2krr n THR 2 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2krr n GLU 3 N -4.04 0.00 -1.67 1.09 -0.58 -1.26 -5.15 120.64 109.03 2krr n GLU 3 Ca -0.24 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.17 2krr n GLU 3 Cb 0.56 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.48 2krr n GLU 3 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2krr s PRO 4 N -1.83 2.70 -0.12 3.49 0.04 -1.26 -4.99 135.00 133.03 2krr s PRO 4 Ca 0.00 1.35 0.10 0.00 0.04 0.00 0.00 61.00 62.49 2krr s PRO 4 Cb 0.00 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 2krr s PRO 4 CO 0.00 -1.32 0.03 -2.37 0.04 0.00 0.00 177.00 173.38 2krr n THR 5 N -2.61 0.81 -4.04 1.26 5.66 -1.26 -5.03 114.28 109.06 2krr n THR 5 Ca 0.10 -0.49 -0.23 0.00 -3.05 0.00 0.00 64.05 60.38 2krr n THR 5 Cb 0.52 -0.70 -0.06 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 -2.28 2.68 -0.74 1.09 -4.23 -1.26 -5.03 115.64 105.87 2krr s THR 6 Ca -0.06 -1.65 0.25 0.00 -1.18 0.00 0.00 61.69 59.04 2krr s THR 6 Cb 0.04 -2.98 0.09 0.00 1.34 0.00 0.00 72.50 70.98 2krr s THR 6 CO 0.48 -0.09 1.44 0.00 -0.54 0.00 0.00 174.62 175.91 2krr n ALA 7 N -1.23 2.90 -2.58 3.99 0.00 -1.26 -4.77 120.51 117.55 2krr n ALA 7 Ca -0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 2krr n ALA 7 Cb 0.63 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 2.96 0.01 0.00 0.40 -1.26 -5.00 117.98 111.97 2krr s PHE 8 Ca 0.08 0.51 -0.15 0.00 -0.60 0.00 0.00 56.93 56.77 2krr s PHE 8 Cb 0.14 -3.89 0.03 0.00 0.51 0.00 0.00 43.02 39.81 2krr s PHE 8 CO 0.69 -1.02 0.33 -0.80 0.70 0.00 0.00 175.22 175.12 2krr s ASN 9 N 2.16 -0.20 0.06 1.36 -0.87 -1.26 -1.34 114.94 114.86 2krr s ASN 9 Ca 0.38 -0.00 0.05 0.00 -1.57 0.00 0.00 52.86 51.72 2krr s ASN 9 Cb -0.11 0.35 -0.03 0.00 -0.02 0.00 0.00 41.25 41.45 2krr s ASN 9 CO 0.24 -0.54 -0.14 -1.48 -2.57 0.00 0.00 177.10 172.61 2krr s LEU 10 N -1.67 2.25 -0.28 0.60 0.05 -0.54 -4.84 118.68 114.25 2krr s LEU 10 Ca -0.09 -0.58 -0.28 0.00 0.05 0.00 0.00 54.13 53.23 2krr s LEU 10 Cb -0.03 -0.53 0.01 0.00 -2.05 0.00 0.00 46.19 43.59 2krr s LEU 10 CO 0.01 -0.05 0.99 0.12 -0.55 0.00 0.00 176.35 176.86 2krr s PHE 11 N -1.18 3.23 0.27 3.48 2.19 0.11 -1.54 117.98 124.55 2krr s PHE 11 Ca -0.01 1.20 0.09 0.00 0.33 0.00 0.00 56.93 58.54 2krr s PHE 11 Cb -0.09 -3.41 -0.04 0.00 -1.31 0.00 0.00 43.02 38.16 2krr s PHE 11 CO 0.02 -0.60 0.03 0.14 1.83 0.00 0.00 175.22 176.63 2krr s VAL 12 N 3.30 3.51 0.31 3.12 -7.23 0.46 0.10 120.40 123.97 2krr s VAL 12 Ca 0.41 -1.85 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 2krr s VAL 12 Cb -0.14 -2.91 0.02 0.00 0.56 0.00 0.00 36.38 33.91 2krr s VAL 12 CO 0.11 -0.36 0.48 0.61 -0.31 0.00 0.00 175.10 175.64 2krr n GLY 13 N -0.94 1.94 3.57 2.32 0.00 0.13 -1.21 105.19 111.01 2krr n GLY 13 Ca -0.06 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.63 -3.56 -1.56 1.61 5.15 0.48 -0.01 115.26 115.74 2krr n ASN 14 Ca -0.02 -0.83 0.10 0.00 -0.60 0.00 0.00 54.58 53.23 2krr n ASN 14 Cb 0.50 -4.22 0.35 0.00 -0.53 0.00 0.00 39.78 35.88 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 4.69 -1.27 1.20 4.77 -0.43 -3.21 117.00 118.76 2krr n LEU 15 Ca -0.19 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 2krr n LEU 15 Cb 0.64 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2krr n LEU 15 CO 0.65 0.83 -0.34 -3.20 -1.33 0.00 0.00 177.39 174.00 2krr n ASN 16 N 1.15 -7.04 -3.71 -1.43 5.15 -1.26 -4.87 115.26 103.25 2krr n ASN 16 Ca 0.26 0.95 -0.33 0.00 -0.60 0.00 0.00 54.58 54.85 2krr n ASN 16 Cb 0.87 -3.32 -0.05 0.00 -0.53 0.00 0.00 39.78 36.74 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 -0.29 3.29 0.00 1.20 -1.74 -1.23 -4.47 117.46 114.23 2krr n PHE 17 Ca 0.00 -3.67 0.00 0.00 -0.56 0.00 0.00 57.45 53.22 2krr n PHE 17 Cb 0.00 -0.86 0.00 0.00 1.52 0.00 0.00 39.48 40.14 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 1.23 0.12 -3.32 5.98 3.02 -1.26 -5.06 115.26 115.97 2krr n ASN 18 Ca 0.27 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.62 2krr n ASN 18 Cb 0.38 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.81 -0.91 -1.72 3.52 4.76 -1.26 -5.08 118.16 115.66 2krr n LYS 19 Ca 0.00 -1.43 -0.30 0.00 -2.87 0.00 0.00 58.31 53.71 2krr n LYS 19 Cb 0.02 -0.95 0.21 0.00 -1.84 0.00 0.00 35.03 32.47 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2krr s SER 20 N -4.38 2.43 0.00 4.39 0.01 -1.26 -4.95 113.70 109.94 2krr s SER 20 Ca 0.52 0.30 -0.23 0.00 1.31 0.00 0.00 55.95 57.85 2krr s SER 20 Cb -0.01 -0.35 -0.13 0.00 0.21 0.00 0.00 66.02 65.74 2krr s SER 20 CO 0.37 -3.16 0.98 0.00 0.41 0.00 0.00 173.24 171.84 2krr h ALA 21 N -1.94 -0.86 0.00 1.44 0.00 -1.97 -3.13 119.26 112.80 2krr h ALA 21 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2krr h ALA 21 Cb 1.24 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2krr h ALA 21 CO 0.34 -0.80 0.00 -0.35 0.00 0.00 0.00 179.25 178.44 2krr n PRO 22 N -5.26 0.11 0.15 0.00 -0.04 -1.26 -2.17 135.00 126.54 2krr n PRO 22 Ca -0.10 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2krr n PRO 22 Cb 0.33 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.18 0.54 4.57 -1.92 -3.33 114.58 114.62 2krr h GLU 23 Ca 0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 2krr h GLU 23 Cb 0.