#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 -3.45 -1.53 1.45 7.35 -1.26 -4.84 117.46 115.18 2kkl n PHE 25 Ca 0.00 2.05 0.00 0.00 -0.76 0.00 0.00 57.45 58.74 2kkl n PHE 25 Cb 0.00 -3.04 0.00 0.00 0.35 0.00 0.00 39.48 36.79 2kkl n PHE 25 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2kkl n ARG 26 N 1.91 -3.65 -1.91 -4.13 0.63 -1.26 -4.74 116.66 103.50 2kkl n ARG 26 Ca -0.03 2.82 -0.41 0.00 -0.92 0.00 0.00 57.85 59.31 2kkl n ARG 26 Cb 0.05 -3.57 -0.01 0.00 0.45 0.00 0.00 32.46 29.37 2kkl n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kkl s ALA 27 N -5.07 3.61 -2.64 5.13 0.00 -1.26 -4.89 121.76 116.64 2kkl s ALA 27 Ca 0.00 1.45 0.26 0.00 0.00 0.00 0.00 51.96 53.67 2kkl s ALA 27 Cb 0.00 -3.58 0.55 0.00 0.00 0.00 0.00 23.12 20.10 2kkl s ALA 27 CO 0.00 -0.88 1.46 -0.40 0.00 0.00 0.00 175.76 175.94 2kkl n ASP 28 N 1.35 2.19 -0.01 0.00 5.75 -1.26 -3.90 116.55 120.68 2kkl n ASP 28 Ca 0.04 -1.68 0.08 0.00 -0.01 0.00 0.00 54.79 53.21 2kkl n ASP 28 Cb 0.40 0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.42 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2kkl n PHE 29 N 0.63 0.00 0.96 2.11 -1.74 -1.26 -4.33 117.46 113.84 2kkl n PHE 29 Ca 0.15 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.16 2kkl n PHE 29 Cb 0.47 -0.28 0.08 0.00 1.52 0.00 0.00 39.48 41.27 2kkl n PHE 29 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2kkl n LEU 30 N -1.90 0.71 0.03 5.98 4.77 -1.26 -3.93 117.00 121.41 2kkl n LEU 30 Ca -0.02 -0.21 0.12 0.00 -0.03 0.00 0.00 56.01 55.88 2kkl n LEU 30 Cb 0.38 -0.13 0.18 0.00 -2.33 0.00 0.00 43.42 41.52 2kkl n LEU 30 CO 0.34 0.17 0.33 -1.54 -1.33 0.00 0.00 177.39 175.36 2kkl n SER 31 N -1.54 0.60 -4.30 -1.43 3.41 -1.25 -4.76 113.62 104.35 2kkl n SER 31 Ca 0.05 -0.07 -0.36 0.00 -0.26 0.00 0.00 58.87 58.23 2kkl n SER 31 Cb 0.34 0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 2kkl n SER 31 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kkl s GLU 32 N -3.11 3.15 0.18 4.33 0.41 -1.25 -4.99 118.70 117.42 2kkl s GLU 32 Ca 0.08 -0.79 -0.11 0.00 -0.41 0.00 0.00 54.97 53.74 2kkl s GLU 32 Cb 0.15 -3.13 0.08 0.00 -1.78 0.00 0.00 34.13 29.45 2kkl s GLU 32 CO 0.73 -0.33 1.72 -0.07 -0.49 0.00 0.00 175.26 176.82 2kkl h LEU 33 N 8.13 0.89 -8.78 1.80 3.38 -1.87 -3.40 115.31 115.46 2kkl h LEU 33 Ca -0.36 -0.19 -0.62 0.00 0.09 0.00 0.00 57.88 56.80 2kkl h LEU 33 Cb 1.14 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 2kkl h LEU 33 CO 0.59 0.84 0.28 -0.62 0.09 0.00 0.00 178.44 179.62 2kkl s ASP 34 N -6.19 6.49 0.25 -0.43 2.15 -1.26 -4.66 116.67 113.01 2kkl s ASP 34 Ca -0.13 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2kkl s ASP 34 Cb 0.13 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2kkl s ASP 34 CO 0.81 -0.69 0.00 0.00 -0.17 0.00 0.00 175.17 175.12 2kkl n ALA 35 N 6.29 0.00 0.25 3.66 0.00 -1.26 -4.94 120.51 124.51 2kkl n ALA 35 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2kkl n ALA 35 Cb 0.48 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.65 2kkl n ALA 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kkl h PRO 36 N 0.00 0.00 0.00 0.00 0.13 -1.92 -3.47 132.00 126.74 2kkl h PRO 36 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkl h PRO 36 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 36 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2kkl n ALA 37 N -2.49 0.00 0.09 -0.56 0.00 -1.26 -2.78 120.51 113.51 2kkl n ALA 37 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2kkl n ALA 37 Cb 0.13 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.84 2kkl n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkl n GLN 38 N 0.00 2.51 -1.45 0.00 0.00 -1.26 -4.89 117.38 112.28 2kkl n GLN 38 Ca 0.00 -2.12 -0.16 0.00 0.00 0.00 0.00 57.00 54.72 2kkl n GLN 38 Cb 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 30.24 28.66 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kkl n ALA 39 N 1.13 -0.24 -1.36 2.61 0.00 -1.12 -4.96 120.51 116.58 2kkl n ALA 39 Ca 0.20 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2kkl n ALA 39 Cb 0.54 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2kkl n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 40 N -0.69 1.02 7.00 0.00 0.00 -1.26 -4.78 105.19 106.47 2kkl n GLY 40 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kkl n THR 41 N 0.00 0.00 -0.37 2.61 -2.24 -1.26 -4.54 114.28 108.49 2kkl n THR 41 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kkl n THR 41 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2kkl n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kkl n GLU 42 N -0.23 -0.89 -1.58 -0.78 0.28 -1.26 -3.88 120.64 112.30 2kkl n GLU 42 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 2kkl n GLU 42 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2kkl n GLU 42 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kkl n SER 43 N -2.62 -3.29 -0.09 -1.84 2.88 -1.26 -4.74 113.62 102.66 2kkl n SER 43 Ca 0.00 0.28 0.14 0.00 -1.33 0.00 0.00 58.87 57.96 2kkl n SER 43 Cb 0.00 -3.05 0.62 0.00 -0.75 0.00 0.00 64.21 61.03 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kkl n ALA 44 N -0.19 2.73 -1.85 -1.46 0.00 -1.25 -4.85 120.51 113.65 2kkl n ALA 44 Ca -0.12 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 2kkl n ALA 44 Cb 0.44 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 2kkl n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kkl s VAL 45 N -2.54 3.41 0.73 0.00 -7.23 -1.26 -5.02 120.40 108.49 2kkl s VAL 45 Ca 0.27 1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 61.67 2kkl s VAL 45 Cb 0.20 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.31 2kkl s VAL 45 CO 0.49 0.29 1.07 -0.94 -0.31 0.00 0.00 175.10 175.70 2kkl s SER 46 N -0.52 5.15 0.00 4.85 1.04 -1.26 -4.81 113.70 118.15 2kkl s SER 46 Ca 0.48 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.34 2kkl s SER 46 Cb -0.33 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2kkl s SER 46 CO 0.41 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2kkl n GLY 47 N -2.20 -1.70 3.75 7.32 0.00 -1.26 -5.01 105.19 106.09 2kkl n GLY 47 Ca 0.07 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 2kkl n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kkl s VAL 48 N 0.00 3.94 -0.83 1.61 -7.23 -1.26 -4.86 120.40 111.77 2kkl s VAL 48 Ca 0.00 1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 61.83 2kkl s VAL 48 Cb 0.00 -4.17 -0.21 0.00 0.56 0.00 0.00 36.38 32.56 2kkl s VAL 48 CO 0.00 0.39 2.16 1.21 -0.31 0.00 0.00 175.10 178.55 2kkl n GLU 49 N 1.78 0.25 -1.42 4.82 2.13 -1.26 -4.57 120.64 122.37 2kkl n GLU 49 Ca -0.00 -0.55 0.17 0.00 0.66 0.00 0.00 57.16 57.44 2kkl n GLU 49 Cb 0.47 -2.47 -0.08 0.00 0.27 0.00 0.00 31.44 29.62 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kkl n GLY 50 N 6.05 -2.85 2.86 