#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl h PHE 25 N 0.00 0.76 -3.94 6.34 -1.00 -2.07 -3.43 116.94 113.60 2kkl h PHE 25 Ca 0.00 -0.06 -0.49 0.00 2.81 0.00 0.00 57.97 60.22 2kkl h PHE 25 Cb 0.00 -0.23 0.03 0.00 3.61 0.00 0.00 35.95 39.36 2kkl h PHE 25 CO 0.00 0.65 0.44 1.03 -1.61 0.00 0.00 178.31 178.82 2kkl s ARG 26 N -5.51 4.16 0.66 1.51 0.52 -1.26 -5.01 118.95 114.03 2kkl s ARG 26 Ca -0.13 1.64 -0.09 0.00 -0.52 0.00 0.00 55.73 56.62 2kkl s ARG 26 Cb 0.11 -2.64 0.14 0.00 0.52 0.00 0.00 34.95 33.09 2kkl s ARG 26 CO 0.78 -0.17 0.33 0.00 0.02 0.00 0.00 175.30 176.25 2kkl n ALA 27 N 0.08 -1.99 0.99 2.13 0.00 -1.26 -4.74 120.51 115.71 2kkl n ALA 27 Ca 0.04 -0.58 0.09 0.00 0.00 0.00 0.00 53.44 52.99 2kkl n ALA 27 Cb 0.48 -0.05 0.49 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.36 0.00 -0.07 0.00 2.03 -1.26 -4.80 116.55 110.09 2kkl n ASP 28 Ca 0.05 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2kkl n ASP 28 Cb 0.23 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2kkl n PHE 29 N -1.12 -0.03 -1.70 -0.67 -1.74 -1.26 -5.05 117.46 105.89 2kkl n PHE 29 Ca 0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.80 2kkl n PHE 29 Cb 0.09 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.03 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2kkl s LEU 30 N 0.00 3.02 0.00 5.98 1.43 -1.26 -4.69 118.68 123.15 2kkl s LEU 30 Ca 0.00 0.02 0.29 0.00 -1.03 0.00 0.00 54.13 53.41 2kkl s LEU 30 Cb 0.00 -2.55 1.34 0.00 0.03 0.00 0.00 46.19 45.01 2kkl s LEU 30 CO 0.00 -3.43 1.95 -1.54 0.23 0.00 0.00 176.35 173.55 2kkl n SER 31 N 16.99 0.14 -4.41 2.29 3.41 -1.26 -4.59 113.62 126.19 2kkl n SER 31 Ca 0.43 -0.13 -0.44 0.00 -0.26 0.00 0.00 58.87 58.47 2kkl n SER 31 Cb 0.46 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2kkl n SER 31 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kkl s GLU 32 N -2.66 3.18 0.88 4.33 2.56 -1.26 -4.96 118.70 120.76 2kkl s GLU 32 Ca 0.25 -1.29 0.00 0.00 0.00 0.00 0.00 54.97 53.93 2kkl s GLU 32 Cb 0.20 -4.36 0.00 0.00 2.00 0.00 0.00 34.13 31.97 2kkl s GLU 32 CO 0.49 -1.66 0.00 1.28 -0.56 0.00 0.00 175.26 174.82 2kkl n LEU 33 N 6.70 0.00 -0.08 2.70 4.77 -1.26 -4.72 117.00 125.11 2kkl n LEU 33 Ca -0.01 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2kkl n LEU 33 Cb 0.45 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2kkl n LEU 33 CO 0.58 -0.92 -0.56 -0.90 -1.33 0.00 0.00 177.39 174.25 2kkl n ASP 34 N -3.65 1.70 -2.66 -1.43 5.75 -1.26 -4.96 116.55 110.03 2kkl n ASP 34 Ca 0.00 0.33 -0.03 0.00 -0.01 0.00 0.00 54.79 55.08 2kkl n ASP 34 Cb 0.07 -0.73 0.04 0.00 -1.03 0.00 0.00 41.12 39.47 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kkl s ALA 35 N -2.90 -4.79 0.51 2.12 0.00 -1.26 -5.10 121.76 110.33 2kkl s ALA 35 Ca -0.24 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 2kkl s ALA 35 Cb 0.03 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 2kkl s ALA 35 CO 0.36 -2.57 1.32 -2.30 0.00 0.00 0.00 175.76 172.57 2kkl n PRO 36 N 2.56 1.78 -3.60 0.00 -0.02 -1.26 -5.03 135.00 129.44 2kkl n PRO 36 Ca 0.11 0.65 -0.03 0.00 -2.02 0.00 0.00 63.50 62.21 2kkl n PRO 36 Cb 0.66 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.27 -2.20 0.27 3.55 0.00 -1.26 -5.15 121.76 115.71 2kkl s ALA 37 Ca 0.68 2.27 -0.29 0.00 0.00 0.00 0.00 51.96 54.62 2kkl s ALA 37 Cb -0.44 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 20.87 2kkl s ALA 37 CO 0.52 -0.61 1.02 1.14 0.00 0.00 0.00 175.76 177.83 2kkl s GLN 38 N 2.01 4.69 0.70 0.00 1.03 -1.26 -5.04 119.66 121.80 2kkl s GLN 38 Ca -0.07 1.62 -0.11 0.00 0.04 0.00 0.00 55.36 56.84 2kkl s GLN 38 Cb -0.06 -3.16 0.02 0.00 0.03 0.00 0.00 33.01 29.84 2kkl s GLN 38 CO -0.18 0.32 1.08 0.00 -2.54 0.00 0.00 175.29 173.97 2kkl s ALA 39 N -1.23 2.93 0.00 2.60 0.00 -1.26 -4.93 121.76 119.87 2kkl s ALA 39 Ca 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2kkl s ALA 39 Cb -0.28 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2kkl s ALA 39 CO 0.35 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2kkl n GLY 40 N -2.99 -2.60 3.31 0.00 0.00 -1.26 -5.02 105.19 96.63 2kkl n GLY 40 Ca 0.07 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 2kkl n GLY 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kkl n THR 41 N -0.48 -4.27 -3.60 2.61 -1.04 -1.26 -5.00 114.28 101.25 2kkl n THR 41 Ca 0.00 0.38 -0.03 0.00 -2.04 0.00 0.00 64.05 62.37 2kkl n THR 41 Cb 0.00 -3.84 -0.06 0.00 -1.82 0.00 0.00 70.33 64.62 2kkl n THR 41 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2kkl s GLU 42 N -1.93 0.50 0.52 -2.82 -1.05 -1.26 -5.15 118.70 107.51 2kkl s GLU 42 Ca 0.22 1.00 -0.19 0.00 -0.15 0.00 0.00 54.97 55.85 2kkl s GLU 42 Cb -0.03 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.92 