#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl n PHE 25 N 0.00 0.00 0.90 6.34 1.16 -1.26 -4.84 117.46 119.76 2kkl n PHE 25 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.69 2kkl n PHE 25 Cb 0.00 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 37.91 2kkl n PHE 25 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 2kkl n ARG 26 N -0.08 0.07 0.00 3.97 0.63 -1.26 -5.03 116.66 114.97 2kkl n ARG 26 Ca 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kkl n ARG 26 Cb 0.00 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.39 2kkl n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kkl n ALA 27 N -1.57 0.00 -2.85 5.13 0.00 -1.26 -4.41 120.51 115.54 2kkl n ALA 27 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2kkl n ALA 27 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.81 2kkl n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kkl n ASP 28 N -1.08 -2.77 -0.08 0.00 -0.08 -1.26 -4.93 116.55 106.35 2kkl n ASP 28 Ca 0.00 -2.96 -0.15 0.00 -1.51 0.00 0.00 54.79 50.17 2kkl n ASP 28 Cb 0.00 1.39 -0.05 0.00 2.34 0.00 0.00 41.12 44.80 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2kkl n PHE 29 N 2.45 0.00 0.56 -0.67 1.16 -1.26 -4.71 117.46 114.99 2kkl n PHE 29 Ca 0.17 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.83 2kkl n PHE 29 Cb 0.57 -0.56 -0.11 0.00 -1.61 0.00 0.00 39.48 37.77 2kkl n PHE 29 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 2kkl n LEU 30 N -4.08 0.56 -4.79 5.98 -0.00 -1.26 -4.98 117.00 108.43 2kkl n LEU 30 Ca -0.26 -0.34 -0.31 0.00 -0.00 0.00 0.00 56.01 55.11 2kkl n LEU 30 Cb 0.59 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.08 2kkl n LEU 30 CO 0.09 0.14 0.70 -0.94 -0.00 0.00 0.00 177.39 177.38 2kkl s SER 31 N -3.14 4.86 0.00 1.45 1.04 -1.26 -4.97 113.70 111.68 2kkl s SER 31 Ca 0.02 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2kkl s SER 31 Cb 0.13 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2kkl s SER 31 CO 0.74 -1.79 0.00 1.21 0.98 0.00 0.00 173.24 174.38 2kkl n GLU 32 N -3.36 2.51 -3.27 4.02 2.13 -1.26 -4.99 120.64 116.42 2kkl n GLU 32 Ca 0.08 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.80 2kkl n GLU 32 Cb 0.53 -0.83 0.01 0.00 0.27 0.00 0.00 31.44 31.42 2kkl n GLU 32 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kkl n LEU 33 N -1.38 -3.37 -4.76 4.31 4.77 -1.26 -4.82 117.00 110.48 2kkl n LEU 33 Ca 0.00 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 2kkl n LEU 33 Cb 0.25 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.69 2kkl n LEU 33 CO 0.00 -1.07 0.91 1.51 -1.33 0.00 0.00 177.39 177.41 2kkl s ASP 34 N -1.14 6.98 -0.37 -1.43 -4.77 -1.26 -4.97 116.67 109.71 2kkl s ASP 34 Ca 0.11 2.47 -0.04 0.00 -3.30 0.00 0.00 52.55 51.78 2kkl s ASP 34 Cb -0.01 -2.63 0.21 0.00 -1.09 0.00 0.00 42.92 39.40 2kkl s ASP 34 CO 0.25 -0.39 1.03 0.00 0.70 0.00 0.00 175.17 176.76 2kkl s ALA 35 N -0.84 -4.07 0.55 2.11 0.00 -1.26 -5.15 121.76 113.10 2kkl s ALA 35 Ca 0.49 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 2kkl s ALA 35 Cb -0.36 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2kkl s ALA 35 CO 0.45 -2.48 1.22 -2.30 0.00 0.00 0.00 175.76 172.66 2kkl n PRO 36 N 2.74 1.41 -1.91 0.00 -0.02 -1.26 -4.93 135.00 131.02 2kkl n PRO 36 Ca 0.12 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 2kkl n PRO 36 Cb 0.63 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2kkl n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkl s ALA 37 N -1.35 2.97 -0.04 3.55 0.00 -1.26 -4.98 121.76 120.65 2kkl s ALA 37 Ca 0.73 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.90 2kkl s ALA 37 Cb -0.43 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 2kkl s ALA 37 CO 0.49 -1.14 -0.09 0.94 0.00 0.00 0.00 175.76 175.96 2kkl n GLN 38 N -0.66 0.14 -1.93 0.00 7.27 -1.26 -4.98 117.38 115.96 2kkl n GLN 38 Ca 0.08 0.05 -0.40 0.00 0.07 0.00 0.00 57.00 56.80 2kkl n GLN 38 Cb 0.45 -0.67 -0.00 0.00 2.41 0.00 0.00 30.24 32.42 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kkl s ALA 39 N -2.78 3.44 -1.60 1.69 0.00 -1.26 -4.89 121.76 116.35 2kkl s ALA 39 Ca -0.07 1.41 0.27 0.00 0.00 0.00 0.00 51.96 53.56 2kkl s ALA 39 Cb 0.01 -3.55 0.82 0.00 0.00 0.00 0.00 23.12 20.40 2kkl s ALA 39 CO 0.11 -0.93 1.61 0.41 0.00 0.00 0.00 175.76 176.96 2kkl n GLY 40 N 0.60 -0.79 3.81 0.00 0.00 -1.26 -4.88 105.19 102.67 2kkl n GLY 40 Ca 0.02 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kkl s THR 41 N -2.59 4.13 -0.29 2.61 -1.32 -1.26 -5.05 115.64 111.87 2kkl s THR 41 Ca 0.23 1.37 -0.14 0.00 -1.21 0.00 0.00 61.69 61.95 2kkl s THR 41 Cb 0.19 -3.58 0.12 0.00 -1.51 0.00 0.00 72.50 67.72 2kkl s THR 41 CO 0.54 -0.24 0.77 -0.70 -2.21 0.00 0.00 174.62 172.78 2kkl s GLU 42 N -3.08 0.54 0.00 7.08 2.56 -1.26 -5.00 118.70 