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2krr h GLU 23 CO 0.00 0.00 -1.77 -0.07 -1.18 0.00 0.00 179.01 175.99 2krr h LEU 24 N 0.00 0.60 -0.83 1.64 3.38 -1.39 -3.36 115.31 115.36 2krr h LEU 24 Ca 0.00 -0.94 0.15 0.00 0.09 0.00 0.00 57.88 57.18 2krr h LEU 24 Cb 0.93 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 2krr h LEU 24 CO 0.00 1.80 0.40 0.11 0.09 0.00 0.00 178.44 180.83 2krr h LYS 25 N 0.10 0.53 0.43 1.13 1.57 -1.67 -1.46 116.57 117.20 2krr h LYS 25 Ca -0.35 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2krr h LYS 25 Cb 2.09 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 2krr h LYS 25 CO 0.17 0.35 -0.52 1.15 -0.57 0.00 0.00 179.45 180.03 2krr h THR 26 N 0.55 0.00 -0.42 -0.16 2.02 -1.70 -1.21 112.91 111.98 2krr h THR 26 Ca 0.46 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.71 2krr h THR 26 Cb 0.70 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 2krr h THR 26 CO -0.39 0.00 0.05 1.23 0.37 0.00 0.00 175.52 176.78 2krr h GLY 27 N -0.97 0.47 0.16 2.16 0.00 -1.57 0.24 103.07 103.56 2krr h GLY 27 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.36 2krr h GLY 27 CO -0.11 -0.07 -0.16 -2.22 0.00 0.00 0.00 176.54 173.98 2krr h ILE 28 N 0.17 0.51 0.00 2.60 2.04 -1.04 0.13 117.51 121.92 2krr h ILE 28 Ca 0.21 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 2krr h ILE 28 Cb 0.27 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2krr h ILE 28 CO -0.30 0.00 -0.02 0.77 0.00 0.00 0.00 178.15 178.60 2krr h SER 29 N -0.10 0.00 0.44 1.72 4.64 -0.72 -3.18 113.55 116.35 2krr h SER 29 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 2krr h SER 29 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2krr h SER 29 CO -0.41 0.02 -0.21 -0.78 -0.87 0.00 0.00 176.83 174.57 2krr h ASP 30 N 0.00 -0.50 -0.95 4.97 1.82 0.20 -2.23 116.42 119.72 2krr h ASP 30 Ca -0.00 -0.01 0.22 0.00 -0.39 0.00 0.00 57.03 56.85 2krr h ASP 30 Cb 0.63 0.13 -0.12 0.00 0.68 0.00 0.00 39.33 40.65 2krr h ASP 30 CO 0.00 -0.07 0.52 1.62 -1.61 0.00 0.00 179.24 179.70 2krr h VAL 31 N -1.14 0.56 -0.58 2.25 3.04 -1.12 0.16 116.25 119.42 2krr h VAL 31 Ca -0.06 -0.19 -0.10 0.00 -1.01 0.00 0.00 66.70 65.34 2krr h VAL 31 Cb 0.48 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.69 2krr h VAL 31 CO 0.10 0.10 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.48 2krr h PHE 32 N 0.56 1.13 -0.04 3.17 0.04 -1.60 -2.43 116.94 117.77 2krr h PHE 32 Ca 0.59 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 61.17 2krr h PHE 32 Cb 1.06 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 2krr h PHE 32 CO -0.05 1.00 0.07 0.00 -0.60 0.00 0.00 178.31 178.73 2krr h ALA 33 N 1.02 1.37 0.00 2.45 0.00 -0.04 0.11 119.26 124.17 2krr h ALA 33 Ca 0.16 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2krr h ALA 33 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2krr h ALA 33 CO 0.03 -0.09 -0.55 1.57 0.00 0.00 0.00 179.25 180.22 2krr h LYS 34 N 0.00 0.00 -0.92 0.00 2.10 -1.08 -3.24 116.57 113.43 2krr h LYS 34 Ca 0.02 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.36 2krr h LYS 34 Cb 0.15 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.30 2krr h LYS 34 CO -0.00 0.40 0.40 0.09 -2.00 0.00 0.00 179.45 178.34 2krr n ASN 35 N -3.16 3.91 -2.59 7.07 3.02 0.26 -4.86 115.26 118.91 2krr n ASN 35 Ca 0.01 -3.15 -0.21 0.00 -0.03 0.00 0.00 54.58 51.19 2krr n ASN 35 Cb 0.72 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.49 -5.99 -4.79 6.41 9.92 -1.20 -4.98 116.55 115.43 2krr n ASP 36 Ca 0.42 -0.10 -0.26 0.00 -0.53 0.00 0.00 54.79 54.32 2krr n ASP 36 Cb 1.34 -4.94 -0.05 0.00 -0.64 0.00 0.00 41.12 36.82 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 -6.24 3.79 -0.09 0.64 1.43 -0.50 -5.02 118.68 112.69 2krr s LEU 37 Ca 0.09 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2krr s LEU 37 Cb -0.04 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.81 2krr s LEU 37 CO 0.11 0.07 -0.03 0.00 0.23 0.00 0.00 176.35 176.73 2krr s ALA 38 N -1.76 0.96 -0.12 4.21 0.00 -1.26 -3.83 121.76 119.96 2krr s ALA 38 Ca 0.31 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 2krr s ALA 38 Cb -0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2krr s ALA 38 CO 0.23 -0.46 0.09 0.14 0.00 0.00 0.00 175.76 175.76 2krr s VAL 39 N 1.86 5.04 -0.04 0.00 -7.23 -1.26 -3.67 120.40 115.11 2krr s VAL 39 Ca 0.05 0.04 0.13 0.00 -1.81 0.00 0.00 61.98 60.38 2krr s VAL 39 Cb -0.12 -3.19 -0.20 0.00 0.56 0.00 0.00 36.38 33.42 2krr s VAL 39 CO -0.06 0.59 0.78 -0.37 -0.31 0.00 0.00 175.10 175.73 2krr h VAL 40 N 4.16 0.88 -1.47 1.32 -1.51 -1.31 -3.47 116.25 114.85 2krr h VAL 40 Ca -0.51 -2.64 0.09 0.00 -1.23 0.00 0.00 66.70 62.41 2krr h VAL 40 Cb 1.21 2.39 -0.28 0.00 -2.13 0.00 0.00 31.29 32.48 2krr h VAL 40 CO 0.59 0.50 0.56 -0.62 -1.23 0.00 0.00 177.57 177.37 2krr s ASP 41 N -6.11 -0.35 -0.03 4.19 -1.08 -1.22 -4.89 116.67 107.17 2krr s ASP 41 Ca -0.03 0.68 0.07 0.00 -0.52 0.00 0.00 52.55 52.74 2krr s ASP 41 Cb 0.08 0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 42.23 2krr s ASP 41 CO 0.82 -0.12 -0.24 -0.69 0.52 0.00 0.00 175.17 175.46 2krr s VAL 42 N 0.21 1.94 0.06 1.11 1.01 -1.26 -0.02 120.40 123.44 2krr s VAL 42 Ca 0.04 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.08 2krr s VAL 42 Cb -0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2krr s VAL 42 CO -0.09 0.55 -0.26 -0.60 0.00 0.00 0.00 175.10 174.70 2krr s ARG 43 N -0.40 1.69 -0.03 2.72 3.52 0.58 -4.95 118.95 122.09 2krr s ARG 43 Ca 0.04 -1.13 0.05 0.00 -0.13 0.00 0.00 55.73 54.57 2krr s ARG 43 Cb -0.11 -1.91 -0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2krr s ARG 43 CO 0.01 0.49 -0.18 0.42 -0.81 0.00 0.00 175.30 175.23 2krr s ILE 44 N -0.84 1.45 0.62 4.11 1.09 -1.26 0.03 121.20 126.40 2krr s ILE 44 Ca 0.12 -0.75 -0.10 0.00 -1.10 0.00 0.00 60.65 58.81 2krr s ILE 44 Cb -0.10 -1.23 0.16 0.00 -1.06 0.00 0.00 42.46 40.23 2krr s ILE 44 CO 0.03 0.41 0.42 0.61 -0.10 0.00 0.00 174.94 176.31 2krr n GLY 45 N 2.93 -3.40 0.09 6.18 0.00 0.11 -4.92 105.19 106.19 2krr n GLY 45 Ca -0.17 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 0.18 0.00 1.61 -0.00 -2.01 -3.22 114.93 111.49 2krr h MET 46 Ca -0.18 -0.31 