2kkl s GLU 42 CO 0.57 -0.13 1.06 -1.12 0.95 0.00 0.00 175.26 176.59 2kkl s SER 43 N 1.95 6.07 0.00 0.83 0.01 -1.26 -4.90 113.70 116.40 2kkl s SER 43 Ca -0.07 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2kkl s SER 43 Cb -0.06 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2kkl s SER 43 CO -0.18 -0.97 0.00 0.00 0.41 0.00 0.00 173.24 172.50 2kkl n ALA 44 N -1.26 0.25 -1.01 1.44 0.00 -1.26 -4.90 120.51 113.77 2kkl n ALA 44 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2kkl n ALA 44 Cb 0.52 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.05 2kkl n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kkl n VAL 45 N -1.04 3.09 1.59 0.00 0.24 -1.26 -4.33 118.33 116.61 2kkl n VAL 45 Ca 0.00 -2.11 0.15 0.00 -2.04 0.00 0.00 64.34 60.34 2kkl n VAL 45 Cb 0.00 -1.10 0.76 0.00 -1.47 0.00 0.00 33.84 32.03 2kkl n VAL 45 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kkl n SER 46 N -0.40 0.22 -0.26 -1.34 3.41 -1.26 -4.87 113.62 109.11 2kkl n SER 46 Ca 0.46 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2kkl n SER 46 Cb 0.79 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2kkl n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kkl n GLY 47 N 1.20 0.80 0.03 5.00 0.00 -1.26 -4.97 105.19 105.98 2kkl n GLY 47 Ca 0.17 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.10 2kkl n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kkl n VAL 48 N -0.74 0.00 0.00 1.61 0.24 -1.26 -4.24 118.33 113.93 2kkl n VAL 48 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2kkl n VAL 48 Cb 0.19 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2kkl n VAL 48 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2kkl n GLU 49 N -1.35 0.00 -3.04 7.34 4.07 -1.26 -4.40 120.64 121.99 2kkl n GLU 49 Ca 0.09 0.04 -0.45 0.00 -0.06 0.00 0.00 57.16 56.78 2kkl n GLU 49 Cb 0.31 -0.28 -0.03 0.00 -0.06 0.00 0.00 31.44 31.38 2kkl n GLU 49 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2kkl s GLY 50 N -1.62 1.93 0.12 8.31 0.00 -1.26 -4.81 107.32 109.99 2kkl s GLY 50 Ca 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 44.72 42.17 2kkl s GLY 50 CO 0.00 1.76 0.23 0.48 0.00 0.00 0.00 173.10 175.57 2kkl s LEU 51 N 2.44 4.26 0.98 0.66 0.05 -1.26 -4.93 118.68 120.87 2kkl s LEU 51 Ca 0.22 0.16 -0.24 0.00 0.05 0.00 0.00 54.13 54.32 2kkl s LEU 51 Cb -0.13 -2.85 -0.18 0.00 -2.05 0.00 0.00 46.19 40.98 2kkl s LEU 51 CO -0.02 0.10 -1.29 -2.65 -0.55 0.00 0.00 176.35 171.94 2kkl n PRO 52 N -0.20 0.00 -1.68 1.48 -0.02 -1.26 -4.78 135.00 128.53 2kkl n PRO 52 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 2kkl n PRO 52 Cb 0.53 -0.98 -0.01 0.00 -0.02 0.00 0.00 33.50 33.02 2kkl n PRO 52 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kkl n PRO 53 N 2.44 2.00 -3.26 0.52 -0.02 -1.26 -3.85 135.00 131.57 2kkl n PRO 53 Ca -0.02 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 2kkl n PRO 53 Cb 0.68 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.96 -0.43 3.25 -1.23 0.00 -1.26 -5.00 105.19 101.48 2kkl n GLY 54 Ca 0.06 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 2kkl n GLY 54 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kkl s LEU 55 N -1.88 0.66 0.21 0.99 2.96 -1.25 -4.77 118.68 115.60 2kkl s LEU 55 Ca 0.20 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 2kkl s LEU 55 Cb -0.03 1.24 -0.05 0.00 0.50 0.00 0.00 46.19 47.86 2kkl s LEU 55 CO 0.55 -0.18 0.02 0.00 -1.32 0.00 0.00 176.35 175.42 2kkl s ALA 56 N -0.06 1.62 0.11 5.97 0.00 -1.26 -4.35 121.76 123.78 2kkl s ALA 56 Ca -0.02 -1.72 0.05 0.00 0.00 0.00 0.00 51.96 50.27 2kkl s ALA 56 Cb -0.03 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2kkl s ALA 56 CO 0.01 -0.31 -0.12 -0.51 0.00 0.00 0.00 175.76 174.82 2kkl s LEU 57 N -3.26 2.40 -0.07 0.00 1.02 -0.85 -1.80 118.68 116.12 2kkl s LEU 57 Ca 0.28 -0.80 0.03 0.00 0.02 0.00 0.00 54.13 53.66 2kkl s LEU 57 Cb 0.06 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.81 2kkl s LEU 57 CO 0.08 -0.19 -0.14 -0.76 0.02 0.00 0.00 176.35 175.35 2kkl s LEU 58 N -2.42 2.70 -0.07 1.79 1.43 0.58 -2.68 118.68 120.01 2kkl s LEU 58 Ca 0.07 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2kkl s LEU 58 Cb -0.04 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2kkl s LEU 58 CO 0.02 0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 176.01 2kkl s VAL 59 N -0.39 1.60 0.15 -1.59 1.01 -1.11 -1.61 120.40 118.46 2kkl s VAL 59 Ca 0.04 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2kkl s VAL 59 Cb -0.12 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 2kkl s VAL 59 CO 0.02 0.46 1.20 -0.69 0.00 0.00 0.00 175.10 176.09 2kkl s VAL 60 N 0.35 3.70 0.00 2.92 1.01 -1.09 -1.95 120.40 125.34 2kkl s VAL 60 Ca -0.13 