119.54 2kkl s GLU 42 Ca 0.63 1.14 0.00 0.00 0.00 0.00 0.00 54.97 56.74 2kkl s GLU 42 Cb -0.13 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.46 2kkl s GLU 42 CO 0.17 -0.15 0.43 -1.13 -0.56 0.00 0.00 175.26 174.02 2kkl n SER 43 N 4.76 0.90 0.00 -1.70 3.41 -1.26 -3.65 113.62 116.09 2kkl n SER 43 Ca -0.15 -1.67 0.11 0.00 -0.26 0.00 0.00 58.87 56.90 2kkl n SER 43 Cb 0.54 -0.42 0.65 0.00 -0.26 0.00 0.00 64.21 64.72 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkl n ALA 44 N 0.10 2.56 -2.08 7.33 0.00 -1.26 -4.81 120.51 122.35 2kkl n ALA 44 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 2kkl n ALA 44 Cb 0.22 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 2kkl n ALA 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kkl s VAL 45 N -2.00 3.91 0.56 0.00 1.01 -1.24 -4.77 120.40 117.86 2kkl s VAL 45 Ca 0.33 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.95 2kkl s VAL 45 Cb 0.15 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2kkl s VAL 45 CO 0.25 0.28 0.00 -0.24 0.00 0.00 0.00 175.10 175.39 2kkl n SER 46 N 2.41 -8.68 0.00 3.32 2.88 -1.26 -5.03 113.62 107.26 2kkl n SER 46 Ca 0.03 1.49 0.00 0.00 -1.33 0.00 0.00 58.87 59.05 2kkl n SER 46 Cb 0.46 -5.00 0.00 0.00 -0.75 0.00 0.00 64.21 58.93 2kkl n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkl n GLY 47 N -1.49 0.00 0.24 0.46 0.00 -1.26 -5.03 105.19 98.10 2kkl n GLY 47 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2kkl n GLY 47 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kkl h VAL 48 N 0.00 1.25 -2.28 1.61 2.07 -1.98 -3.39 116.25 113.52 2kkl h VAL 48 Ca 0.00 -0.94 -0.61 0.00 0.82 0.00 0.00 66.70 65.96 2kkl h VAL 48 Cb 0.00 0.97 0.11 0.00 -1.52 0.00 0.00 31.29 30.85 2kkl h VAL 48 CO 0.00 0.33 0.03 1.21 0.02 0.00 0.00 177.57 179.16 2kkl n GLU 49 N -4.43 1.16 0.00 1.57 4.07 -1.26 -3.73 120.64 118.02 2kkl n GLU 49 Ca 0.00 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 2kkl n GLU 49 Cb 0.26 -1.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kkl n GLY 50 N 1.33 0.81 2.14 8.31 0.00 -1.26 -4.82 105.19 111.69 2kkl n GLY 50 Ca 0.11 0.51 -0.03 0.00 0.00 0.00 0.00 46.02 46.61 2kkl n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kkl n LEU 51 N 0.00 -4.92 -4.83 0.99 -0.00 -1.24 -4.64 117.00 102.35 2kkl n LEU 51 Ca 0.00 0.41 -0.29 0.00 -0.00 0.00 0.00 56.01 56.13 2kkl n LEU 51 Cb 0.00 -2.17 0.13 0.00 -0.00 0.00 0.00 43.42 41.38 2kkl n LEU 51 CO 0.00 -1.29 0.75 -2.16 -0.00 0.00 0.00 177.39 174.69 2kkl s PRO 52 N -1.47 1.31 0.55 1.96 0.04 -1.26 -4.74 135.00 131.39 2kkl s PRO 52 Ca 0.08 0.17 -0.21 0.00 0.04 0.00 0.00 61.00 61.08 2kkl s PRO 52 Cb -0.02 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2kkl s PRO 52 CO 0.38 -2.06 1.17 -2.30 0.04 0.00 0.00 177.00 174.22 2kkl n PRO 53 N -3.65 1.33 0.00 0.56 -0.02 -1.26 -3.47 135.00 128.50 2kkl n PRO 53 Ca 0.08 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2kkl n PRO 53 Cb 0.60 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2kkl n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kkl n GLY 54 N 1.01 2.26 3.35 -1.23 0.00 -1.26 -5.07 105.19 104.26 2kkl n GLY 54 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2kkl n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkl s LEU 55 N 0.00 2.21 0.08 0.99 1.43 -1.23 -4.96 118.68 117.21 2kkl s LEU 55 Ca 0.00 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 2kkl s LEU 55 Cb 0.00 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 45.00 2kkl s LEU 55 CO 0.00 0.23 0.38 0.00 0.23 0.00 0.00 176.35 177.19 2kkl s ALA 56 N -0.88 -0.89 0.05 4.21 0.00 -1.26 -4.81 121.76 118.17 2kkl s ALA 56 Ca 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2kkl s ALA 56 Cb -0.10 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2kkl s ALA 56 CO 0.03 -0.53 0.02 -0.48 0.00 0.00 0.00 175.76 174.80 2kkl s LEU 57 N -2.38 2.21 0.14 0.00 0.05 -1.09 -0.96 118.68 116.65 2kkl s LEU 57 Ca -0.01 -0.81 0.09 0.00 0.05 0.00 0.00 54.13 53.45 2kkl s LEU 57 Cb 0.01 0.36 -0.04 0.00 -2.05 0.00 0.00 46.19 44.46 2kkl s LEU 57 CO -0.07 -0.56 -0.16 -0.76 -0.55 0.00 0.00 176.35 174.25 2kkl s LEU 58 N -2.57 2.75 -0.06 1.48 1.02 -1.04 -2.29 118.68 117.98 2kkl s LEU 58 Ca 0.01 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.60 2kkl s LEU 58 Cb 0.03 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.71 2kkl s LEU 58 CO -0.08 0.15 -0.18 -0.69 0.02 0.00 0.00 176.35 175.57 2kkl s VAL 59 N -1.37 1.51 0.22 -1.59 1.01 -0.79 -2.40 120.40 117.00 2kkl s VAL 59 Ca 0.20 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 2kkl s VAL 59 Cb -0.10 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.87 2kkl s VAL 59 CO 0.12 0.44 1.38 -0.69 0.00 0.00 0.00 175.10 176.34 2kkl s VAL 60 N 0.21 2.92 -0.61 2.92 1.01 -1.09 -1.56 120.40 