8.31 0.00 -1.26 -4.92 105.19 113.38 2kkl n GLY 50 Ca 0.50 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 2kkl n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kkl s LEU 51 N -7.11 -0.80 0.24 0.99 0.05 -1.26 -5.04 118.68 105.75 2kkl s LEU 51 Ca 0.00 -1.56 -0.05 0.00 0.05 0.00 0.00 54.13 52.57 2kkl s LEU 51 Cb 0.00 1.32 0.38 0.00 -2.05 0.00 0.00 46.19 45.84 2kkl s LEU 51 CO 0.00 -0.15 1.82 -0.65 -0.55 0.00 0.00 176.35 176.81 2kkl h PRO 52 N 6.20 0.78 -0.92 1.48 0.11 -1.97 -2.29 132.00 135.39 2kkl h PRO 52 Ca 0.08 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2kkl h PRO 52 Cb 1.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2kkl h PRO 52 CO 0.13 0.52 0.00 -0.35 -0.21 0.00 0.00 178.00 178.08 2kkl n PRO 53 N -4.73 0.68 -3.15 1.05 -0.04 -1.26 -4.85 135.00 122.69 2kkl n PRO 53 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 2kkl n PRO 53 Cb 0.25 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2kkl n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kkl n GLY 54 N 0.34 -0.81 3.57 0.55 0.00 -0.86 -5.01 105.19 102.98 2kkl n GLY 54 Ca 0.00 1.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.84 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 -2.32 2.90 0.07 0.99 1.02 -1.26 -4.99 118.68 115.08 2kkl s LEU 55 Ca 0.27 -0.87 0.02 0.00 0.02 0.00 0.00 54.13 53.57 2kkl s LEU 55 Cb -0.05 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.74 2kkl s LEU 55 CO 0.75 -0.02 -0.07 0.00 0.02 0.00 0.00 176.35 177.03 2kkl s ALA 56 N -2.44 0.78 0.10 4.21 0.00 -1.26 -4.21 121.76 118.95 2kkl s ALA 56 Ca 0.31 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2kkl s ALA 56 Cb -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2kkl s ALA 56 CO 0.18 -0.12 -0.15 -0.51 0.00 0.00 0.00 175.76 175.16 2kkl s LEU 57 N -2.30 2.35 -0.10 0.00 1.02 -0.92 -2.43 118.68 116.31 2kkl s LEU 57 Ca 0.01 -0.73 0.01 0.00 0.02 0.00 0.00 54.13 53.44 2kkl s LEU 57 Cb -0.02 -0.57 -0.02 0.00 0.02 0.00 0.00 46.19 45.59 2kkl s LEU 57 CO -0.02 -0.10 -0.13 -0.76 0.02 0.00 0.00 176.35 175.36 2kkl s LEU 58 N -2.17 2.77 -0.06 1.79 1.43 -1.05 -2.79 118.68 118.61 2kkl s LEU 58 Ca 0.05 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2kkl s LEU 58 Cb -0.07 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2kkl s LEU 58 CO 0.03 0.25 -0.24 -0.69 0.23 0.00 0.00 176.35 175.93 2kkl s VAL 59 N -0.13 1.97 -0.35 -1.59 1.01 -1.07 -1.28 120.40 118.96 2kkl s VAL 59 Ca -0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 2kkl s VAL 59 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2kkl s VAL 59 CO 0.03 0.55 1.58 -0.69 0.00 0.00 0.00 175.10 176.58 2kkl s VAL 60 N -0.11 3.72 0.12 2.92 1.01 -1.04 -1.69 120.40 125.33 2kkl s VAL 60 Ca -0.05 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 2kkl s VAL 60 Cb -0.14 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2kkl s VAL 60 CO 0.04 -0.55 1.62 0.50 0.00 0.00 0.00 175.10 176.71 2kkl h LYS 61 N 11.48 0.58 -3.76 2.72 3.64 -1.66 -3.23 116.57 126.34 2kkl h LYS 61 Ca -0.31 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 58.77 2kkl h LYS 61 Cb 1.14 -0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.66 2kkl h LYS 61 CO 1.05 0.62 -0.62 1.03 -2.27 0.00 0.00 179.45 179.26 2kkl s ARG 62 N -5.30 0.33 0.00 1.90 0.52 -1.23 -4.86 118.95 110.30 2kkl s ARG 62 Ca -0.13 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 2kkl s ARG 62 Cb 0.09 