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2kkl s VAL 60 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2kkl s VAL 60 CO 0.05 0.19 0.00 0.29 0.00 0.00 0.00 175.10 175.63 2kkl n LYS 61 N 2.91 0.00 -4.42 2.72 5.02 -0.58 -4.49 118.16 119.32 2kkl n LYS 61 Ca 0.06 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.28 2kkl n LYS 61 Cb 0.45 -0.64 -0.13 0.00 -0.02 0.00 0.00 35.03 34.69 2kkl n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kkl s ARG 62 N -0.60 1.36 0.00 1.97 0.52 -1.26 -4.88 118.95 116.06 2kkl s ARG 62 Ca 0.00 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.95 2kkl s ARG 62 Cb 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.72 2kkl s ARG 62 CO 0.00 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.15 2kkl n GLY 63 N 1.08 0.96 0.24 -3.53 0.00 -1.26 -4.04 105.19 98.64 2kkl n GLY 63 Ca -0.18 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.61 2kkl n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl h PRO 64 N 0.00 0.00 0.00 1.61 0.13 -1.99 -3.34 132.00 128.41 2kkl h PRO 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkl h PRO 64 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 64 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2kkl n ASN 65 N -2.84 0.00 -1.84 1.44 3.02 -1.26 -5.09 115.26 108.69 2kkl n ASN 65 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2kkl n ASN 65 Cb 0.24 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kkl n ALA 66 N -1.59 -2.02 0.00 5.41 0.00 -1.26 -4.72 120.51 116.33 2kkl n ALA 66 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2kkl n ALA 66 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2kkl n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 67 N 0.14 3.39 3.77 0.00 0.00 -1.26 -5.04 105.19 106.18 2kkl n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.96 6.53 0.01 1.61 0.01 -1.26 -4.94 113.70 114.71 2kkl s SER 68 Ca 0.00 2.27 -0.10 0.00 1.31 0.00 0.00 55.95 59.43 2kkl s SER 68 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2kkl s SER 68 CO 0.00 -0.66 0.20 0.00 0.41 0.00 0.00 173.24 173.19 2kkl s ARG 69 N -2.39 0.61 0.04 12.44 1.70 -1.26 -2.68 118.95 127.41 2kkl s ARG 69 Ca 0.58 -0.43 0.05 0.00 -0.47 0.00 0.00 55.73 55.46 2kkl s ARG 69 Cb -0.28 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.33 2kkl s ARG 69 CO 0.35 -0.16 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.21 2kkl s PHE 70 N -1.78 1.20 0.03 5.89 0.08 -0.64 -4.95 117.98 117.81 2kkl s PHE 70 Ca -0.11 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 56.62 2kkl s PHE 70 Cb -0.05 -0.71 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 2kkl s PHE 70 CO 0.00 0.03 -0.03 -0.48 -0.10 0.00 0.00 175.22 174.64 2kkl s LEU 71 N -1.12 3.33 -0.33 -0.37 0.05 -1.26 -0.31 118.68 118.67 2kkl s LEU 71 Ca 0.01 -0.13 -0.15 0.00 0.05 0.00 0.00 54.13 53.91 2kkl s LEU 71 Cb -0.08 -1.97 -0.02 0.00 -2.05 0.00 0.00 46.19 42.08 2kkl s LEU 71 CO 0.01 0.25 0.34 -0.76 -0.55 0.00 0.00 176.35 175.63 2kkl s LEU 72 N -1.74 4.41 -0.72 1.48 1.43 -0.75 -4.74 118.68 118.05 2kkl s LEU 72 Ca 0.20 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 2kkl s LEU 72 Cb -0.11 -2.30 0.05 0.00 0.03 0.00 0.00 46.19 43.85 2kkl s LEU 72 CO 0.11 -0.30 2.73 -0.90 0.23 0.00 0.00 176.35 178.22 2kkl n ASP 73 N 5.32 6.92 -0.09 2.29 5.75 -1.26 -4.47 116.55 131.01 2kkl n ASP 73 Ca -0.10 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 2kkl n ASP 73 Cb 0.50 -1.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.29 2kkl n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kkl n GLN 74 N 1.33 0.00 0.00 0.11 6.02 -1.26 -4.82 117.38 118.76 2kkl n GLN 74 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2kkl n GLN 74 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 2kkl n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkl n ALA 75 N 0.50 0.00 -3.12 -1.58 0.00 -1.26 -4.56 120.51 110.48 2kkl n ALA 75 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2kkl n ALA 75 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2kkl n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kkl s ILE 76 N 0.00 3.54 -0.17 0.00 1.01 -1.26 -2.53 121.20 121.78 2kkl s ILE 76 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2kkl s ILE 76 Cb 0.00 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.94 2kkl s ILE 76 CO 0.00 0.48 -0.20 -0.89 0.00 0.00 0.00 174.94 174.33 2kkl s THR 77 N 0.67 2.03 0.61 2.92 2.01 -0.72 -4.98 115.64 118.17 2kkl s THR 77 Ca -0.03 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.95 2kkl s THR 77 Cb -0.15 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 2kkl s THR 77 CO 0.02 0.54 0.96 -0.94 -0.69 0.00 0.00 174.62 174.51 2kkl s SER 78 N 1.25 5.88 0.54 3.53 1.04 -1.26 -1.53 