124.21 2kkl s VAL 60 Ca -0.09 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2kkl s VAL 60 Cb -0.14 -3.49 0.39 0.00 0.00 0.00 0.00 36.38 33.14 2kkl s VAL 60 CO 0.04 0.12 1.45 1.17 0.00 0.00 0.00 175.10 177.88 2kkl n LYS 61 N 2.52 3.23 -4.67 2.72 4.81 -0.18 -4.12 118.16 122.47 2kkl n LYS 61 Ca 0.07 -4.17 -0.30 0.00 -0.87 0.00 0.00 58.31 53.04 2kkl n LYS 61 Cb 0.41 -2.26 -0.10 0.00 0.02 0.00 0.00 35.03 33.10 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kkl s ARG 62 N -3.75 2.04 -0.11 1.64 6.06 -1.26 -4.74 118.95 118.82 2kkl s ARG 62 Ca 0.49 -2.22 -0.07 0.00 -2.50 0.00 0.00 55.73 51.43 2kkl s ARG 62 Cb 0.40 -1.56 -0.06 0.00 0.06 0.00 0.00 34.95 33.79 2kkl s ARG 62 CO -0.27 -0.18 0.20 0.78 -2.50 0.00 0.00 175.30 173.33 2kkl h GLY 63 N 1.62 -0.02 -0.95 8.12 0.00 -1.98 -3.22 103.07 106.64 2kkl h GLY 63 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2kkl h GLY 63 CO 0.78 -0.01 0.00 -1.55 0.00 0.00 0.00 176.54 175.76 2kkl n PRO 64 N -4.75 1.59 -0.35 4.80 -0.04 -1.26 -3.92 135.00 131.07 2kkl n PRO 64 Ca -0.03 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2kkl n PRO 64 Cb 0.12 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2kkl n PRO 64 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kkl n ASN 65 N 0.08 0.00 -4.82 3.54 5.15 -1.26 -5.10 115.26 112.85 2kkl n ASN 65 Ca 0.07 -1.40 -0.33 0.00 -0.60 0.00 0.00 54.58 52.32 2kkl n ASN 65 Cb 0.25 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.39 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kkl s ALA 66 N 0.00 2.95 0.00 5.20 0.00 -1.22 -3.71 121.76 124.98 2kkl s ALA 66 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2kkl s ALA 66 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2kkl s ALA 66 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2kkl n GLY 67 N -1.13 3.38 3.77 0.00 0.00 -1.26 -5.00 105.19 104.96 2kkl n GLY 67 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl s SER 68 N -0.70 6.55 0.04 1.61 0.01 -1.24 -4.90 113.70 115.06 2kkl s SER 68 Ca 0.00 2.68 0.03 0.00 1.31 0.00 0.00 55.95 59.97 2kkl s SER 68 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2kkl s SER 68 CO 0.00 -0.69 -0.10 -0.13 0.41 0.00 0.00 173.24 172.73 2kkl s ARG 69 N -2.01 0.65 -0.27 12.44 0.52 -1.26 -2.66 118.95 126.35 2kkl s ARG 69 Ca 0.53 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 55.03 2kkl s ARG 69 Cb -0.39 -0.55 0.09 0.00 0.52 0.00 0.00 34.95 34.62 2kkl s ARG 69 CO 0.51 0.13 0.11 -0.06 0.02 0.00 0.00 175.30 176.01 2kkl s PHE 70 N -0.99 0.77 0.09 -0.53 0.08 -1.01 -4.95 117.98 111.44 2kkl s PHE 70 Ca -0.04 -1.05 -0.24 0.00 0.12 0.00 0.00 56.93 55.73 2kkl s PHE 70 Cb -0.08 -1.11 -0.07 0.00 -0.57 0.00 0.00 43.02 41.19 2kkl s PHE 70 CO 0.01 -0.78 0.72 -0.48 -0.10 0.00 0.00 175.22 174.58 2kkl s LEU 71 N 1.94 4.52 -0.65 -0.37 0.05 -1.26 -2.50 118.68 120.41 2kkl s LEU 71 Ca 0.07 1.47 -0.18 0.00 0.05 0.00 0.00 54.13 55.55 2kkl s LEU 71 Cb -0.16 -3.17 0.13 0.00 -2.05 0.00 0.00 46.19 40.93 2kkl s LEU 71 CO -0.27 0.15 0.72 -0.76 -0.55 0.00 0.00 176.35 175.64 2kkl s LEU 72 N -0.69 5.70 -0.14 1.48 1.43 -0.14 -4.83 118.68 121.50 2kkl s LEU 72 Ca 0.35 -1.75 0.15 0.00 -1.03 0.00 0.00 54.13 51.85 2kkl s LEU 72 Cb -0.21 -2.28 0.51 0.00 0.03 0.00 0.00 46.19 44.23 2kkl s LEU 72 CO 0.23 -0.98 1.41 -0.67 0.23 0.00 0.00 176.35 176.57 2kkl n ASP 73 N 5.81 3.82 -4.27 2.29 2.03 -1.26 -4.33 116.55 120.65 2kkl n ASP 73 Ca -0.03 -2.76 -0.21 0.00 0.52 0.00 0.00 54.79 52.31 2kkl n ASP 73 Cb 0.43 -0.48 -0.12 0.00 -0.72 0.00 0.00 41.12 40.23 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kkl s GLN 74 N -2.38 1.08 0.13 -0.67 -0.21 -1.26 -5.05 119.66 111.30 2kkl s GLN 74 Ca 0.39 -1.22 -0.19 0.00 0.02 0.00 0.00 55.36 54.36 2kkl s GLN 74 Cb 0.30 -1.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.14 2kkl s GLN 74 CO 0.11 0.24 1.77 0.00 -2.12 0.00 0.00 175.29 175.30 2kkl h ALA 75 N 3.70 0.29 -3.28 6.09 0.00 -1.97 -3.42 119.26 120.69 2kkl h ALA 75 Ca -0.42 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 2kkl h ALA 75 Cb 1.19 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.58 2kkl h ALA 75 CO 0.46 -0.26 -0.84 0.42 0.00 0.00 0.00 179.25 179.03 2kkl s ILE 76 N -6.17 1.61 -0.16 0.00 1.01 -1.26 -0.89 121.20 115.33 2kkl s ILE 76 Ca -0.13 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2kkl s ILE 76 Cb 0.09 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2kkl s ILE 76 CO 0.70 0.46 -0.18 -0.89 0.00 0.00 0.00 174.94 175.03 2kkl s THR 77 N 0.88 1.85 0.58 2.92 2.01 -0.96 -4.93 115.64 117.99 2kkl s THR 77 Ca -0.08 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 2kkl s THR 77 Cb -0.15 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 2kkl s THR 77 CO -0.00 0.51 0.90 -0.94 -0.69 0.00 0.00 174.62 174.40 2kkl s