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.69 2kkl s ARG 62 CO 0.76 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.42 2kkl n GLY 63 N 1.79 0.14 0.35 -3.53 0.00 -1.26 -4.28 105.19 98.39 2kkl n GLY 63 Ca -0.22 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.33 2kkl n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kkl h PRO 64 N 0.00 0.93 -1.52 1.61 0.11 -2.01 -2.40 132.00 128.73 2kkl h PRO 64 Ca 0.00 -0.06 -0.63 0.00 0.11 0.00 0.00 66.00 65.42 2kkl h PRO 64 Cb 0.00 -0.21 -0.38 0.00 0.11 0.00 0.00 31.00 30.52 2kkl h PRO 64 CO 0.00 0.62 -0.21 0.27 -0.21 0.00 0.00 178.00 178.46 2kkl n ASN 65 N -4.64 5.59 -4.54 -2.05 6.94 -1.26 -5.00 115.26 110.30 2kkl n ASN 65 Ca 0.18 -3.76 -0.28 0.00 -0.02 0.00 0.00 54.58 50.70 2kkl n ASN 65 Cb 0.34 -0.62 -0.09 0.00 -2.36 0.00 0.00 39.78 37.05 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kkl n ALA 66 N -0.55 0.61 0.00 -2.53 0.00 -0.91 -1.67 120.51 115.46 2kkl n ALA 66 Ca 0.45 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2kkl n ALA 66 Cb 0.59 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.07 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 6.27 0.23 3.74 0.00 0.00 -1.22 -4.98 105.19 109.24 2kkl n GLY 67 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkl s SER 68 N 0.00 4.84 0.13 1.61 0.15 -0.67 -4.80 113.70 114.96 2kkl s SER 68 Ca 0.00 2.51 0.05 0.00 0.70 0.00 0.00 55.95 59.21 2kkl s SER 68 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2kkl s SER 68 CO 0.00 -1.84 -0.13 0.00 1.20 0.00 0.00 173.24 172.48 2kkl s ARG 69 N -3.38 1.02 0.05 5.44 1.70 -1.26 -2.50 118.95 120.01 2kkl s ARG 69 Ca 0.80 -1.29 0.06 0.00 -0.47 0.00 0.00 55.73 54.83 2kkl s ARG 69 Cb -0.34 -0.79 -0.02 0.00 -0.57 0.00 0.00 34.95 33.22 2kkl s ARG 69 CO 0.37 0.14 -0.16 -0.06 -1.08 0.00 0.00 175.30 174.50 2kkl s PHE 70 N -2.49 1.44 -0.21 5.89 0.08 -0.40 -4.95 117.98 117.34 2kkl s PHE 70 Ca 0.11 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.72 2kkl s PHE 70 Cb -0.03 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 2kkl s PHE 70 CO 0.02 0.07 0.05 -1.17 -0.10 0.00 0.00 175.22 174.09 2kkl s LEU 71 N -1.24 3.55 -1.15 -0.37 2.96 -1.26 -2.52 118.68 118.65 2kkl s LEU 71 Ca 0.03 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 2kkl s LEU 71 Cb -0.08 -1.92 0.25 0.00 0.50 0.00 0.00 46.19 44.94 2kkl s LEU 71 CO 0.02 0.08 1.31 0.18 -1.32 0.00 0.00 176.35 176.61 2kkl n LEU 72 N 4.18 5.66 -0.91 -0.68 4.77 -1.02 -4.76 117.00 124.24 2kkl n LEU 72 Ca -0.16 -4.89 0.06 0.00 -0.03 0.00 0.00 56.01 50.99 2kkl n LEU 72 Cb 0.52 -1.49 0.19 0.00 -2.33 0.00 0.00 43.42 40.32 2kkl n LEU 72 CO 0.33 1.24 0.64 -0.67 -1.33 0.00 0.00 177.39 177.60 2kkl n ASP 73 N 3.33 2.61 -4.17 -1.43 2.03 -1.26 -4.45 116.55 113.21 2kkl n ASP 73 Ca 0.29 -2.15 -0.25 0.00 0.52 0.00 0.00 54.79 53.20 2kkl n ASP 73 Cb 0.39 -0.37 -0.15 0.00 -0.72 0.00 0.00 41.12 40.27 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 -1.60 1.40 0.14 -0.67 -0.21 -1.26 -5.04 119.66 112.41 2kkl s GLN 74 Ca 0.28 -0.66 -0.18 0.00 0.02 0.00 0.00 55.36 54.83 2kkl s GLN 74 Cb 0.17 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 2kkl s GLN 74 CO 0.16 0.37 1.79 0.00 -2.12 0.00 0.00 175.29 175.49 2kkl h ALA 75 N 5.61 0.39 -2.95 6.09 0.00 -1.96 -3.40 119.26 123.04 2kkl h ALA 75 Ca -0.37 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 2kkl h ALA 75 Cb 1.15 