113.70 123.15 2kkl s SER 78 Ca 0.04 1.07 0.06 0.00 0.48 0.00 0.00 55.95 57.60 2kkl s SER 78 Cb -0.13 -2.10 0.06 0.00 0.10 0.00 0.00 66.02 63.94 2kkl s SER 78 CO -0.12 -0.97 0.48 0.00 0.98 0.00 0.00 173.24 173.61 2kkl n ALA 79 N -2.67 0.91 -0.78 5.32 0.00 -0.75 -4.47 120.51 118.06 2kkl n ALA 79 Ca 0.05 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.36 2kkl n ALA 79 Cb 0.56 0.82 0.00 0.00 0.00 0.00 0.00 19.45 20.83 2kkl n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 80 N -1.55 3.49 3.55 0.00 0.00 -1.25 -3.75 105.19 105.69 2kkl n GLY 80 Ca 0.02 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2kkl n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kkl s ARG 81 N 0.00 3.82 -0.29 1.61 3.52 0.11 -1.51 118.95 126.21 2kkl s ARG 81 Ca 0.00 -0.42 -0.21 0.00 -0.13 0.00 0.00 55.73 54.97 2kkl s ARG 81 Cb 0.00 -3.17 0.17 0.00 -1.56 0.00 0.00 34.95 30.39 2kkl s ARG 81 CO 0.00 0.14 1.19 -1.58 -0.81 0.00 0.00 175.30 174.24 2kkl s HIS 82 N 0.70 -0.28 0.56 5.12 2.46 -1.26 -4.64 115.29 117.95 2kkl s HIS 82 Ca 0.02 0.62 -0.19 0.00 0.47 0.00 0.00 55.06 55.98 2kkl s HIS 82 Cb -0.14 0.31 -0.05 0.00 -0.13 0.00 0.00 32.58 32.58 2kkl s HIS 82 CO 0.02 -0.14 1.14 -1.25 -2.47 0.00 0.00 174.74 172.04 2kkl s PRO 83 N 0.65 3.25 0.00 2.88 0.04 -1.26 -2.94 135.00 137.61 2kkl s PRO 83 Ca -0.01 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2kkl s PRO 83 Cb -0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2kkl s PRO 83 CO -0.12 -0.94 0.00 -3.47 0.04 0.00 0.00 177.00 172.51 2kkl n ASP 84 N -1.42 0.00 -4.73 6.66 2.03 -1.26 -4.92 116.55 112.91 2kkl n ASP 84 Ca 0.12 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.02 2kkl n ASP 84 Cb 0.51 -1.23 -0.03 0.00 -0.72 0.00 0.00 41.12 39.64 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kkl s SER 85 N -2.48 7.13 0.19 1.67 0.15 -1.15 -4.92 113.70 114.28 2kkl s SER 85 Ca 0.00 2.14 -0.10 0.00 0.70 0.00 0.00 55.95 58.69 2kkl s SER 85 Cb 0.00 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2kkl s SER 85 CO 0.00 -0.36 1.71 0.44 1.20 0.00 0.00 173.24 176.23 2kkl h ASP 86 N 5.60 0.98 -3.36 5.45 3.32 -1.85 -3.41 116.42 123.15 2kkl h ASP 86 Ca -0.44 -0.22 -0.58 0.00 0.02 0.00 0.00 57.03 55.82 2kkl h ASP 86 Cb 1.21 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 40.44 2kkl h ASP 86 CO 0.76 0.94 0.18 -0.63 -1.72 0.00 0.00 179.24 178.77 2kkl s ILE 87 N -5.37 4.99 -0.49 0.35 1.01 -1.26 -4.78 121.20 115.65 2kkl s ILE 87 Ca -0.12 1.41 0.03 0.00 0.00 0.00 0.00 60.65 61.97 2kkl s ILE 87 Cb 0.14 -4.03 0.15 0.00 0.01 0.00 0.00 42.46 38.72 2kkl s ILE 87 CO 0.83 0.14 0.31 0.12 0.00 0.00 0.00 174.94 176.34 2kkl s PHE 88 N 1.55 2.15 -0.66 3.97 5.36 -1.26 -4.49 117.98 124.60 2kkl s PHE 88 Ca 0.35 -2.60 -0.10 0.00 -0.96 0.00 0.00 56.93 53.61 2kkl s PHE 88 Cb -0.17 -1.87 0.17 0.00 -0.34 0.00 0.00 43.02 40.81 2kkl s PHE 88 CO 0.14 -0.74 0.55 -0.51 -1.46 0.00 0.00 175.22 173.20 2kkl s LEU 89 N -0.09 6.06 -1.02 6.12 1.43 -0.57 -4.99 118.68 125.61 2kkl s LEU 89 Ca 0.22 -2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 50.77 2kkl s LEU 89 Cb -0.14 -2.07 0.26 0.00 0.03 0.00 0.00 46.19 44.26 2kkl s LEU 89 CO -0.07 -0.58 1.00 1.51 0.23 0.00 0.00 176.35 178.44 2kkl s ASP 90 N 2.07 7.15 0.29 2.29 -4.77 -1.26 -4.24 116.67 118.20 2kkl s ASP 90 Ca 0.13 -3.31 -0.15 0.00 -3.30 0.00 0.00 52.55 45.92 2kkl s ASP 90 Cb -0.19 -2.21 0.01 0.00 -1.09 0.00 0.00 42.92 39.45 2kkl s ASP 90 CO -0.04 -0.38 0.61 1.51 0.70 0.00 0.00 175.17 177.57 2kkl s ASP 91 N 1.59 -0.01 1.13 2.11 1.47 -1.26 -5.12 116.67 116.58 2kkl s ASP 91 Ca 0.27 -0.93 -0.13 0.00 1.18 0.00 0.00 52.55 52.94 2kkl s ASP 91 Cb -0.10 0.69 0.26 0.00 -0.34 0.00 0.00 42.92 43.43 2kkl s ASP 91 CO -0.08 -1.32 1.04 -0.69 0.68 0.00 0.00 175.17 174.80 2kkl s VAL 92 N -3.57 2.03 0.00 2.11 1.01 -1.26 -2.72 120.40 118.01 2kkl s VAL 92 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2kkl s VAL 92 Cb -0.03 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2kkl s VAL 92 CO 0.10 -0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.54 2kkl n THR 93 N -4.77 0.00 -4.16 3.92 -2.24 -1.26 -4.79 114.28 100.98 2kkl n THR 93 Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 2kkl n THR 93 Cb 0.55 -0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.52 2kkl n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kkl s VAL 94 N -1.65 1.43 0.00 2.28 1.01 -1.10 -4.53 120.40 117.83 2kkl s VAL 94 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2kkl s VAL 94 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2kkl s VAL 94 CO 0.00 0.43 0.00 -1.54 0.00 0.00 0.00 175.10 173.99 2kkl n SER 95 N 4.58 0.00 -0.24 3.32 3.41 -1.26 -4.55 113.62 118.88 2kkl n SER 95 Ca -0.17 -0.21 -0.03 0.00 -0.26 0.00 0.00 58.87 58.20 2kkl n SER 95 Cb 0.50 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2kkl h ARG 96 N 0.00 1.06 -1.50 4.33 3.08 -1.88 -3.32 114.38 116.16 2kkl h ARG 96 Ca 0.00 -0.16 -0.30 0.00 0.07 0.00 0.00 59.98 59.59 2kkl h ARG 96 Cb 0.00 -0.19 -0.24 0.00 0.08 0.00 0.00 29.97 29.62 2kkl h ARG 96 CO 0.00 0.84 -0.65 -0.98 -1.07 0.00 0.00 179.97 178.11 2kkl s ARG 97 N -5.55 0.97 0.19 0.04 1.70 -1.25 0.10 118.95 115.15 2kkl s ARG 97 Ca -0.11 -1.31 -0.08 0.00 -0.47 0.00 0.00 55.73 53.75 2kkl s ARG 97 Cb 0.16 -0.52 0.09 0.00 -0.57 0.00 0.00 34.95 34.12 2kkl s ARG 97 CO 0.82 -1.33 1.66 1.25 -1.08 0.00 0.00 175.30 176.62 2kkl h HIS 98 N 5.53 1.16 -3.81 5.89 2.76 -1.78 -3.44 115.15 121.46 2kkl h HIS 98 Ca 0.12 -0.19 -0.24 0.00 -2.20 0.00 0.00 60.37 57.86 2kkl h HIS 98 Cb 1.05 -0.31 -0.15 0.00 1.55 0.00 0.00 27.41 29.56 2kkl h HIS 98 CO 0.17 1.01 -0.69 0.00 -1.30 0.00 0.00 177.93 177.13 2kkl s ALA 99 N -5.06 1.06 0.01 5.26 0.00 -1.26 -3.91 121.76 117.87 2kkl s ALA 99 Ca -0.12 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.45 2kkl s ALA 99 Cb 0.14 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2kkl s ALA 99 CO 0.86 -0.25 -0.04 -2.00 0.00 0.00 0.00 175.76 174.32 2kkl s GLU 100 N -3.85 0.32 -0.05 0.00 2.12 -0.93 -1.81 118.70 114.50 2kkl s GLU 100 Ca 0.15 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2kkl s GLU 100 Cb 0.05 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 2kkl s GLU 100 CO -0.03 0.03 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.53 2kkl s PHE 101 N -0.74 2.74 0.01 5.30 0.08 -0.58 -0.72 117.98 124.07 2kkl s PHE 101 Ca -0.06 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 56.88 2kkl s PHE 101 Cb -0.05 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 2kkl s PHE 101 CO -0.00 0.22 -0.05 0.50 -0.10 0.00 0.00 175.22 175.79 2kkl s ARG 102 N -0.80 0.36 -0.19 0.44 3.52 -0.78 -1.76 118.95 119.74 2kkl s ARG 102 Ca 0.12 -0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 55.31 2kkl s ARG 102 Cb -0.11 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.95 2kkl s ARG 102 CO 0.01 0.07 0.34 -1.17 -0.81 0.00 0.00 175.30 173.74 2kkl s LEU 103 N -0.41 4.18 0.00 -0.88 2.96 -1.05 -1.83 118.68 121.65 2kkl s LEU 103 Ca -0.01 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2kkl s LEU 103 Cb -0.03 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.23 2kkl s LEU 103 CO -0.00 -0.00 0.00 1.21 -1.32 0.00 0.00 176.35 176.24 2kkl n GLU 104 N 4.14 0.00 -0.22 1.98 2.13 -1.03 -4.92 120.64 122.73 2kkl n GLU 104 Ca -0.10 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.64 2kkl n GLU 104 Cb 0.51 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.25 2kkl n GLU 104 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2kkl h ASN 105 N 0.00 0.92 0.00 4.31 -0.26 -2.02 -3.41 115.58 115.12 2kkl h ASN 105 Ca 0.00 -0.23 -0.02 0.00 -0.56 0.00 0.00 56.30 55.49 2kkl h ASN 105 Cb 0.00 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 2kkl h ASN 105 CO 0.00 0.91 -0.05 -0.46 -1.06 0.00 0.00 177.43 176.77 2kkl n ASN 106 N -4.35 -0.17 -3.95 5.81 0.23 -1.26 -5.14 115.26 106.42 2kkl n ASN 106 Ca 0.03 -0.47 -0.14 0.00 -0.53 0.00 0.00 54.58 53.48 2kkl n ASN 106 Cb 0.24 0.05 -0.14 0.00 -2.08 0.00 0.00 39.78 37.85 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2kkl s GLU 107 N 0.00 0.32 0.38 -3.83 2.02 -1.26 -5.09 118.70 111.23 2kkl s GLU 107 Ca 0.00 -0.26 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 2kkl s GLU 107 Cb 0.00 -0.24 -0.09 0.00 0.10 0.00 0.00 34.13 33.90 2kkl s GLU 107 CO 0.00 0.06 1.02 -0.06 0.02 0.00 0.00 175.26 176.30 2kkl s PHE 108 N -0.40 3.38 0.09 1.61 0.08 -1.26 -2.45 117.98 119.03 2kkl s PHE 108 Ca -0.02 1.68 -0.01 0.00 0.12 0.00 0.00 56.93 58.70 2kkl s PHE 108 Cb -0.03 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 2kkl s PHE 108 CO -0.00 -0.39 -0.00 -0.80 -0.10 0.00 0.00 175.22 173.93 2kkl s ASN 109 N -1.59 0.53 -0.06 1.36 0.01 -0.76 -2.07 114.94 112.36 2kkl s ASN 109 Ca 0.56 -1.09 0.03 0.00 -0.71 0.00 0.00 52.86 51.66 2kkl s ASN 109 Cb -0.21 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.68 2kkl s ASN 109 CO 0.26 -0.63 -0.16 0.54 -1.51 0.00 0.00 177.10 175.60 2kkl s VAL 110 N -3.92 1.37 -0.05 1.60 0.11 -0.79 -1.86 120.40 116.85 2kkl s VAL 110 Ca 0.15 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 2kkl s VAL 110 Cb 0.07 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2kkl s VAL 110 CO -0.04 0.40 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.29 2kkl s VAL 111 N 0.33 1.28 0.21 2.04 1.01 0.11 -2.36 120.40 123.02 2kkl s VAL 111 Ca -0.10 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 2kkl s VAL 111 Cb -0.14 -1.13 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 