SER 78 N 1.28 5.80 0.52 3.53 1.04 -1.26 -0.80 113.70 123.82 2kkl s SER 78 Ca 0.03 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.37 2kkl s SER 78 Cb -0.13 -1.93 0.01 0.00 0.10 0.00 0.00 66.02 64.07 2kkl s SER 78 CO -0.10 -0.96 0.25 0.00 0.98 0.00 0.00 173.24 173.41 2kkl s ALA 79 N -2.99 4.26 0.00 5.32 0.00 -1.06 -4.25 121.76 123.05 2kkl s ALA 79 Ca 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2kkl s ALA 79 Cb -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2kkl s ALA 79 CO 0.47 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.36 2kkl n GLY 80 N -1.55 1.03 3.54 0.00 0.00 -1.26 -4.39 105.19 102.56 2kkl n GLY 80 Ca -0.08 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2kkl n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kkl s ARG 81 N 0.00 3.53 -0.40 1.61 0.52 -0.86 0.11 118.95 123.46 2kkl s ARG 81 Ca 0.00 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2kkl s ARG 81 Cb 0.00 -3.82 0.21 0.00 0.52 0.00 0.00 34.95 31.85 2kkl s ARG 81 CO 0.00 -0.57 0.97 -1.01 0.02 0.00 0.00 175.30 174.71 2kkl s HIS 82 N 2.08 -0.77 0.34 -0.53 3.76 -1.26 -4.98 115.29 113.93 2kkl s HIS 82 Ca 0.13 -0.26 0.09 0.00 -0.15 0.00 0.00 55.06 54.87 2kkl s HIS 82 Cb -0.16 0.15 0.83 0.00 1.11 0.00 0.00 32.58 34.50 2kkl s HIS 82 CO 0.12 -0.60 1.81 -1.35 -0.85 0.00 0.00 174.74 173.87 2kkl h PRO 83 N 4.52 0.66 -0.77 8.40 0.11 -1.92 0.59 132.00 143.59 2kkl h PRO 83 Ca 0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 2kkl h PRO 83 Cb 1.15 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2kkl h PRO 83 CO -0.07 0.44 0.28 -0.44 -0.21 0.00 0.00 178.00 178.00 2kkl h ASP 84 N 0.68 1.09 -4.28 -2.05 3.32 -1.95 -3.43 116.42 109.79 2kkl h ASP 84 Ca 0.54 -0.19 -0.51 0.00 0.02 0.00 0.00 57.03 56.89 2kkl h ASP 84 Cb 0.95 -0.28 0.10 0.00 0.22 0.00 0.00 39.33 40.32 2kkl h ASP 84 CO -0.30 0.98 0.35 -0.55 -1.72 0.00 0.00 179.24 178.00 2kkl s SER 85 N -6.39 5.08 0.21 6.45 0.15 0.20 -4.94 113.70 114.46 2kkl s SER 85 Ca -0.12 1.79 -0.08 0.00 0.70 0.00 0.00 55.95 58.24 2kkl s SER 85 Cb 0.16 -2.52 0.16 0.00 -1.71 0.00 0.00 66.02 62.11 2kkl s SER 85 CO 0.84 -1.64 1.81 0.44 1.20 0.00 0.00 173.24 175.88 2kkl h ASP 86 N -0.55 1.06 -3.64 5.45 3.32 -1.84 -3.39 116.42 116.83 2kkl h ASP 86 Ca -0.45 -0.14 -0.64 0.00 0.02 0.00 0.00 57.03 55.83 2kkl h ASP 86 Cb 1.23 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.35 2kkl h ASP 86 CO 0.54 0.90 -0.13 -0.63 -1.72 0.00 0.00 179.24 178.21 2kkl s ILE 87 N -5.69 5.09 -0.45 0.35 1.01 -1.26 -4.98 121.20 115.27 2kkl s ILE 87 Ca -0.13 0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2kkl s ILE 87 Cb 0.16 -3.85 0.14 0.00 0.01 0.00 0.00 42.46 38.91 2kkl s ILE 87 CO 0.83 -0.05 0.27 0.72 0.00 0.00 0.00 174.94 176.70 2kkl s PHE 88 N 2.24 1.97 -0.88 3.97 -0.71 -1.26 -4.35 117.98 118.96 2kkl s PHE 88 Ca 0.17 -2.45 -0.20 0.00 -1.04 0.00 0.00 56.93 53.41 2kkl s PHE 88 Cb -0.16 -1.82 0.11 0.00 -1.21 0.00 0.00 43.02 39.94 2kkl s PHE 88 CO 0.11 -0.77 1.12 -0.51 -1.34 0.00 0.00 175.22 173.84 2kkl s LEU 89 N 0.22 4.74 -0.79 -1.99 1.43 0.31 -4.89 118.68 117.71 2kkl s LEU 89 Ca 0.20 -1.74 -0.17 0.00 -1.03 0.00 0.00 54.13 51.39 2kkl s LEU 89 Cb -0.20 -2.42 0.16 0.00 0.03 0.00 0.00 46.19 43.76 2kkl s LEU 89 CO -0.03 -1.20 0.85 -0.62 0.23 0.00 0.00 176.35 175.58 2kkl s ASP 90 N 3.79 6.57 0.36 2.29 -1.08 -1.26 -4.13 116.67 123.22 2kkl s ASP 90 Ca 0.32 -2.19 -0.17 0.00 -0.52 0.00 0.00 52.55 49.99 2kkl s ASP 90 Cb -0.07 -2.29 0.05 0.00 -1.46 0.00 0.00 42.92 39.15 2kkl s ASP 90 CO -0.05 -0.85 0.78 1.51 0.52 0.00 0.00 175.17 177.07 2kkl s ASP 91 N 2.99 -0.05 0.16 -0.34 1.47 -1.26 -5.04 116.67 114.59 2kkl s ASP 91 Ca 0.20 -1.03 -0.14 0.00 1.18 0.00 0.00 52.55 52.76 2kkl s ASP 91 Cb -0.12 0.83 0.04 0.00 -0.34 0.00 0.00 42.92 43.33 2kkl s ASP 91 CO -0.05 -1.62 1.76 0.58 0.68 0.00 0.00 175.17 176.52 2kkl h VAL 92 N 2.00 1.18 -3.81 2.11 2.07 -2.01 -3.44 116.25 114.35 2kkl h VAL 92 Ca -0.29 -0.47 -0.44 0.00 0.82 0.00 0.00 66.70 66.32 2kkl h VAL 92 Cb 1.25 0.57 0.17 0.00 -1.52 0.00 0.00 31.29 31.76 2kkl h VAL 92 CO 0.37 0.19 0.21 0.42 0.02 0.00 0.00 177.57 178.78 2kkl s THR 93 N -5.81 1.85 -0.01 2.57 -4.23 -1.26 -4.77 115.64 103.98 2kkl s THR 93 Ca -0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.36 2kkl s THR 93 Cb 0.12 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.38 2kkl s THR 93 CO 0.76 0.00 0.03 0.52 -0.54 0.00 0.00 174.62 175.39 2kkl n VAL 94 N -4.30-12.56 0.00 2.29 0.31 -1.26 -4.98 118.33 97.83 2kkl n VAL 94 Ca 0.09 2.89 0.00 0.00 -0.01 0.00 0.00 64.34 67.31 2kkl n VAL 94 Cb 0.59 -5.94 0.00 0.00 -0.91 0.00 0.00 33.84 27.57 2kkl n VAL 94 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2kkl n SER 95 N 1.68 0.00 -0.14 4.52 2.88 -1.26 -4.82 113.62 116.48 2kkl n SER 95 Ca -0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.41 2kkl n SER 95 Cb 0.08 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.55 2kkl n SER 95 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kkl h ARG 96 N 0.00 0.57 0.00 -1.46 2.43 -1.94 -3.40 114.38 110.57 2kkl h ARG 96 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kkl h ARG 96 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2kkl h ARG 96 CO 0.00 0.39 0.00 2.89 -1.51 0.00 0.00 179.97 181.74 2kkl n ARG 97 N -4.78 0.00 -0.65 0.20 1.85 -1.26 -2.03 116.66 110.00 2kkl n ARG 97 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.84 2kkl n ARG 97 Cb 0.03 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.44 2kkl n ARG 97 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2kkl n HIS 98 N 0.00 -0.44 -3.68 2.89 1.44 -1.26 -4.66 115.22 109.50 2kkl n HIS 98 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2kkl n HIS 98 Cb 0.00 -1.08 -0.08 0.00 0.12 0.00 0.00 29.99 28.95 2kkl n HIS 98 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kkl s ALA 99 N -0.74 -1.30 -0.04 1.59 0.00 -1.26 -3.92 121.76 116.09 2kkl s ALA 99 Ca 0.00 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.10 2kkl s ALA 99 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2kkl s ALA 99 CO 0.00 -0.27 0.31 -2.00 0.00 0.00 0.00 175.76 173.80 2kkl s GLU 100 N -0.20 0.60 -0.02 0.00 2.12 -0.83 -2.57 118.70 117.80 2kkl s GLU 100 Ca -0.04 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2kkl s GLU 100 Cb -0.03 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.59 2kkl s GLU 100 CO 0.03 -0.15 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.50 2kkl s PHE 101 N -0.98 2.99 -0.02 5.30 0.08 0.02 -1.10 117.98 124.27 2kkl s PHE 101 Ca -0.10 0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.02 2kkl s PHE 101 Cb -0.05 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2kkl s PHE 101 CO 0.03 0.41 -0.14 0.50 -0.10 0.00 0.00 175.22 175.92 2kkl s ARG 102 N -1.32 1.31 -0.16 0.44 3.52 -0.60 -2.26 118.95 119.89 2kkl s ARG 102 Ca 0.17 -0.50 -0.18 0.00 -0.13 0.00 0.00 55.73 55.09 2kkl s ARG 102 Cb -0.11 -1.21 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 2kkl s ARG 102 CO 0.07 0.25 0.50 -1.17 -0.81 0.00 0.00 175.30 174.14 2kkl s LEU 103 N -0.10 4.21 -0.10 -0.88 2.96 -0.07 -0.42 118.68 124.27 2kkl s LEU 103 Ca 0.01 0.75 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 2kkl s LEU 103 Cb -0.08 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.90 2kkl s LEU 103 CO 0.00 -0.10 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.00 2kkl s GLU 104 N 1.17 3.06 0.70 1.98 2.12 -0.33 -4.95 118.70 122.45 2kkl s GLU 104 Ca 0.25 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.71 2kkl s GLU 104 Cb -0.15 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.92 2kkl s GLU 104 CO 0.10 0.18 0.00 0.09 -0.54 0.00 0.00 175.26 175.09 2kkl n ASN 105 N 3.53 0.00 -0.79 -1.70 5.03 -1.26 0.03 115.26 120.11 2kkl n ASN 105 Ca -0.19 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.26 2kkl n ASN 105 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.28 2kkl n ASN 105 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2kkl n ASN 106 N 1.53 0.06 -3.97 6.41 5.03 -1.26 -5.09 115.26 117.97 2kkl n ASN 106 Ca 0.00 -1.73 -0.17 0.00 0.87 0.00 0.00 54.58 53.55 2kkl n ASN 106 Cb 0.00 -0.09 -0.15 0.00 -1.02 0.00 0.00 39.78 38.52 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2kkl s GLU 107 N 0.00 0.55 0.46 3.52 0.41 0.10 -4.41 118.70 119.33 2kkl s GLU 107 Ca 0.07 -0.22 -0.21 0.00 -0.41 0.00 0.00 54.97 54.20 2kkl s GLU 107 Cb 0.08 -0.54 -0.09 0.00 -1.78 0.00 0.00 34.13 31.81 2kkl s GLU 107 CO -0.04 0.12 1.03 -0.06 -0.49 0.00 0.00 175.26 175.83 2kkl s PHE 108 N -0.05 3.09 0.17 1.61 0.08 -1.26 -1.18 117.98 120.44 2kkl s PHE 108 Ca 0.01 1.60 0.01 0.00 0.12 0.00 0.00 56.93 58.67 2kkl s PHE 108 Cb -0.04 -3.06 -0.05 0.00 -0.57 0.00 0.00 43.02 39.31 2kkl s PHE 108 CO -0.00 -0.71 0.03 -0.80 -0.10 0.00 0.00 175.22 173.63 2kkl s ASN 109 N -1.89 1.01 -0.06 1.36 0.01 0.43 -1.80 114.94 114.00 2kkl s ASN 109 Ca 0.64 -1.21 0.04 0.00 -0.71 0.00 0.00 52.86 51.62 2kkl s ASN 109 Cb -0.17 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.66 2kkl s ASN 109 CO 0.21 -0.62 -0.17 0.54 -1.51 0.00 0.00 177.10 175.55 2kkl s VAL 110 N -3.76 1.46 -0.05 1.60 0.11 -0.91 -1.55 120.40 117.30 2kkl s VAL 110 Ca 0.26 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2kkl s VAL 110 Cb 0.07 -1.28 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2kkl s VAL 110 CO 0.05 0.42 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.44 2kkl s VAL 111 N 0.33 1.03 -0.11 2.04 1.01 -0.26 -2.56 120.40 121.88 2kkl s VAL 111 Ca -0.11 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2kkl s VAL 