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.59 2kkl h ALA 75 CO 0.48 -0.14 -0.61 0.42 0.00 0.00 0.00 179.25 179.40 2kkl s ILE 76 N -6.12 4.31 -0.14 0.00 -1.09 -1.26 -1.59 121.20 115.30 2kkl s ILE 76 Ca -0.13 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2kkl s ILE 76 Cb 0.10 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 2kkl s ILE 76 CO 0.71 0.25 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.61 2kkl s THR 77 N 1.60 1.71 0.61 2.92 2.01 -0.96 -4.95 115.64 118.58 2kkl s THR 77 Ca 0.06 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 2kkl s THR 77 Cb -0.16 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.82 2kkl s THR 77 CO 0.04 0.48 0.90 -0.55 -0.69 0.00 0.00 174.62 174.80 2kkl s SER 78 N 1.15 5.30 0.07 3.53 0.15 -1.26 -0.88 113.70 121.76 2kkl s SER 78 Ca -0.01 0.48 0.09 0.00 0.70 0.00 0.00 55.95 57.20 2kkl s SER 78 Cb -0.14 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 2kkl s SER 78 CO -0.06 -1.23 -0.24 0.00 1.20 0.00 0.00 173.24 172.92 2kkl s ALA 79 N -3.00 2.03 0.00 5.45 0.00 -0.05 -4.40 121.76 121.78 2kkl s ALA 79 Ca 0.56 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kkl s ALA 79 Cb -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2kkl s ALA 79 CO 0.43 0.46 0.00 0.41 0.00 0.00 0.00 175.76 177.06 2kkl n GLY 80 N 1.47 0.67 3.69 0.00 0.00 -1.26 -3.97 105.19 105.80 2kkl n GLY 80 Ca -0.18 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 3.74 0.00 1.61 0.52 -1.24 -2.37 118.95 121.20 2kkl s ARG 81 Ca 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 2kkl s ARG 81 Cb 0.00 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.31 2kkl s ARG 81 CO 0.00 0.43 0.00 0.72 0.02 0.00 0.00 175.30 176.47 2kkl n HIS 82 N 3.03 0.00 0.49 -0.53 8.25 -1.26 -4.93 115.22 120.27 2kkl n HIS 82 Ca -0.17 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.41 2kkl n HIS 82 Cb 0.53 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.10 2kkl n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kkl n PRO 83 N 0.00 0.22 -0.01 -0.41 -0.04 -1.26 -2.90 135.00 130.60 2kkl n PRO 83 Ca 0.00 0.34 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2kkl n PRO 83 Cb 0.00 -1.85 -0.13 0.00 -0.04 0.00 0.00 33.50 31.48 2kkl n PRO 83 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kkl n ASP 84 N -2.26 0.28 -4.76 3.54 -0.08 -1.26 -4.93 116.55 107.09 2kkl n ASP 84 Ca 0.04 0.12 -0.40 0.00 -1.51 0.00 0.00 54.79 53.03 2kkl n ASP 84 Cb 0.31 1.14 -0.04 0.00 2.34 0.00 0.00 41.12 44.87 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kkl s SER 85 N -5.16 7.28 0.18 1.67 0.15 -1.14 -4.94 113.70 111.73 2kkl s SER 85 Ca -0.07 2.26 -0.10 0.00 0.70 0.00 0.00 55.95 58.74 2kkl s SER 85 Cb 0.10 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.86 2kkl s SER 85 CO 0.85 -0.13 1.69 0.44 1.20 0.00 0.00 173.24 177.29 2kkl h ASP 86 N 3.85 0.95 -3.37 5.45 3.32 -1.87 -3.42 116.42 121.34 2kkl h ASP 86 Ca -0.47 -0.23 -0.56 0.00 0.02 0.00 0.00 57.03 55.79 2kkl h ASP 86 Cb 1.21 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 2kkl h ASP 86 CO 0.67 0.94 0.18 -0.63 -1.72 0.00 0.00 179.24 178.68 2kkl s ILE 87 N -5.31 4.99 -0.51 0.35 1.01 -1.26 -4.93 121.20 115.54 2kkl s ILE 87 Ca -0.12 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.18 2kkl s ILE 87 Cb 0.13 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.64 2kkl s ILE 87 CO 0.83 0.21 0.33 0.12 0.00 0.00 0.00 174.94 