2kkl s VAL 111 CO 0.04 0.38 1.01 -1.81 0.00 0.00 0.00 175.10 174.71 2kkl s ASP 112 N 0.33 7.47 -0.04 3.32 1.11 -1.17 -2.18 116.67 125.51 2kkl s ASP 112 Ca -0.09 2.01 0.09 0.00 0.18 0.00 0.00 52.55 54.74 2kkl s ASP 112 Cb -0.13 -2.61 0.25 0.00 1.07 0.00 0.00 42.92 41.50 2kkl s ASP 112 CO 0.03 -0.02 1.20 1.33 1.18 0.00 0.00 175.17 178.89 2kkl n VAL 113 N 1.87 1.27 -3.60 -1.27 0.24 -1.25 -4.96 118.33 110.63 2kkl n VAL 113 Ca -0.00 -1.24 -0.02 0.00 -2.04 0.00 0.00 64.34 61.04 2kkl n VAL 113 Cb 0.47 0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.11 2kkl n VAL 113 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kkl s GLY 114 N -1.30 -0.51 0.14 7.63 0.00 -1.26 -5.06 107.32 106.96 2kkl s GLY 114 Ca 0.20 2.60 0.00 0.00 0.00 0.00 0.00 44.72 47.52 2kkl s GLY 114 CO 0.09 2.87 0.00 -1.14 0.00 0.00 0.00 173.10 174.92 2kkl n SER 115 N 4.84 -8.91 -0.27 1.64 3.41 -1.26 -4.40 113.62 108.67 2kkl n SER 115 Ca -0.14 1.48 -0.07 0.00 -0.26 0.00 0.00 58.87 59.88 2kkl n SER 115 Cb 0.53 -4.97 0.05 0.00 -0.26 0.00 0.00 64.21 59.57 2kkl n SER 115 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kkl h LEU 116 N 4.15 1.10 -0.00 1.04 4.07 -1.96 -0.96 115.31 122.74 2kkl h LEU 116 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2kkl h LEU 116 Cb 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.45 2kkl h LEU 116 CO 0.00 1.02 0.00 -3.20 -1.08 0.00 0.00 178.44 175.18 2kkl n ASN 117 N -4.24 0.00 0.00 -0.43 2.85 -1.26 -4.50 115.26 107.68 2kkl n ASN 117 Ca 0.06 -1.55 0.00 0.00 -0.11 0.00 0.00 54.58 52.98 2kkl n ASN 117 Cb 0.24 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.26 2kkl n ASN 117 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kkl n GLY 118 N 0.73 -2.01 3.76 8.20 0.00 -0.37 -4.70 105.19 110.80 2kkl n GLY 118 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2kkl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkl s THR 119 N 0.00 2.53 0.04 2.61 2.01 -1.26 -5.02 115.64 116.56 2kkl s THR 119 Ca 0.00 0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 2kkl s THR 119 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2kkl s THR 119 CO 0.00 0.11 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.30 2kkl s TYR 120 N -0.77 0.44 0.20 4.92 -0.85 -1.26 -4.20 117.35 115.83 2kkl s TYR 120 Ca 0.53 -0.91 0.06 0.00 -0.52 0.00 0.00 57.07 56.23 2kkl s TYR 120 Cb -0.42 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.56 2kkl s TYR 120 CO 0.52 -0.35 0.12 0.54 -1.52 0.00 0.00 175.55 174.86 2kkl s VAL 121 N -3.34 4.25 0.38 -3.49 0.11 -1.26 -4.50 120.40 112.54 2kkl s VAL 121 Ca 0.02 -1.30 0.21 0.00 -2.93 0.00 0.00 61.98 57.97 2kkl s VAL 121 Cb 0.04 -3.21 0.37 0.00 -1.53 0.00 0.00 36.38 32.05 2kkl s VAL 121 CO -0.08 -0.20 1.60 0.78 -3.33 0.00 0.00 175.10 173.87 2kkl h ASN 122 N 2.16 0.35 0.00 3.54 -0.26 -2.02 -3.08 115.58 116.27 2kkl h ASN 122 Ca -0.47 0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 2kkl h ASN 122 Cb 1.22 0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.70 2kkl h ASN 122 CO 0.61 -0.34 0.00 0.54 -1.06 0.00 0.00 177.43 177.18 2kkl n ARG 123 N -5.13 0.00 -3.89 0.81 1.74 -1.26 -4.98 116.66 103.96 2kkl n ARG 123 Ca 0.37 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.34 2kkl n ARG 123 Cb 1.26 -0.35 -0.11 0.00 -1.02 0.00 0.00 32.46 32.23 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2kkl s GLU 124 N 0.00 0.30 0.18 5.56 -1.05 -1.16 -5.13 118.70 117.40 2kkl s GLU 124 Ca 0.00 -0.27 -0.33 0.00 -0.15 0.00 0.00 54.97 54.22 2kkl s GLU 124 Cb 0.00 0.12 -0.15 0.00 -0.44 0.00 0.00 34.13 33.66 2kkl s GLU 124 CO 0.00 -0.06 1.25 -2.30 0.95 0.00 0.00 175.26 175.10 2kkl n PRO 125 N 2.06 1.38 -3.93 -4.83 -0.02 -1.26 -4.08 135.00 124.32 2kkl n PRO 125 Ca -0.19 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2kkl n PRO 125 Cb 0.57 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 2kkl n PRO 125 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kkl s VAL 126 N -0.05 0.15 -0.35 -1.45 -7.23 -1.26 -4.95 120.40 105.26 2kkl s VAL 126 Ca 0.74 -1.24 0.27 0.00 -1.81 0.00 0.00 61.98 59.94 2kkl s VAL 126 Cb -0.81 -1.14 0.31 0.00 0.56 0.00 0.00 36.38 35.29 2kkl s VAL 126 CO 0.51 -0.68 1.79 0.44 -0.31 0.00 0.00 175.10 176.85 2kkl h ASP 127 N 3.28 0.00 -5.02 4.85 3.32 -1.89 -3.45 116.42 117.51 2kkl h ASP 127 Ca -0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 2kkl h ASP 127 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 2kkl h ASP 127 CO 0.55 0.00 0.15 -0.94 -1.72 0.00 0.00 179.24 177.28 2kkl s SER 128 N -4.94 -0.46 0.03 6.45 1.04 -1.26 -3.02 113.70 111.54 2kkl s SER 128 Ca 0.05 -0.14 -0.26 0.00 0.48 0.00 0.00 55.95 56.08 2kkl s SER 128 Cb 0.09 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.86 