111 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2kkl s VAL 111 CO 0.04 0.32 0.07 -1.81 0.00 0.00 0.00 175.10 173.72 2kkl s ASP 112 N 0.43 5.76 -0.07 3.32 1.01 -0.79 -1.96 116.67 124.37 2kkl s ASP 112 Ca -0.09 0.28 -0.20 0.00 0.71 0.00 0.00 52.55 53.25 2kkl s ASP 112 Cb -0.13 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2kkl s ASP 112 CO 0.02 0.38 0.58 0.68 0.21 0.00 0.00 175.17 177.04 2kkl s VAL 113 N -0.86 5.06 0.03 -1.27 -7.23 -1.25 -4.92 120.40 109.96 2kkl s VAL 113 Ca 0.13 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.49 2kkl s VAL 113 Cb -0.12 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.91 2kkl s VAL 113 CO 0.03 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 2kkl n GLY 114 N 2.94 -2.13 2.53 2.32 0.00 -1.26 -4.66 105.19 104.94 2kkl n GLY 114 Ca -0.05 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 2kkl n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkl n SER 115 N -0.78 3.01 -3.31 1.61 7.64 -1.26 -4.88 113.62 115.65 2kkl n SER 115 Ca 0.00 -3.35 -0.02 0.00 1.01 0.00 0.00 58.87 56.51 2kkl n SER 115 Cb 0.06 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 62.60 2kkl n SER 115 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kkl s LEU 116 N -2.64 -1.04 -1.45 -3.43 1.98 -1.26 -4.90 118.68 105.95 2kkl s LEU 116 Ca 0.42 0.73 -0.06 0.00 -2.89 0.00 0.00 54.13 52.33 2kkl s LEU 116 Cb 0.23 1.74 0.03 0.00 0.66 0.00 0.00 46.19 48.85 2kkl s LEU 116 CO -0.08 -0.27 0.55 0.59 -1.89 0.00 0.00 176.35 175.25 2kkl n ASN 117 N 5.41 -5.19 -4.64 3.68 5.03 -1.26 -4.94 115.26 113.34 2kkl n ASN 117 Ca -0.04 -0.31 -0.29 0.00 0.87 0.00 0.00 54.58 54.81 2kkl n ASN 117 Cb 0.50 -4.22 0.19 0.00 -1.02 0.00 0.00 39.78 35.23 2kkl n ASN 117 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kkl s GLY 118 N -2.70 1.57 0.34 7.41 0.00 -1.26 -4.93 107.32 107.75 2kkl s GLY 118 Ca 0.33 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.54 2kkl s GLY 118 CO 0.41 0.38 1.44 -1.59 0.00 0.00 0.00 173.10 173.75 2kkl s THR 119 N -2.84 2.32 0.13 0.90 2.01 -1.26 -5.00 115.64 111.90 2kkl s THR 119 Ca 0.66 0.31 0.11 0.00 0.31 0.00 0.00 61.69 63.07 2kkl s THR 119 Cb -0.20 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2kkl s THR 119 CO 0.59 0.07 -0.26 -0.72 -0.69 0.00 0.00 174.62 173.61 2kkl s TYR 120 N -0.82 2.33 -0.09 4.92 -0.85 -1.26 -4.35 117.35 117.23 2kkl s TYR 120 Ca 0.54 -0.37 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 2kkl s TYR 120 Cb -0.44 -1.25 -0.00 0.00 0.38 0.00 0.00 41.96 40.64 2kkl s TYR 120 CO 0.56 0.35 -0.24 0.54 -1.52 0.00 0.00 175.55 175.24 2kkl s VAL 121 N -1.10 2.02 0.02 -3.49 0.11 -1.22 -4.20 120.40 112.54 2kkl s VAL 121 Ca 0.15 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2kkl s VAL 121 Cb -0.10 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 2kkl s VAL 121 CO 0.07 0.55 0.00 0.59 -3.33 0.00 0.00 175.10 172.98 2kkl n ASN 122 N 3.44 -1.87 0.00 3.54 3.02 -1.25 -1.99 115.26 120.16 2kkl n ASN 122 Ca -0.19 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2kkl n ASN 122 Cb 0.53 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2kkl n ASN 122 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kkl n ARG 123 N -0.82 0.00 -3.64 3.52 1.85 -1.26 -4.05 116.66 112.27 2kkl n ARG 123 Ca 0.00 0.10 -0.39 0.00 -1.00 0.00 0.00 57.85 56.56 2kkl n ARG 123 Cb 0.05 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.87 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2kkl s GLU 124 N -2.18 2.54 -0.03 2.89 2.02 -0.84 -5.07 118.70 118.02 2kkl s GLU 124 Ca 0.00 -2.16 -0.30 0.00 0.02 0.00 0.00 54.97 52.53 2kkl s GLU 124 Cb 0.00 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 2kkl s GLU 124 CO 0.00 -1.17 1.06 -1.25 0.02 0.00 0.00 175.26 173.92 2kkl s PRO 125 N 0.62 4.46 0.09 0.39 0.04 -1.25 -3.45 135.00 135.91 2kkl s PRO 125 Ca 0.12 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 2kkl s PRO 125 Cb -0.21 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2kkl s PRO 125 CO -0.03 -0.23 -0.00 0.14 0.04 0.00 0.00 177.00 176.91 2kkl s VAL 126 N 1.52 0.28 -0.05 -0.36 -7.23 -1.26 -4.91 120.40 108.39 2kkl s VAL 126 Ca 0.53 -1.88 0.24 0.00 -1.81 0.00 0.00 61.98 59.06 2kkl s VAL 126 Cb -0.22 -1.77 0.26 0.00 0.56 0.00 0.00 36.38 35.20 2kkl s VAL 126 CO 0.24 -0.75 1.74 0.44 -0.31 0.00 0.00 175.10 176.46 2kkl h ASP 127 N 2.99 0.00 -4.88 4.85 3.32 -1.97 -3.41 116.42 117.32 2kkl h ASP 127 Ca -0.35 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.73 2kkl h ASP 127 Cb 1.17 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 2kkl h ASP 127 CO 0.63 0.18 0.31 -0.94 -1.72 0.00 0.00 179.24 177.70 2kkl s SER 128 N -6.14 -0.49 -0.03 6.45 1.04 -1.26 -1.88 113.70 111.38 2kkl s SER 128 Ca 0.03 -0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.13 2kkl s SER 128 Cb 0.08 0.53 0.11 0.00 0.10 0.00 0.00 66.02 66.84 2kkl s SER 128 CO 0.64 -0.86 1.17 0.00 0.98 0.00 0.00 173.24 175.17 2kkl s ALA 129 N -3.53 -2.05 -0.10 5.32 0.00 -1.06 -5.03 121.76 115.31 2kkl s ALA 129 Ca 0.03 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 2kkl s ALA 129 Cb -0.01 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2kkl s ALA 129 CO -0.11 -0.89 0.52 0.08 0.00 0.00 0.00 175.76 175.36 2kkl s VAL 130 N -2.64 5.14 0.43 0.00 1.01 -1.26 -2.14 120.40 120.93 2kkl s VAL 130 Ca 0.12 1.