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 2krr h MET 46 Cb 0.58 0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2krr h MET 46 CO 0.11 1.10 0.00 -2.37 -0.00 0.00 0.00 176.91 175.75 2krr n THR 47 N -3.44 0.78 -2.20 -0.10 5.66 -1.26 -4.87 114.28 108.85 2krr n THR 47 Ca -0.08 0.17 -0.20 0.00 -3.05 0.00 0.00 64.05 60.88 2krr n THR 47 Cb 1.01 -0.94 -0.03 0.00 -1.55 0.00 0.00 70.33 68.82 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 -1.75 -1.57 -0.00 1.09 5.12 -1.22 -4.80 116.66 113.53 2krr n ARG 48 Ca 0.04 1.04 0.02 0.00 -1.93 0.00 0.00 57.85 57.02 2krr n ARG 48 Cb 0.23 -5.60 -0.03 0.00 -1.16 0.00 0.00 32.46 25.90 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2krr n LYS 49 N -2.82 2.47 -4.02 5.56 4.81 -1.26 -3.48 118.16 119.43 2krr n LYS 49 Ca -0.23 -0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.06 2krr n LYS 49 Cb 0.68 -0.94 -0.03 0.00 0.02 0.00 0.00 35.03 34.76 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 -1.94 0.79 -0.80 5.64 -0.71 -1.26 -0.39 117.98 119.30 2krr s PHE 50 Ca -0.00 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 54.76 2krr s PHE 50 Cb 0.03 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 2krr s PHE 50 CO 0.19 -1.22 0.00 0.41 -1.34 0.00 0.00 175.22 173.26 2krr n GLY 51 N -0.54 -0.66 3.04 1.99 0.00 -0.35 0.04 105.19 108.72 2krr n GLY 51 Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.51 0.50 -0.12 1.61 1.51 0.10 -0.41 117.35 117.04 2krr s TYR 52 Ca 0.00 -0.65 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 2krr s TYR 52 Cb 0.00 -0.33 0.02 0.00 -0.11 0.00 0.00 41.96 41.54 2krr s TYR 52 CO 0.00 -0.18 -0.13 0.08 -1.11 0.00 0.00 175.55 174.21 2krr s VAL 53 N -2.06 1.39 -0.09 0.71 1.01 -0.59 -0.31 120.40 120.47 2krr s VAL 53 Ca -0.07 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2krr s VAL 53 Cb -0.05 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2krr s VAL 53 CO -0.02 0.42 0.29 -1.81 0.00 0.00 0.00 175.10 173.98 2krr s ASP 54 N 1.29 6.56 0.15 3.32 1.01 0.97 -1.46 116.67 128.51 2krr s ASP 54 Ca -0.01 0.66 0.11 0.00 0.71 0.00 0.00 52.55 54.02 2krr s ASP 54 Cb -0.14 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 2krr s ASP 54 CO -0.06 0.27 -0.25 -0.36 0.21 0.00 0.00 175.17 174.97 2krr s PHE 55 N -0.49 2.31 0.16 4.23 0.40 -0.45 -0.88 117.98 123.26 2krr s PHE 55 Ca 0.19 -0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 55.98 2krr s PHE 55 Cb -0.14 -1.21 0.07 0.00 0.51 0.00 0.00 43.02 42.25 2krr s PHE 55 CO 0.07 0.40 1.69 0.93 0.70 0.00 0.00 175.22 179.01 2krr h GLU 56 N 3.61 0.04 -4.76 0.44 5.08 -1.88 -3.40 114.58 113.70 2krr h GLU 56 Ca -0.49 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.58 2krr h GLU 56 Cb 1.18 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2krr h GLU 56 CO 0.43 0.03 -0.64 -1.12 -1.00 0.00 0.00 179.01 176.70 2krr s SER 57 N -5.23 0.99 0.66 1.42 0.01 -1.26 -4.91 113.70 105.38 2krr s SER 57 Ca -0.14 -1.27 0.41 0.00 1.31 0.00 0.00 55.95 56.27 2krr s SER 57 Cb 0.13 0.18 2.27 0.00 0.21 0.00 0.00 66.02 68.81 2krr s SER 57 CO 0.70 -0.67 2.32 0.00 0.41 0.00 0.00 173.24 176.00 2krr h ALA 58 N 2.60 1.13 0.78 1.44 0.00 -1.97 -2.69 119.26 120.55 2krr h ALA 58 Ca -0.37 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2krr h ALA 58 Cb 1.22 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2krr h ALA 58 CO 0.61 -0.03 -0.37 0.93 0.00 0.00 0.00 179.25 180.38 2krr h GLU 59 N 0.00 -1.00 -0.80 0.00 5.08 -1.97 0.78 114.58 116.66 2krr h GLU 59 Ca 0.00 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2krr h GLU 59 Cb 0.07 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2krr h GLU 59 CO -0.00 -0.65 0.36 -0.44 -1.00 0.00 0.00 179.01 177.28 2krr h ASP 60 N -1.14 1.07 0.98 1.42 3.32 -1.86 0.17 116.42 120.37 2krr h ASP 60 Ca -0.11 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 2krr h ASP 60 Cb 0.81 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.10 2krr h ASP 60 CO 0.17 0.91 -0.47 0.25 -1.72 0.00 0.00 179.24 178.39 2krr h LEU 61 N 1.15 -1.11 -1.78 1.55 6.46 -1.43 -2.45 115.31 117.71 2krr h LEU 61 Ca 0.27 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 58.04 2krr h LEU 61 Cb 0.15 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2krr h LEU 61 CO -0.03 -0.78 -0.15 -0.33 -0.62 0.00 0.00 178.44 176.54 2krr h GLU 62 N -1.35 0.00 -0.42 1.25 4.39 -0.81 -2.70 114.58 114.94 2krr h GLU 62 Ca -0.13 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.59 2krr h GLU 62 Cb 1.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 2krr h GLU 62 CO 0.22 0.15 0.24 0.87 -1.16 0.00 0.00 179.01 179.32 2krr h LYS 63 N 0.00 0.46 -0.64 2.33 1.79 -0.41 -1.68 116.57 118.42 2krr h LYS 63 Ca -0.00 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.56 2krr h LYS 63 Cb 0.28 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 2krr h LYS 63 CO 0.02 0.31 0.44 0.00 -1.08 0.00 0.00 179.45 179.13 2krr h ALA 64 N 1.20 2.11 0.00 3.86 0.00 -1.09 0.27 119.26 125.61 2krr h ALA 64 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2krr h ALA 64 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2krr h ALA 64 CO -0.10 -0.27 -0.12 -0.07 0.00 0.00 0.00 179.25 178.70 2krr h LEU 65 N 0.36 0.00 0.00 0.00 4.07 -1.38 -3.29 115.31 115.07 2krr h LEU 65 Ca 0.31 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.18 2krr h LEU 65 Cb 0.71 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2krr h LEU 65 CO -0.08 0.12 -0.53 -0.33 -1.08 0.00 0.00 178.44 176.53 2krr h GLU 66 N 0.00 0.00 -7.11 1.13 4.39 -0.18 -3.47 114.58 109.34 2krr h GLU 66 Ca -0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 2krr h GLU 66 Cb 0.79 0.00 0.21 0.00 -0.10 0.00 0.00 28.75 29.65 2krr h GLU 66 CO 0.02 0.75 -0.05 -0.48 -1.16 0.00 0.00 179.01 