2kkl s SER 128 CO 0.50 -0.99 0.60 0.00 0.98 0.00 0.00 173.24 174.34 2kkl s ALA 129 N -3.78 -1.57 -0.22 5.32 0.00 -0.99 -5.01 121.76 115.51 2kkl s ALA 129 Ca 0.03 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2kkl s ALA 129 Cb -0.01 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 2kkl s ALA 129 CO -0.10 -0.51 0.20 0.08 0.00 0.00 0.00 175.76 175.43 2kkl s VAL 130 N -2.22 5.34 0.37 0.00 1.01 -1.26 -1.89 120.40 121.75 2kkl s VAL 130 Ca -0.06 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 2kkl s VAL 130 Cb -0.01 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 2kkl s VAL 130 CO 0.01 0.36 0.96 -0.76 0.00 0.00 0.00 175.10 175.66 2kkl s LEU 131 N 0.86 4.18 -0.01 3.92 1.43 -0.88 -4.99 118.68 123.20 2kkl s LEU 131 Ca 0.10 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.83 2kkl s LEU 131 Cb -0.13 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2kkl s LEU 131 CO 0.03 -0.21 0.39 0.00 0.23 0.00 0.00 176.35 176.79 2kkl s ALA 132 N -1.81 -0.98 -0.12 4.21 0.00 -1.26 -4.63 121.76 117.16 2kkl s ALA 132 Ca 0.55 0.46 -0.39 0.00 0.00 0.00 0.00 51.96 52.58 2kkl s ALA 132 Cb -0.16 0.13 -0.17 0.00 0.00 0.00 0.00 23.12 22.92 2kkl s ALA 132 CO 0.20 -0.32 1.52 -1.71 0.00 0.00 0.00 175.76 175.45 2kkl n ASN 133 N 1.03 1.82 0.00 0.00 2.85 -1.26 -0.37 115.26 119.32 2kkl n ASN 133 Ca -0.20 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 2kkl n ASN 133 Cb 0.57 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.46 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kkl n GLY 134 N 3.28 0.74 3.88 8.20 0.00 -1.06 -5.04 105.19 115.20 2kkl n GLY 134 Ca 0.23 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.17 6.51 -0.08 1.61 1.11 0.50 -4.95 116.67 119.20 2kkl s ASP 135 Ca 0.00 1.04 0.03 0.00 0.18 0.00 0.00 52.55 53.80 2kkl s ASP 135 Cb 0.00 -2.28 -0.02 0.00 1.07 0.00 0.00 42.92 41.69 2kkl s ASP 135 CO 0.00 -0.35 -0.16 -0.70 1.18 0.00 0.00 175.17 175.14 2kkl s GLU 136 N -3.77 2.79 -0.06 8.23 2.12 -1.26 -0.81 118.70 125.94 2kkl s GLU 136 Ca 0.50 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2kkl s GLU 136 Cb -0.10 -2.41 0.01 0.00 0.26 0.00 0.00 34.13 31.88 2kkl s GLU 136 CO 0.31 0.44 -0.15 0.08 -0.54 0.00 0.00 175.26 175.40 2kkl s VAL 137 N -0.27 1.31 -0.16 3.70 1.01 0.01 -4.62 120.40 121.38 2kkl s VAL 137 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2kkl s VAL 137 Cb -0.13 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2kkl s VAL 137 CO 0.03 0.39 -0.21 -1.58 0.00 0.00 0.00 175.10 173.73 2kkl s GLN 138 N 0.39 2.96 -0.10 2.72 0.74 -1.26 -0.77 119.66 124.35 2kkl s GLN 138 Ca -0.11 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.50 2kkl s GLN 138 Cb -0.14 -2.48 0.01 0.00 1.10 0.00 0.00 33.01 31.50 2kkl s GLN 138 CO 0.04 -0.13 -0.15 0.42 -0.55 0.00 0.00 175.29 174.92 2kkl s ILE 139 N 1.09 1.46 0.00 -2.34 1.01 -0.97 -4.59 121.20 116.86 2kkl s ILE 139 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2kkl s ILE 139 Cb -0.14 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2kkl s ILE 139 CO -0.08 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2kkl n GLY 140 N 4.08 3.03 0.12 6.18 0.00 -1.26 -1.72 105.19 115.61 2kkl n GLY 140 Ca -0.20 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2kkl n GLY 140 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kkl n LYS 141 N 14.00 0.37 -3.63 1.61 2.85 -1.26 -4.89 118.16 127.21 2kkl n LYS 141 Ca 0.00 -0.23 -0.35 0.00 -1.05 0.00 0.00 58.31 56.67 2kkl n LYS 141 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.83 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kkl s PHE 142 N -2.80 3.61 -0.10 5.58 0.40 -0.70 -4.96 117.98 119.01 2kkl s PHE 142 Ca 0.16 0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 57.22 2kkl s PHE 142 Cb 0.18 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 2kkl s PHE 142 CO 0.65 0.58 -0.02 1.03 0.70 0.00 0.00 175.22 178.15 2kkl s ARG 143 N -1.68 3.15 0.08 0.44 0.52 -1.26 -2.30 118.95 117.91 2kkl s ARG 143 Ca 0.29 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2kkl s ARG 143 Cb -0.14 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 2kkl s ARG 143 CO 0.16 0.55 -0.09 -0.51 0.02 0.00 0.00 175.30 175.43 2kkl s LEU 144 N -0.48 2.37 -0.04 2.53 1.02 0.06 -1.53 118.68 122.60 2kkl s LEU 144 Ca 0.08 -0.76 0.05 0.00 0.02 0.00 0.00 54.13 53.53 2kkl s LEU 144 Cb -0.12 -0.23 -0.01 0.00 0.02 0.00 0.00 46.19 45.85 2kkl s LEU 144 CO 0.02 -0.27 -0.20 0.54 0.02 0.00 0.00 176.35 176.46 2kkl s VAL 145 N -2.27 1.65 -0.38 -1.59 0.11 -0.82 -0.81 120.40 116.29 2kkl s VAL 145 Ca 0.02 -0.85 -0.19 0.00 -2.93 0.00 0.00 61.98 58.02 2kkl s VAL 145 Cb -0.04 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 2kkl s VAL 145 CO -0.01 0.47 