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.93 2kkl s VAL 130 Cb 0.02 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2kkl s VAL 130 CO -0.04 0.33 0.99 -0.76 0.00 0.00 0.00 175.10 175.62 2kkl s LEU 131 N 0.54 3.99 0.02 3.92 1.43 -0.74 -4.95 118.68 122.88 2kkl s LEU 131 Ca 0.28 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 55.06 2kkl s LEU 131 Cb -0.16 -4.43 0.03 0.00 0.03 0.00 0.00 46.19 41.66 2kkl s LEU 131 CO 0.12 -0.47 0.35 0.00 0.23 0.00 0.00 176.35 176.58 2kkl s ALA 132 N -1.97 -0.85 0.20 4.21 0.00 -1.26 -4.65 121.76 117.44 2kkl s ALA 132 Ca 0.62 0.26 -0.32 0.00 0.00 0.00 0.00 51.96 52.51 2kkl s ALA 132 Cb -0.14 0.22 -0.15 0.00 0.00 0.00 0.00 23.12 23.05 2kkl s ALA 132 CO 0.19 -0.36 1.31 -1.71 0.00 0.00 0.00 175.76 175.19 2kkl n ASN 133 N 0.84 2.14 0.00 0.00 5.15 -1.26 -1.39 115.26 120.74 2kkl n ASN 133 Ca -0.20 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.92 2kkl n ASN 133 Cb 0.58 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kkl n GLY 134 N 2.19 0.72 3.86 8.20 0.00 -0.86 -5.02 105.19 114.28 2kkl n GLY 134 Ca 0.14 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2kkl n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kkl s ASP 135 N -2.08 6.73 -0.15 1.61 1.01 -0.48 -4.93 116.67 118.38 2kkl s ASP 135 Ca 0.00 1.08 -0.02 0.00 0.71 0.00 0.00 52.55 54.32 2kkl s ASP 135 Cb 0.00 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 2kkl s ASP 135 CO 0.00 -0.07 -0.09 -1.61 0.21 0.00 0.00 175.17 173.62 2kkl s GLU 136 N -2.64 3.47 -0.08 8.23 2.02 -1.26 0.30 118.70 128.74 2kkl s GLU 136 Ca 0.47 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.87 2kkl s GLU 136 Cb -0.12 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.33 2kkl s GLU 136 CO 0.20 0.14 -0.17 0.08 0.02 0.00 0.00 175.26 175.53 2kkl s VAL 137 N 0.57 1.54 -0.12 2.63 1.01 0.02 -3.88 120.40 122.16 2kkl s VAL 137 Ca -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2kkl s VAL 137 Cb -0.15 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2kkl s VAL 137 CO 0.03 0.44 -0.13 -1.58 0.00 0.00 0.00 175.10 173.86 2kkl s GLN 138 N 0.46 2.08 -0.09 2.72 0.74 -1.26 -1.34 119.66 122.97 2kkl s GLN 138 Ca -0.15 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 54.80 2kkl s GLN 138 Cb -0.16 -1.89 0.01 0.00 1.10 0.00 0.00 33.01 32.07 2kkl s GLN 138 CO 0.06 -0.17 -0.19 0.42 -0.55 0.00 0.00 175.29 174.86 2kkl s ILE 139 N 1.31 1.65 0.00 -2.34 1.01 -1.20 -4.43 121.20 117.20 2kkl s ILE 139 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2kkl s ILE 139 Cb -0.14 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2kkl s ILE 139 CO -0.06 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2kkl n GLY 140 N 3.68 1.44 0.00 6.18 0.00 -1.26 -3.19 105.19 112.04 2kkl n GLY 140 Ca -0.21 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kkl n GLY 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kkl n LYS 141 N 0.00 2.41 -2.50 1.61 4.81 -1.26 -4.89 118.16 118.34 2kkl n LYS 141 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 2kkl n LYS 141 Cb 0.00 -0.85 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kkl s PHE 142 N -1.57 3.17 -0.10 5.64 0.08 -1.19 -5.04 117.98 118.97 2kkl s PHE 142 Ca 0.00 1.62 -0.04 0.00 0.12 0.00 0.00 56.93 58.63 2kkl s PHE 142 Cb 0.00 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 2kkl s PHE 142 CO 0.00 -0.79 0.06 1.03 -0.10 0.00 0.00 175.22 175.42 2kkl s ARG 143 N -2.62 3.21 -0.01 0.44 0.52 -1.26 -3.26 118.95 115.96 2kkl s ARG 143 Ca 0.60 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 2kkl s ARG 143 Cb -0.22 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2kkl s ARG 143 CO 0.28 0.72 -0.04 -0.51 0.02 0.00 0.00 175.30 175.77 2kkl s LEU 144 N -0.91 1.81 -0.15 2.53 1.02 -0.45 -1.01 118.68 121.52 2kkl s LEU 144 Ca 0.14 -0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 2kkl s LEU 144 Cb -0.12 -0.25 -0.03 0.00 0.02 0.00 0.00 46.19 45.82 2kkl s LEU 144 CO 0.03 0.02 -0.05 0.54 0.02 0.00 0.00 176.35 176.91 2kkl s VAL 145 N 0.17 3.82 -0.42 -1.59 0.11 -0.60 -0.80 120.40 121.09 2kkl s VAL 145 Ca -0.01 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.43 2kkl s VAL 145 Cb -0.05 -2.67 0.02 0.00 -1.53 0.00 0.00 36.38 32.15 2kkl s