178.08 2krr s LEU 67 N -8.13 -0.41 0.26 1.33 0.05 -0.32 -5.07 118.68 106.38 2krr s LEU 67 Ca -0.20 0.99 -0.05 0.00 0.05 0.00 0.00 54.13 54.92 2krr s LEU 67 Cb 0.01 -2.57 -0.02 0.00 -2.05 0.00 0.00 46.19 41.56 2krr s LEU 67 CO 0.51 -4.92 0.34 0.28 -0.55 0.00 0.00 176.35 172.00 2krr s THR 68 N -2.42 0.00 0.00 5.48 -1.32 -1.26 -4.95 115.64 111.18 2krr s THR 68 Ca 0.69 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2krr s THR 68 Cb -0.16 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 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 -0.40 0.84 3.54 6.08 0.00 -1.26 -5.04 105.19 108.95 2krr n GLY 69 Ca 0.01 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.12 4.43 0.02 0.99 1.43 -1.26 -5.06 118.68 118.11 2krr s LEU 70 Ca 0.00 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 2krr s LEU 70 Cb 0.00 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 44.09 2krr s LEU 70 CO 0.00 -0.22 0.36 -1.59 0.23 0.00 0.00 176.35 175.13 2krr s LYS 71 N 1.76 0.81 -0.06 1.70 0.00 -1.26 -2.32 119.74 120.37 2krr s LYS 71 Ca 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 55.97 55.66 2krr s LYS 71 Cb -0.17 0.36 0.02 0.00 0.00 0.00 0.00 37.83 38.03 2krr s LYS 71 CO 0.11 -0.25 0.19 0.14 0.00 0.00 0.00 175.35 175.53 2krr s VAL 72 N -2.01 0.02 -2.05 1.79 -7.23 0.11 -4.75 120.40 106.28 2krr s VAL 72 Ca -0.08 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 2krr s VAL 72 Cb -0.02 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.60 2krr s VAL 72 CO 0.01 -0.07 0.00 0.49 -0.31 0.00 0.00 175.10 175.21 2krr n PHE 73 N 2.66 -0.21 0.00 2.82 3.72 -1.26 -1.97 117.46 123.23 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 -3.44 0.00 0.00 -0.94 0.00 0.00 39.48 35.68 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 -0.47 3.03 3.79 1.37 0.00 -1.26 -5.04 105.19 106.62 2krr n GLY 74 Ca -0.20 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 5.27 -0.36 1.61 -0.87 -0.83 -5.02 114.94 114.75 2krr s ASN 75 Ca 0.00 1.80 -0.12 0.00 -1.57 0.00 0.00 52.86 52.97 2krr s ASN 75 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 2krr s ASN 75 CO 0.00 -1.51 0.23 -0.70 -2.57 0.00 0.00 177.10 172.54 2krr s GLU 76 N -4.52 3.19 0.77 -0.60 2.12 -1.26 0.05 118.70 118.45 2krr s GLU 76 Ca 0.62 -0.84 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 2krr s GLU 76 Cb -0.17 -3.78 0.06 0.00 0.26 0.00 0.00 34.13 30.51 2krr s GLU 76 CO 0.47 -0.56 1.13 0.96 -0.54 0.00 0.00 175.26 176.71 2krr s ILE 77 N 1.65 2.84 -0.13 -3.70 -5.25 -0.98 -4.76 121.20 110.88 2krr s ILE 77 Ca 0.05 0.33 0.03 0.00 -0.99 0.00 0.00 60.65 60.06 2krr s ILE 77 Cb -0.18 -2.74 0.01 0.00 2.95 0.00 0.00 42.46 42.50 2krr s ILE 77 CO 0.09 -0.31 -0.21 -0.54 -1.79 0.00 0.00 174.94 172.18 2krr s LYS 78 N -4.47 2.89 -0.09 0.37 -0.14 0.98 -4.81 119.74 114.47 2krr s LYS 78 Ca 0.66 -0.81 -0.12 0.00 -1.36 0.00 0.00 55.97 54.34 2krr s LYS 78 Cb -0.21 -2.32 -0.05 0.00 -1.68 0.00 0.00 37.83 33.57 2krr s LYS 78 CO 0.51 0.01 0.28 -0.51 -0.76 0.00 0.00 175.35 174.88 2krr s LEU 79 N 0.76 4.37 0.23 3.17 1.02 -1.26 0.20 118.68 127.17 2krr s LEU 79 Ca -0.09 0.65 -0.14 0.00 0.02 0.00 0.00 54.13 54.57 2krr s LEU 79 Cb -0.16 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 43.70 2krr s LEU 79 CO -0.00 0.27 0.48 -1.61 0.02 0.00 0.00 176.35 175.51 2krr s GLU 80 N -0.50 1.50 -0.13 1.70 0.41 0.28 -4.99 118.70 116.98 2krr s GLU 80 Ca 0.18 -1.17 -0.03 0.00 -0.41 0.00 0.00 54.97 53.54 2krr s GLU 80 Cb -0.14 0.48 -0.03 0.00 -1.78 0.00 0.00 34.13 32.66 2krr s GLU 80 CO 0.07 -0.63 -0.01 0.21 -0.49 0.00 0.00 175.26 174.41 2krr s LYS 81 N -3.99 3.39 0.07 1.61 2.47 -1.26 0.07 119.74 122.11 2krr s LYS 81 Ca 0.19 -0.46 -0.01 0.00 -1.56 0.00 0.00 55.97 54.13 2krr s LYS 81 Cb -0.01 -2.88 0.02 0.00 -1.46 0.00 0.00 37.83 33.50 2krr s LYS 81 CO 0.06 0.45 0.06 -0.35 0.16 0.00 0.00 175.35 175.73 2krr n PRO 82 N 2.93 -1.15 -2.54 4.03 -0.04 -1.26 -4.84 135.00 132.13 2krr n PRO 82 Ca -0.18 -0.10 -0.36 0.00 -0.04 0.00 0.00 63.50 62.82 2krr n PRO 82 Cb 0.53 -0.10 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 2krr n PRO 82 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2krr s LYS 83 N -3.14 4.06 0.00 0.54 2.36 -1.26 -4.98 119.74 117.32 2krr s LYS 83 Ca 0.04 1.47 0.00 0.00 -2.55 0.00 0.00 55.97 54.93 2krr s LYS 83 Cb -0.00 -2.42 0.00 0.00 -1.05 0.00 0.00 37.83 34.36 2krr s LYS 83 CO 0.03 -0.22 0.00 0.41 1.55 0.00 0.00 175.35 177.12 2krr n GLY 84 N 0.17 5.39 3.38 5.54 0.00 -1.26 -5.17 105.19 113.24 2krr n GLY 84 Ca 0.06 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 2krr n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 85 N 1.13 0.46 -0.17 1.61 1.02 -1.26 -5.13 119.74 117.39 2krr s LYS 85 Ca 0.00 1.00 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 2krr s LYS 85 Cb 0.00 0.17 0.14 0.00 -0.52 0.00 0.00 37.83 37.62 2krr s LYS 85 CO 0.00 -0.18 1.08 0.34 -0.92 0.00 0.00 175.35 175.66 2krr s ASP 86 N 1.87 -0.28 0.60 2.83 2.15 -1.26 -5.01 116.67 117.57 2krr s ASP 86 Ca -0.07 0.25 0.30 0.00 0.43 0.00 0.00 52.55 53.45 2krr s ASP 86 Cb -0.09 0.24 1.68 0.00 -0.30 0.00 0.00 42.92 44.45 2krr s ASP 86 CO -0.15 -0.30 2.07 -1.28 -0.17 0.00 0.00 175.17 175.34 2krr h SER 87 N 2.35 0.00 0.58 -0.34 0.87 -2.04 0.23 113.55 115.19 2krr h SER 87 Ca -0.16 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2krr h SER 87 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2krr h SER 87 CO 0.28 0.00 -0.01 0.11 -0.53 0.00 0.00 176.83 176.68 2krr h LYS 88 N 0.00 0.00 0.00 2.24 1.57 -2.02 -2.18 116.57 116.18 2krr h LYS 88 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2krr h LYS 88 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2krr h LYS 88 CO -0.00 0.01 0.00 1.57 -0.57 0.00 0.00 