0.58 0.12 -3.33 0.00 0.00 175.10 172.93 2kkl s PHE 146 N -0.15 3.14 0.03 1.54 2.19 0.01 -2.74 117.98 121.99 2kkl s PHE 146 Ca -0.01 0.15 0.02 0.00 0.33 0.00 0.00 56.93 57.42 2kkl s PHE 146 Cb -0.11 -3.09 -0.02 0.00 -1.31 0.00 0.00 43.02 38.49 2kkl s PHE 146 CO 0.02 -0.65 -0.06 -0.51 1.83 0.00 0.00 175.22 175.85 2kkl s LEU 147 N 2.58 2.20 0.57 6.12 1.43 -1.09 -2.56 118.68 127.92 2kkl s LEU 147 Ca 0.21 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2kkl s LEU 147 Cb -0.15 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 45.98 2kkl s LEU 147 CO 0.15 -0.17 0.82 0.42 0.23 0.00 0.00 176.35 177.81 2kkl s THR 148 N -1.11 3.01 -1.07 5.49 -4.23 -1.26 -2.00 115.64 114.47 2kkl s THR 148 Ca -0.09 -0.44 -0.27 0.00 -1.18 0.00 0.00 61.69 59.71 2kkl s THR 148 Cb -0.08 -3.17 -0.24 0.00 1.34 0.00 0.00 72.50 70.35 2kkl s THR 148 CO -0.00 -0.14 2.10 0.61 -0.54 0.00 0.00 174.62 176.65 2kkl n GLY 149 N -2.45 -0.47 0.72 3.99 0.00 -1.26 -4.75 105.19 100.98 2kkl n GLY 149 Ca 0.06 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2kkl n GLY 149 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kkl n HIS 150 N 19.81 -1.71 1.16 1.61 -0.00 -1.26 -4.28 115.22 130.55 2kkl n HIS 150 Ca 0.40 0.86 0.13 0.00 -0.00 0.00 0.00 57.72 59.11 2kkl n HIS 150 Cb 0.47 -1.55 0.24 0.00 -0.00 0.00 0.00 29.99 29.14 2kkl n HIS 150 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2kkl n LYS 151 N -2.38 2.07 0.00 -0.41 5.02 -1.26 -4.16 118.16 117.04 2kkl n LYS 151 Ca 0.00 -1.58 0.03 0.00 -2.02 0.00 0.00 58.31 54.74 2kkl n LYS 151 Cb 0.58 -1.47 0.17 0.00 -0.02 0.00 0.00 35.03 34.29 2kkl n LYS 151 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kkl n GLN 152 N 0.92 0.26 -0.22 1.97 1.13 -1.26 -3.47 117.38 116.70 2kkl n GLN 152 Ca 0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2kkl n GLN 152 Cb 0.52 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.52 2kkl n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kkl n GLY 153 N -0.41 1.74 3.77 1.08 0.00 -1.26 -4.88 105.19 105.23 2kkl n GLY 153 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2kkl n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kkl s GLU 154 N 0.46 4.26 0.59 1.61 0.41 -1.23 -4.97 118.70 119.84 2kkl s GLU 154 Ca 0.00 2.35 -0.17 0.00 -0.41 0.00 0.00 54.97 56.74 2kkl s GLU 154 Cb 0.00 -3.04 -0.03 0.00 -1.78 0.00 0.00 34.13 29.28 2kkl s GLU 154 CO 0.00 -0.33 1.12 -0.51 -0.49 0.00 0.00 175.26 175.05 2kkl s ASP 155 N -0.32 5.47 0.45 -0.19 1.01 -1.26 -4.97 116.67 116.87 2kkl s ASP 155 Ca 0.51 2.08 -0.25 0.00 0.71 0.00 0.00 52.55 55.60 2kkl s ASP 155 Cb -0.42 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 40.86 2kkl s ASP 155 CO 0.56 -1.39 1.39 -0.76 0.21 0.00 0.00 175.17 175.19 2kkl s LEU 156 N -4.29 4.10 -0.57 1.23 1.43 -1.26 -4.88 118.68 114.45 2kkl s LEU 156 Ca 0.70 2.85 -0.27 0.00 -1.03 0.00 0.00 54.13 56.37 2kkl s LEU 156 Cb -0.22 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.02 2kkl s LEU 156 CO 0.33 -1.16 1.73 -1.61 0.23 0.00 0.00 176.35 175.88 2kkl s GLU 157 N -2.47 2.90 0.26 1.70 0.41 -1.26 -4.79 118.70 115.45 2kkl s GLU 157 Ca 0.61 0.66 0.24 0.00 -0.41 0.00 0.00 54.97 56.08 2kkl s GLU 157 Cb -0.42 -4.30 0.43 0.00 -1.78 0.00 0.00 34.13 28.06 2kkl s GLU 157 CO 0.54 -2.41 1.50 1.12 -0.49 0.00 0.00 175.26 175.52 2kkl h HIS 158 N 13.63 0.00 -3.70 1.61 2.07 -2.05 -3.47 115.15 123.24 2kkl h HIS 158 Ca -0.27 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.17 2kkl h HIS 158 Cb 1.14 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.03 2kkl h HIS 158 CO 1.03 0.00 -0.13 -1.58 -3.07 0.00 0.00 177.93 174.18 2kkl s HIS 159 N -3.19 0.44 0.31 6.12 5.65 -1.26 -5.14 115.29 118.22 2kkl s HIS 159 Ca 0.07 -0.80 -0.29 0.00 0.25 0.00 0.00 55.06 54.29 2kkl s HIS 159 Cb 0.10 0.16 -0.10 0.00 -1.18 0.00 0.00 32.58 31.56 2kkl s HIS 159 CO 0.68 -1.01 1.26 -1.01 -0.65 0.00 0.00 174.74 174.01 2kkl s HIS 160 N -3.89 3.18 0.53 3.88 0.09 -1.26 -5.00 115.29 112.81 2kkl s HIS 160 Ca 0.23 1.47 -0.16 0.00 -0.00 0.00 0.00 55.06 56.60 2kkl s HIS 160 Cb -0.01 -3.59 -0.07 0.00 -0.00 0.00 0.00 32.58 28.92 2kkl s HIS 160 CO 0.10 -1.57 1.00 -3.38 -0.00 0.00 0.00 174.74 170.89 2kkl s HIS 161 N -1.06 3.41 -0.11 1.40 -3.43 -1.26 -4.54 115.29 109.71 2kkl s HIS 161 Ca 0.48 1.46 -0.01 0.00 -0.80 0.00 0.00 55.06 56.20 2kkl s HIS 161 Cb -0.38 -2.81 0.00 0.00 -1.43 0.00 0.00 32.58 27.96 2kkl s HIS 161 CO 0.49 -0.46 0.01 1.58 -2.00 0.00 0.00 174.74 174.36 2kkl n HIS 162 N -1.69 -1.49 0.00 0.38 -0.00 -1.26 -5.29 115.22 105.87 2kkl n HIS 162 Ca 0.07 0.69 0.00 0.00 0.46 0.00 0.00 57.72 58.94 2kkl n HIS 162 Cb 0.54 -2.10 0.00 0.00 -0.12 0.00 0.00 29.99 28.31 2kkl n HIS 162 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52