VAL 145 CO -0.00 0.50 0.72 0.12 -3.33 0.00 0.00 175.10 173.10 2kkl s PHE 146 N 0.33 3.06 0.05 1.54 2.19 0.15 -1.89 117.98 123.40 2kkl s PHE 146 Ca -0.04 0.19 -0.01 0.00 0.33 0.00 0.00 56.93 57.39 2kkl s PHE 146 Cb -0.14 -3.44 -0.04 0.00 -1.31 0.00 0.00 43.02 38.08 2kkl s PHE 146 CO 0.03 -0.85 -0.03 -0.51 1.83 0.00 0.00 175.22 175.69 2kkl s LEU 147 N 3.03 2.47 0.47 6.12 1.43 -0.97 -2.02 118.68 129.20 2kkl s LEU 147 Ca 0.27 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2kkl s LEU 147 Cb -0.13 0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.32 2kkl s LEU 147 CO 0.19 -0.60 0.65 0.42 0.23 0.00 0.00 176.35 177.25 2kkl s THR 148 N -3.88 3.15 -0.80 5.49 -4.23 -1.26 -2.67 115.64 111.44 2kkl s THR 148 Ca 0.07 -0.79 -0.26 0.00 -1.18 0.00 0.00 61.69 59.53 2kkl s THR 148 Cb 0.08 -3.12 0.02 0.00 1.34 0.00 0.00 72.50 70.81 2kkl s THR 148 CO -0.10 -0.07 1.47 -0.83 -0.54 0.00 0.00 174.62 174.55 2kkl s GLY 149 N -4.34 0.80 0.23 3.99 0.00 -1.26 -4.94 107.32 101.81 2kkl s GLY 149 Ca 0.54 -1.47 -0.15 0.00 0.00 0.00 0.00 44.72 43.64 2kkl s GLY 149 CO 0.36 2.85 0.65 0.30 0.00 0.00 0.00 173.10 177.26 2kkl s HIS 150 N 6.46 3.51 -1.29 1.90 3.76 -1.26 -4.45 115.29 123.93 2kkl s HIS 150 Ca 0.46 1.16 0.25 0.00 -0.15 0.00 0.00 55.06 56.78 2kkl s HIS 150 Cb -0.07 -2.47 0.58 0.00 1.11 0.00 0.00 32.58 31.73 2kkl s HIS 150 CO 0.09 0.27 1.46 0.36 -0.85 0.00 0.00 174.74 176.07 2kkl n LYS 151 N 0.26 0.32 -3.27 1.40 2.85 -1.26 -4.86 118.16 113.61 2kkl n LYS 151 Ca -0.01 -0.19 -0.36 0.00 -1.05 0.00 0.00 58.31 56.70 2kkl n LYS 151 Cb 0.52 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.35 2kkl n LYS 151 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2kkl s GLN 152 N -2.81 4.09 0.00 -1.58 -0.21 -1.26 -4.63 119.66 113.26 2kkl s GLN 152 Ca 0.16 0.64 0.00 0.00 0.02 0.00 0.00 55.36 56.18 2kkl s GLN 152 Cb 0.18 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 31.24 2kkl s GLN 152 CO 0.64 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.69 2kkl n GLY 153 N 0.88 1.61 2.24 3.09 0.00 -1.26 -5.02 105.19 106.72 2kkl n GLY 153 Ca -0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2kkl n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kkl n GLU 154 N 0.00 0.66 0.00 1.61 1.02 -1.26 -4.90 120.64 117.76 2kkl n GLU 154 Ca 0.00 -3.14 0.14 0.00 -0.02 0.00 0.00 57.16 54.13 2kkl n GLU 154 Cb 0.00 -1.27 0.50 0.00 -0.02 0.00 0.00 31.44 30.65 2kkl n GLU 154 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kkl n ASP 155 N 1.58 1.26 0.00 1.62 8.00 -1.26 -4.88 116.55 122.87 2kkl n ASP 155 Ca 0.21 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2kkl n ASP 155 Cb 0.53 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2kkl n ASP 155 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kkl n LEU 156 N -0.16 0.70 -0.54 0.64 4.77 -1.26 -4.61 117.00 116.55 2kkl n LEU 156 Ca 0.17 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2kkl n LEU 156 Cb 0.34 -1.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.32 2kkl n LEU 156 CO 0.20 -0.35 0.42 -0.62 -1.33 0.00 0.00 177.39 175.71 2kkl n GLU 157 N -1.96 1.36 -0.30 3.23 1.02 -1.26 -4.30 120.64 118.42 2kkl n GLU 157 Ca 0.00 -1.08 -0.04 0.00 -0.02 0.00 0.00 57.16 56.02 2kkl n GLU 157 Cb 0.00 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2kkl n GLU 157 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kkl h HIS 158 N 2.64 1.06 -3.14 -0.32 3.86 -1.98 -3.41 115.15 113.86 2kkl h HIS 158 Ca 0.00 0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 58.69 2kkl h HIS 158 Cb 0.75 -0.35 0.01 0.00 1.06 0.00 0.00 27.41 28.88 2kkl h HIS 158 CO 0.00 0.68 0.62 -1.58 0.86 0.00 0.00 177.93 178.51 2kkl s HIS 159 N -6.07 3.37 -0.03 2.45 5.65 -1.26 -5.02 115.29 114.37 2kkl s HIS 159 Ca -0.13 1.18 0.02 0.00 0.25 0.00 0.00 55.06 56.39 2kkl s HIS 159 Cb 0.16 -3.51 -0.03 0.00 -1.18 0.00 0.00 32.58 28.01 2kkl s HIS 159 CO 0.80 -1.67 -0.08 -1.01 -0.65 0.00 0.00 174.74 172.12 2kkl s HIS 160 N 1.02 2.87 0.23 3.88 0.09 -1.26 -5.02 115.29 117.09 2kkl s HIS 160 Ca 0.60 -0.04 -0.05 0.00 -0.00 0.00 0.00 55.06 55.57 2kkl s HIS 160 Cb -0.32 -1.64 0.22 0.00 -0.00 0.00 0.00 32.58 30.84 2kkl s HIS 160 CO 0.30 0.33 1.72 0.45 -0.00 0.00 0.00 174.74 177.54 2kkl h HIS 161 N 4.92 1.00 -3.24 1.40 3.86 -1.97 -3.43 115.15 117.69 2kkl h HIS 161 Ca -0.48 -0.14 -0.18 0.00 -1.16 0.00 0.00 60.37 58.40 2kkl h HIS 161 Cb 1.17 -0.27 -0.27 0.00 1.06 0.00 0.00 27.41 29.10 2kkl h HIS 161 CO 0.56 0.88 -0.49 -1.58 0.86 0.00 0.00 177.93 178.16 2kkl s HIS 162 N -5.06 -0.22 -2.00 2.45 5.65 -1.26 -5.34 115.29 109.50 2kkl s HIS 162 Ca -0.11 0.55 0.31 0.00 0.25 0.00 0.00 55.06 56.06 2kkl s HIS 162 Cb 0.14 0.07 1.85 0.00 -1.18 0.00 0.00 32.58 33.46 2kkl s HIS 162 CO 0.83 -0.12 2.17 0.72 -0.65 0.00 0.00 174.74 177.70