179.45 180.46 2krr h LYS 89 N 0.00 0.00 0.03 3.15 2.10 -0.94 -2.42 116.57 118.50 2krr h LYS 89 Ca -0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2krr h LYS 89 Cb 0.30 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.58 2krr h LYS 89 CO 0.00 0.00 -0.52 0.93 -2.00 0.00 0.00 179.45 177.87 2krr h GLU 90 N 0.00 -0.65 0.03 0.07 5.08 -1.58 0.15 114.58 117.68 2krr h GLU 90 Ca 0.00 0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.14 2krr h GLU 90 Cb 0.07 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2krr h GLU 90 CO 0.00 -0.43 -1.44 0.07 -1.00 0.00 0.00 179.01 176.21 2krr h ARG 91 N -0.67 0.06 0.00 2.33 0.11 -1.79 -3.29 114.38 111.13 2krr h ARG 91 Ca 0.01 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.99 2krr h ARG 91 Cb 0.71 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2krr h ARG 91 CO -0.33 0.80 0.00 -0.44 0.10 0.00 0.00 179.97 180.11 2krr h ASP 92 N 0.02 0.00 0.64 0.08 5.19 -1.31 -0.28 116.42 120.76 2krr h ASP 92 Ca -0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2krr h ASP 92 Cb 1.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.44 2krr h ASP 92 CO 0.11 0.00 -0.18 0.00 -3.12 0.00 0.00 179.24 176.06 2krr n ALA 93 N -1.83 2.82 -0.23 3.45 0.00 0.51 -3.47 120.51 121.75 2krr n ALA 93 Ca -0.00 -0.23 0.28 0.00 0.00 0.00 0.00 53.44 53.50 2krr n ALA 93 Cb 0.12 -1.33 0.69 0.00 0.00 0.00 0.00 19.45 18.93 2krr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2krr h ARG 94 N 0.18 0.08 -5.71 0.00 9.65 -1.23 -3.39 114.38 113.96 2krr h ARG 94 Ca 0.00 -0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 58.22 2krr h ARG 94 Cb 0.45 -0.02 -0.17 0.00 -1.39 0.00 0.00 29.97 28.84 2krr h ARG 94 CO 0.00 0.05 -0.63 0.99 2.80 0.00 0.00 179.97 183.18 2krr s THR 95 N -5.07 4.21 0.28 0.20 2.01 -1.25 -2.26 115.64 113.76 2krr s THR 95 Ca -0.06 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.74 2krr s THR 95 Cb 0.22 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 2krr s THR 95 CO 0.78 0.56 0.28 -0.76 -0.69 0.00 0.00 174.62 174.79 2krr s LEU 96 N -0.37 3.84 0.05 4.42 2.01 0.55 -4.02 118.68 125.15 2krr s LEU 96 Ca 0.07 -0.27 0.08 0.00 0.01 0.00 0.00 54.13 54.01 2krr s LEU 96 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.63 2krr s LEU 96 CO 0.02 -0.18 -0.22 -0.22 1.01 0.00 0.00 176.35 176.76 2krr s LEU 97 N -3.95 2.17 0.05 1.79 2.96 1.00 -1.75 118.68 120.95 2krr s LEU 97 Ca 0.37 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 2krr s LEU 97 Cb -0.08 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 2krr s LEU 97 CO 0.27 0.17 -0.25 0.00 -1.32 0.00 0.00 176.35 175.22 2krr s ALA 98 N -0.82 2.33 0.26 5.97 0.00 0.72 -0.96 121.76 129.27 2krr s ALA 98 Ca 0.08 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2krr s ALA 98 Cb -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2krr s ALA 98 CO 0.02 0.54 0.19 0.15 0.00 0.00 0.00 175.76 176.66 2krr s LYS 99 N -1.31 1.46 -0.83 0.00 1.02 -1.24 -2.09 119.74 116.76 2krr s LYS 99 Ca 0.12 -1.81 -0.05 0.00 0.02 0.00 0.00 55.97 54.25 2krr s LYS 99 Cb -0.10 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 2krr s LYS 99 CO 0.03 -0.50 0.66 -1.71 -0.92 0.00 0.00 175.35 172.90 2krr n ASN 100 N -0.84 -4.58 -4.72 2.83 5.15 -1.26 -1.18 115.26 110.65 2krr n ASN 100 Ca 0.04 -0.30 -0.33 0.00 -0.60 0.00 0.00 54.58 53.40 2krr n ASN 100 Cb 0.64 -3.21 -0.08 0.00 -0.53 0.00 0.00 39.78 36.61 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 -4.68 3.66 0.88 1.20 1.43 -1.26 -4.13 118.68 115.78 2krr s LEU 101 Ca 0.33 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2krr s LEU 101 Cb -0.14 -2.12 0.12 0.00 0.03 0.00 0.00 46.19 44.08 2krr s LEU 101 CO 0.40 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 176.19 2krr s PRO 102 N -1.65 1.37 0.00 1.29 0.04 -1.26 -4.31 135.00 130.47 2krr s PRO 102 Ca 0.21 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.33 2krr s PRO 102 Cb -0.12 -1.82 1.09 0.00 0.04 0.00 0.00 34.50 33.70 2krr s PRO 102 CO 0.12 -2.18 1.69 0.66 0.04 0.00 0.00 177.00 177.34 2krr n TYR 103 N -3.84 0.00 0.46 0.56 4.01 -1.26 -2.26 117.16 114.83 2krr n TYR 103 Ca 0.07 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.87 2krr n TYR 103 Cb 0.55 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.28 1.36 -1.03 -0.72 2.85 -1.26 -1.22 118.16 116.86 2krr n LYS 104 Ca 0.10 -0.87 -0.34 0.00 -1.05 0.00 0.00 58.31 56.16 2krr n LYS 104 Cb 0.17 -1.15 0.12 0.00 -0.65 0.00 0.00 35.03 33.52 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 0.15 1.30 -4.27 0.58 3.14 -0.96 -4.96 118.33 113.31 2krr n VAL 105 Ca 0.05 -0.23 -0.16 0.00 -2.96 0.00 0.00 64.34 61.05 2krr n VAL 105 Cb 0.25 -0.93 -0.10 0.00 -1.06 0.00 0.00 33.84 32.00 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 -2.18 0.23 0.06 1.55 2.01 -1.26 -4.70 115.64 111.35 2krr s THR 106 Ca 0.67 -2.00 -0.37 0.00 0.31 0.00 0.00 61.69 60.30 2krr s THR 106 Cb -0.28 -2.54 -0.21 0.00 0.01 0.00 0.00 72.50 69.48 2krr s THR 106 CO 0.57 0.00 1.58 1.56 -0.69 0.00 0.00 174.62 177.64 2krr h GLN 107 N 2.41 -1.24 -0.99 4.92 4.20 -1.99 -2.73 115.11 119.70 2krr h GLN 107 Ca -0.35 0.08 0.22 0.00 0.06 0.00 0.00 58.65 58.66 2krr h GLN 107 Cb 1.25 0.28 -0.09 0.00 0.30 0.00 0.00 27.48 29.22 2krr h GLN 107 CO 0.53 -0.83 0.62 0.22 -0.67 0.00 0.00 178.83 178.71 2krr h ASP 108 N -1.28 0.59 0.07 1.46 1.82 -1.98 -1.06 116.42 116.05 2krr h ASP 108 Ca -0.13 0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.60 2krr h ASP 108 Cb 0.99 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.94 2krr h ASP 108 CO 0.21 0.19 -0.32 -0.33 -1.61 0.00 0.00 179.24 177.38 2krr h GLU 109 N 0.57 -0.44 0.00 0.28 4.39 -1.90 -1.32 114.58 116.16 2krr h GLU 109 Ca 0.56 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.27 2krr h GLU 109 Cb 1.14 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2krr h GLU 109 CO -0.31 -0.29 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.09 2krr h LEU 110 N -0.46 0.00 -0.68 1.33 4.07 -1.29 -0.81 115.31 117.47 2krr h LEU 110 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2krr h LEU 110 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2krr h LEU 110 CO -0.18 0.09 0.00 2.29 -1.08 0.00 0.00 178.44 179.56 2krr n LYS 111 N -4.09 0.11 0.26 1.13 2.85 -0.45 -2.09 118.16 115.87 2krr n LYS 111 Ca -0.03 0.47 0.18 0.00 -1.05 0.00 0.00 58.31 57.88 2krr n LYS 111 Cb 0.17 -1.77 0.91 0.00 -0.65 0.00 0.00 35.03 33.69 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 5.08 -0.54 0.52 114.58 118.06 2krr h GLU 112 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2krr h GLU 112 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2krr h GLU 112 CO 0.00 0.00 -2.00 1.33 -1.00 0.00 0.00 179.01 177.34 2krr n VAL 113 N -2.76 0.99 -1.54 3.13 0.24 -0.89 -4.64 118.33 112.86 2krr n VAL 113 Ca -0.02 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.34 61.67 2krr n VAL 113 Cb 0.10 -1.52 0.06 0.00 -1.47 0.00 0.00 33.84 31.02 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 -3.52 3.07 0.13 6.34 1.16 -1.17 -4.69 117.46 118.78 2krr n PHE 114 Ca -0.34 -2.77 0.17 0.00 -1.87 0.00 0.00 57.45 52.64 2krr n PHE 114 Cb 0.78 -1.10 0.73 0.00 -1.61 0.00 0.00 39.48 38.28 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 2.04 0.00 0.00 3.97 4.81 -0.22 0.45 114.58 125.63 2krr h GLU 115 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2krr h GLU 115 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2krr h GLU 115 CO 1.33 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 179.36 2krr n ASP 116 N -4.17 0.13 -4.28 1.04 8.00 -1.26 -4.88 116.55 111.12 2krr n ASP 116 Ca 0.04 0.51 -0.33 0.00 0.71 0.00 0.00 54.79 55.73 2krr n ASP 116 Cb 0.40 -0.55 0.15 0.00 -0.02 0.00 0.00 41.12 41.11 2krr n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krr n ALA 117 N -1.55 -4.02 0.01 2.24 0.00 0.16 -4.97 120.51 112.38 2krr n ALA 117 Ca 0.06 -1.15 -0.02 0.00 0.00 0.00 0.00 53.44 52.33 2krr n ALA 117 Cb 0.33 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.87 -0.14 -2.64 0.00 0.00 -1.86 -3.49 119.26 109.26 2krr h ALA 118 Ca -0.50 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 2krr h ALA 118 Cb 1.35 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.00 2krr h ALA 118 CO 0.36 -0.13 -0.70 -1.83 0.00 0.00 0.00 179.25 176.94 2krr s GLU 119 N -1.85 0.60 -0.02 0.00 -1.05 -0.74 -5.04 118.70 110.60 2krr s GLU 119 Ca -0.02 -1.01 0.05 0.00 -0.15 0.00 0.00 54.97 53.84 2krr s GLU 119 Cb 0.00 -0.08 -0.01 0.00 -0.44 0.00 0.00 34.13 33.60 2krr s GLU 119 CO 0.05 -0.03 -0.17 0.42 0.95 0.00 0.00 175.26 176.48 2krr s ILE 120 N -2.66 1.38 -0.21 1.83 1.09 -1.26 -2.03 121.20 119.34 2krr s ILE 120 Ca -0.01 -0.74 -0.04 0.00 -1.10 0.00 0.00 60.65 58.76 2krr s ILE 120 Cb -0.01 -1.15 0.08 0.00 -1.06 0.00 0.00 42.46 40.32 2krr s ILE 120 CO -0.04 0.39 0.15 -0.13 -0.10 0.00 0.00 174.94 175.21 2krr s ARG 121 N -0.36 0.14 0.46 2.79 1.81 0.97 -4.99 118.95 119.77 2krr s ARG 121 Ca 0.05 -0.12 -0.06 0.00 -1.72 0.00 0.00 55.73 53.89 2krr s ARG 121 Cb -0.07 -1.44 -0.04 0.00 -0.45 0.00 0.00 34.95 32.95 2krr s ARG 121 CO -0.00 -0.77 0.77 -0.51 -0.68 0.00 0.00 175.30 174.10 2krr s LEU 122 N 2.19 3.69 -0.34 2.53 2.01 -1.26 -0.35 118.68 127.16 2krr s LEU 122 Ca 0.05 0.94 0.02 0.00 0.01 0.00 0.00 54.13 55.15 2krr s LEU 122 Cb -0.16 -3.87 0.09 0.00 0.01 0.00 0.00 46.19 42.26 2krr s LEU 122 CO -0.18 -0.52 0.06 -0.69 1.01 0.00 0.00 176.35 176.03 2krr s VAL 123 N -2.64 2.54 0.02 -1.59 1.01 -1.24 -4.87 120.40 113.63 2krr s VAL 123 Ca 0.48 -2.13 0.02 0.00 0.00 0.00 0.00 61.98 60.35 2krr s VAL 123 Cb -0.10 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2krr s VAL 123 CO 0.42 -0.52 -0.07 -0.94 0.00 0.00 0.00 175.10 174.00 2krr s SER 124 N 1.15 0.74 0.04 3.32 1.04 -1.26 -2.07 113.70 116.66 2krr s SER 124 Ca 0.07 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.23 2krr s SER 124 Cb -0.20 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 2krr s SER 124 CO -0.06 -0.06 -0.10 -0.75 0.98 0.00 0.00 173.24 173.25 2krr s LYS 125 N -0.79 0.68 -0.80 4.02 2.47 0.75 -4.75 119.74 121.31 2krr s LYS 125 Ca -0.03 -0.69 0.00 0.00 -1.56 0.00 0.00 55.97 53.69 2krr s LYS 125 Cb -0.06 -0.59 0.00 0.00 -1.46 0.00 0.00 37.83 35.73 2krr s LYS 125 CO 0.00 0.14 0.00 -3.47 0.16 0.00 0.00 175.35 172.18 2krr n ASP 126 N 1.83 -5.14 -0.11 1.43 2.03 -1.26 -1.98 116.55 113.35 2krr n ASP 126 Ca -0.19 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2krr n ASP 126 Cb 0.55 -3.30 0.00 0.00 -0.72 0.00 0.00 41.12 37.65 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 -0.42 0.87 3.44 0.27 0.00 -1.26 -5.07 105.19 103.01 2krr n GLY 127 Ca -0.08 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 2krr n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 128 N -3.28 0.89 0.88 1.61 0.00 -0.84 -5.07 119.74 113.93 2krr s LYS 128 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 55.97 56.11 2krr s LYS 128 Cb 0.00 0.42 0.13 0.00 0.00 0.00 0.00 37.83 38.37 2krr s LYS 128 CO 0.00 -0.25 1.12 0.45 0.00 0.00 0.00 175.35 176.68 2krr s SER 129 N -0.95 3.30 0.00 0.03 0.15 -0.36 -0.18 113.70 115.69 2krr s SER 129 Ca -0.10 2.03 0.06 0.00 0.70 0.00 0.00 55.95 58.65 2krr s SER 129 Cb -0.02 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 2krr s SER 129 CO 0.07 -2.84 0.32 0.29 1.20 0.00 0.00 173.24 172.28 2krr n LYS 130 N -4.05 4.36 0.00 5.44 4.76 -0.88 -4.71 118.16 123.08 2krr n LYS 130 Ca 0.10 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2krr n LYS 130 Cb 0.53 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 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 1.07 1.45 3.67 0.72 0.00 -1.26 -5.06 105.19 105.78 2krr n GLY 131 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.01 -0.30 -0.61 -4.36 -1.26 -4.19 121.20 108.49 2krr s ILE 132 Ca 0.00 -0.83 -0.10 0.00 -0.26 0.00 0.00 60.65 59.45 2krr s ILE 132 Cb 0.00 -1.75 0.16 0.00 1.25 0.00 0.00 42.46 42.11 2krr s ILE 132 CO 0.00 -0.03 0.78 0.00 0.24 0.00 0.00 174.94 175.93 2krr s ALA 133 N -3.89 -2.42 -0.16 2.27 0.00 -0.89 -3.64 121.76 113.03 2krr s ALA 133 Ca 0.10 2.08 -0.10 0.00 0.00 0.00 0.00 51.96 54.04 2krr s ALA 133 Cb -0.03 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 2krr s ALA 133 CO 0.01 -1.06 0.17 0.71 0.00 0.00 0.00 175.76 175.60 2krr s TYR 134 N 2.76 3.48 -0.03 0.00 2.02 0.53 -0.20 117.35 125.90 2krr s TYR 134 Ca 0.01 0.46 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 2krr s TYR 134 Cb -0.11 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 2krr s TYR 134 CO -0.18 0.41 -0.07 0.96 -1.57 0.00 0.00 175.55 175.10 2krr s ILE 135 N -0.03 0.68 -0.45 2.71 -0.00 -0.72 -0.02 121.20 123.36 2krr s ILE 135 Ca 0.12 -0.26 -0.13 0.00 -0.00 0.00 0.00 60.65 60.38 2krr s ILE 135 Cb -0.12 -0.64 0.08 0.00 -0.00 0.00 0.00 42.46 41.78 2krr s ILE 135 CO 0.01 0.23 0.35 -0.70 -0.00 0.00 0.00 174.94 174.83 2krr s GLU 136 N 0.48 2.82 0.87 0.37 2.12 -0.86 -0.33 118.70 124.17 2krr s GLU 136 Ca -0.07 -1.42 -0.14 0.00 0.36 0.00 0.00 54.97 53.70 2krr s GLU 136 Cb -0.11 -4.00 0.13 0.00 0.26 0.00 0.00 34.13 30.41 2krr s GLU 136 CO 0.01 -1.02 1.24 -0.06 -0.54 0.00 0.00 175.26 174.88 2krr s PHE 137 N 1.55 2.40 0.19 5.30 0.40 -0.96 -1.80 117.98 125.07 2krr s PHE 137 Ca 0.04 0.57 0.04 0.00 -0.60 0.00 0.00 56.93 56.98 2krr s PHE 137 Cb -0.24 -3.75 0.09 0.00 0.51 0.00 0.00 43.02 39.63 2krr s PHE 137 CO 0.04 -2.13 1.45 0.87 0.70 0.00 0.00 175.22 176.15 2krr h LYS 138 N -1.29 0.18 -2.23 0.44 6.56 -1.94 -3.45 116.57 114.83 2krr h LYS 138 Ca -0.45 -0.17 -0.07 0.00 -1.06 0.00 0.00 60.65 58.90 2krr h LYS 138 Cb 1.29 0.04 -0.21 0.00 -0.57 0.00 0.00 32.23 32.78 2krr h LYS 138 CO 0.55 0.87 0.04 -0.08 -2.06 0.00 0.00 179.45 178.76 2krr s THR 139 N -3.37 0.00 0.59 -0.16 -1.32 -1.26 -5.02 115.64 105.11 2krr s THR 139 Ca -0.03 -0.03 0.29 0.00 -1.21 0.00 0.00 61.69 60.71 2krr s THR 139 Cb 0.11 -0.88 0.37 0.00 -1.51 0.00 0.00 72.50 70.59 2krr s THR 139 CO 0.81 -0.02 1.90 -0.08 -2.21 0.00 0.00 174.62 175.02 2krr h GLU 140 N 4.63 0.00 -0.12 7.08 4.81 -1.81 0.32 114.58 129.48 2krr h GLU 140 Ca -0.28 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.75 2krr h GLU 140 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2krr h GLU 140 CO 0.18 0.00 -0.73 0.00 -0.73 0.00 0.00 179.01 177.73 2krr h ALA 141 N 1.45 0.49 0.00 2.92 0.00 -1.95 -0.56 119.26 121.61 2krr h ALA 141 Ca 0.20 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2krr h ALA 141 Cb 1.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2krr h ALA 141 CO -0.00 0.73 -0.59 0.22 0.00 0.00 0.00 179.25 179.60 2krr h ASP 142 N 0.40 0.00 0.00 0.00 3.58 -0.91 -3.11 116.42 116.38 2krr h ASP 142 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2krr h ASP 142 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2krr h ASP 142 CO 0.14 0.09 -0.21 0.00 -2.88 0.00 0.00 179.24 176.37 2krr h ALA 143 N 1.91 0.00 0.00 -0.78 0.00 -0.80 -2.92 119.26 116.67 2krr h ALA 143 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2krr h ALA 143 Cb 1.08 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2krr h ALA 143 CO 0.01 0.21 0.01 1.05 0.00 0.00 0.00 179.25 180.54 2krr h GLU 144 N -0.93 0.00 0.00 0.00 4.11 -1.28 0.11 114.58 116.59 2krr h GLU 144 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 2krr h GLU 144 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2krr h GLU 144 CO 0.00 0.00 -1.06 -0.22 0.07 0.00 0.00 179.01 177.80 2krr h LYS 145 N 0.00 0.00 0.13 1.06 3.64 -1.68 -3.05 116.57 116.67 2krr h LYS 145 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2krr h LYS 145 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2krr h LYS 145 CO 0.00 0.24 -1.69 1.15 -2.27 0.00 0.00 179.45 176.88 2krr h THR 146 N 0.00 0.86 0.00 1.00 2.02 -0.68 -3.09 112.91 113.02 2krr h THR 146 Ca -0.08 -2.39 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 2krr h THR 146 Cb 1.37 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 70.39 2krr h THR 146 CO 0.04 0.78 -0.12 -0.26 0.37 0.00 0.00 175.52 176.33 2krr h PHE 147 N -0.12 0.00 0.00 3.16 -1.00 -1.13 0.53 116.94 118.38 2krr h PHE 147 Ca -0.36 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.33 2krr h PHE 147 Cb 1.91 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.45 2krr h PHE 147 CO 0.10 0.12 -0.92 1.05 -1.61 0.00 0.00 178.31 177.05 2krr h GLU 148 N 0.00 0.00 0.01 1.51 -0.00 -1.66 -2.65 114.58 111.78 2krr h GLU 148 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 58.97 2krr h GLU 148 Cb 0.74 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.43 2krr h GLU 148 CO 0.02 0.22 -2.43 0.39 -0.00 0.00 0.00 179.01 177.21 2krr n GLU 149 N -2.93 0.66 0.08 1.06 1.02 -1.10 -4.44 120.64 114.99 2krr n GLU 149 Ca -0.03 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 2krr n GLU 149 Cb 0.70 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 2krr n GLU 149 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2krr h LYS 150 N 0.00 0.19 -6.06 3.49 1.79 -0.10 -3.46 116.57 112.43 2krr h LYS 150 Ca -0.56 -0.22 -0.78 0.00 -2.18 0.00 0.00 60.65 56.91 2krr h LYS 150 Cb 1.96 0.06 0.04 0.00 -1.58 0.00 0.00 32.23 32.72 2krr h LYS 150 CO -0.06 0.97 0.24 0.94 -1.08 0.00 0.00 179.45 180.46 2krr n GLN 151 N -3.64 0.27 0.00 3.15 7.27 -1.00 -2.89 117.38 120.55 2krr n GLN 151 Ca -0.04 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2krr n GLN 151 Cb 0.82 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.84 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 2.09 1.06 3.75 1.69 0.00 -1.26 -5.00 105.19 107.52 2krr n GLY 152 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 2.92 -0.18 2.61 -1.32 -1.14 -4.93 115.64 111.60 2krr s THR 153 Ca 0.00 0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.76 2krr s THR 153 Cb 0.00 -2.85 -0.01 0.00 -1.51 0.00 0.00 72.50 68.13 2krr s THR 153 CO 0.00 -0.39 -0.09 -1.61 -2.21 0.00 0.00 174.62 170.32 2krr s GLU 154 N -4.98 3.36 -0.05 7.08 2.02 -1.26 -3.08 118.70 121.79 2krr s GLU 154 Ca 0.62 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.96 2krr s GLU 154 Cb -0.17 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.26 2krr s GLU 154 CO 0.56 -0.03 -0.04 0.42 0.02 0.00 0.00 175.26 176.20 2krr s ILE 155 N 1.00 0.49 -1.66 -1.63 1.09 0.14 -4.77 121.20 115.86 2krr s ILE 155 Ca -0.01 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 2krr s ILE 155 Cb -0.15 -0.54 0.00 0.00 -1.06 0.00 0.00 42.46 40.71 2krr s ILE 155 CO -0.01 0.23 0.00 -0.67 -0.10 0.00 0.00 174.94 174.39 2krr n ASP 156 N 4.22 -4.89 0.00 3.58 2.03 -1.26 -1.95 116.55 118.29 2krr n ASP 156 Ca -0.22 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2krr n ASP 156 Cb 0.51 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.14 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 -1.05 3.03 4.00 0.27 0.00 -1.26 -5.03 105.19 105.14 2krr n GLY 157 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.18 2.24 -0.37 1.61 1.70 -0.82 -5.05 118.95 118.08 2krr s ARG 158 Ca 0.00 -1.16 -0.05 0.00 -0.47 0.00 0.00 55.73 54.05 2krr s ARG 158 Cb 0.00 -2.51 0.07 0.00 -0.57 0.00 0.00 34.95 31.94 2krr s ARG 158 CO 0.00 -0.93 0.16 -1.12 -1.08 0.00 0.00 175.30 172.33 2krr s SER 159 N -4.57 5.30 0.33 -2.89 0.01 -1.26 0.23 113.70 110.85 2krr s SER 159 Ca 0.61 -1.53 -0.28 0.00 1.31 0.00 0.00 55.95 56.07 2krr s SER 159 Cb -0.08 -1.86 -0.09 0.00 0.21 0.00 0.00 66.02 64.20 2krr s SER 159 CO 0.40 -0.44 1.14 0.27 0.41 0.00 0.00 173.24 175.02 2krr s ILE 160 N 1.30 3.32 0.69 1.44 -4.36 -1.18 -4.93 121.20 117.49 2krr s ILE 160 Ca 0.02 1.24 0.00 0.00 -0.26 0.00 0.00 60.65 61.65 2krr s ILE 160 Cb -0.22 -3.76 0.14 0.00 1.25 0.00 0.00 42.46 39.87 2krr s ILE 160 CO -0.00 0.23 0.95 -1.20 0.24 0.00 0.00 174.94 175.15 2krr n SER 161 N 0.74 1.34 -3.70 4.36 7.64 -0.33 -4.02 113.62 119.65 2krr n SER 161 Ca 0.01 -2.12 -0.11 0.00 1.01 0.00 0.00 58.87 57.66 2krr n SER 161 Cb 0.45 -0.61 -0.11 0.00 -1.01 0.00 0.00 64.21 62.94 2krr n SER 161 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2krr s LEU 162 N 0.00 0.03 0.21 -3.43 1.43 -1.26 -3.61 118.68 112.04 2krr s LEU 162 Ca 0.63 0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 54.50 2krr s LEU 162 Cb -0.04 1.30 -0.02 0.00 0.03 0.00 0.00 46.19 47.47 2krr s LEU 162 CO 0.42 -0.18 0.31 -0.31 0.23 0.00 0.00 176.35 176.82 2krr s TYR 163 N 1.22 0.63 -0.02 0.29 1.51 -0.13 -4.97 117.35 115.87 2krr s TYR 163 Ca -0.08 -0.94 0.07 0.00 -1.01 0.00 0.00 57.07 55.10 2krr s TYR 163 Cb -0.08 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.64 2krr s TYR 163 CO -0.11 -0.81 -0.22 1.52 -1.11 0.00 0.00 175.55 174.82 2krr s TYR 164 N -4.05 2.45 -0.29 2.71 -0.85 -1.26 -0.00 117.35 116.05 2krr s TYR 164 Ca 0.26 -0.35 -0.15 0.00 -0.52 0.00 0.00 57.07 56.31 2krr s TYR 164 Cb 0.03 -1.53 0.13 0.00 0.38 0.00 0.00 41.96 40.96 2krr s TYR 164 CO 0.07 0.04 0.85 -0.08 -1.52 0.00 0.00 175.55 174.92 2krr s THR 165 N -0.66 -0.22 -1.04 -3.49 -1.32 -1.26 -4.88 115.64 102.78 2krr s THR 165 Ca 0.11 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.67 2krr s THR 165 Cb -0.10 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.96 2krr s THR 165 CO -0.00 0.00 0.77 0.61 -2.21 0.00 0.00 174.62 173.78 2krr n GLY 166 N 4.32 -0.61 1.26 6.08 0.00 -1.23 -4.74 105.19 110.27 2krr n GLY 166 Ca -0.17 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.77 2krr n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2krr n GLU 167 N 0.47 -2.91 -0.71 1.61 1.02 -1.26 -4.94 120.64 113.92 2krr n GLU 167 Ca 0.05 2.38 -0.20 0.00 -0.02 0.00 0.00 57.16 59.36 2krr n GLU 167 Cb 0.21 -3.40 0.17 0.00 -0.02 0.00 0.00 31.44 28.40 2krr n GLU 167 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2krr n PRO 168 N -4.04 -2.46 -0.59 3.49 -0.04 -1.26 -5.03 135.00 125.06 2krr n PRO 168 Ca -0.08 -1.19 -0.31 0.00 -0.04 0.00 0.00 63.50 61.88 2krr n PRO 168 Cb 0.60 -1.11 0.28 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.77 -4.18 0.00 0.54 5.02 -1.26 -4.19 118.16 110.32 2krr n LYS 169 Ca 0.10 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 2krr n LYS 169 Cb 0.40 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -5.43 3.21 0.23 0.72 0.00 -1.26 -4.91 105.19 97.75 2krr n GLY 170 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2krr n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2krr h GLU 171 N 2.56 0.49 0.00 1.61 4.11 -1.97 -2.88 114.58 118.50 2krr h GLU 171 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2krr h GLU 171 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2krr h GLU 171 CO 0.00 0.32 -1.37 0.41 0.07 0.00 0.00 179.01 178.44 2krr n GLY 172 N -1.28 -0.34 0.24 1.06 0.00 -1.26 -4.70 105.19 98.92 2krr n GLY 172 Ca 0.07 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.46 0.00 0.99 3.38 -1.95 -3.55 115.31 113.72 2krr h LEU 173 Ca -0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2krr h LEU 173 Cb 0.60 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2krr h LEU 173 CO 0.00 -0.20 0.00 -0.62 0.09 0.00 0.00 178.44 177.71