176.43 2kkl s PHE 88 N 0.95 2.24 -0.35 3.97 5.36 -1.26 -4.44 117.98 124.45 2kkl s PHE 88 Ca 0.41 -2.67 -0.07 0.00 -0.96 0.00 0.00 56.93 53.64 2kkl s PHE 88 Cb -0.18 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.63 2kkl s PHE 88 CO 0.20 -0.73 0.14 -0.51 -1.46 0.00 0.00 175.22 172.86 2kkl s LEU 89 N -0.24 4.48 0.00 6.12 1.43 -1.00 -5.00 118.68 124.48 2kkl s LEU 89 Ca 0.23 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2kkl s LEU 89 Cb -0.12 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2kkl s LEU 89 CO -0.09 -0.36 0.00 0.47 0.23 0.00 0.00 176.35 176.60 2kkl n ASP 90 N 4.85 0.00 0.00 2.29 8.00 -1.26 -4.30 116.55 126.12 2kkl n ASP 90 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2kkl n ASP 90 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2kkl n ASP 90 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kkl n ASP 91 N 0.00 0.00 -4.78 -2.24 5.68 -1.26 -4.62 116.55 109.33 2kkl n ASP 91 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 2kkl n ASP 91 Cb 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 2kkl n ASP 91 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2kkl s VAL 92 N 0.00 3.36 0.00 2.12 -7.23 -1.26 -4.79 120.40 112.59 2kkl s VAL 92 Ca 0.00 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 2kkl s VAL 92 Cb 0.00 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2kkl s VAL 92 CO 0.00 -0.58 0.00 0.35 -0.31 0.00 0.00 175.10 174.56 2kkl n THR 93 N -3.47 0.00 -3.15 5.32 -2.24 -1.26 -4.80 114.28 104.67 2kkl n THR 93 Ca 0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.83 2kkl n THR 93 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2kkl n THR 93 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kkl n VAL 94 N 0.00 -3.51 -1.09 2.28 0.31 -1.26 -4.91 118.33 110.14 2kkl n VAL 94 Ca 0.00 0.64 -0.29 0.00 -0.01 0.00 0.00 64.34 64.68 2kkl n VAL 94 Cb 0.00 -3.58 0.21 0.00 -0.91 0.00 0.00 33.84 29.56 2kkl n VAL 94 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kkl s SER 95 N -1.14 1.73 0.18 4.52 0.15 -1.26 -4.85 113.70 113.03 2kkl s SER 95 Ca 0.04 0.94 -0.13 0.00 0.70 0.00 0.00 55.95 57.50 2kkl s SER 95 Cb -0.00 -1.44 0.09 0.00 -1.71 0.00 0.00 66.02 62.96 2kkl s SER 95 CO 0.18 -3.66 1.84 -0.09 1.20 0.00 0.00 173.24 172.71 2kkl h ARG 96 N -2.26 0.80 -2.21 5.44 2.43 -1.91 -3.24 114.38 113.43 2kkl h ARG 96 Ca -0.51 -0.06 -0.58 0.00 -0.81 0.00 0.00 59.98 58.02 2kkl h ARG 96 Cb 1.32 -0.18 -0.42 0.00 -0.42 0.00 0.00 29.97 30.28 2kkl h ARG 96 CO 0.47 0.55 -0.71 0.54 -1.51 0.00 0.00 179.97 179.32 2kkl n ARG 97 N -4.65 2.62 0.07 0.20 1.74 -1.26 -3.67 116.66 111.71 2kkl n ARG 97 Ca 0.04 -4.55 -0.16 0.00 -0.77 0.00 0.00 57.85 52.41 2kkl n ARG 97 Cb 0.03 -2.13 -0.14 0.00 -1.02 0.00 0.00 32.46 29.21 2kkl n ARG 97 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kkl h HIS 98 N 3.46 0.42 -2.94 -1.55 2.76 -1.68 -3.39 115.15 112.23 2kkl h HIS 98 Ca 0.15 -0.31 -0.11 0.00 -2.20 0.00 0.00 60.37 57.90 2kkl h HIS 98 Cb 0.63 -0.02 -0.20 0.00 1.55 0.00 0.00 27.41 29.37 2kkl h HIS 98 CO 0.73 1.33 -0.24 0.00 -1.30 0.00 0.00 177.93 178.45 2kkl s ALA 99 N -2.63 -0.87 -0.03 5.26 0.00 -1.26 -2.19 121.76 120.04 2kkl s ALA 99 Ca -0.07 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2kkl s ALA 99 Cb 0.07 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2kkl s ALA 99 CO 0.86 -0.27 0.07 -2.00 0.00 0.00 0.00 175.76 174.42 2kkl s GLU 100 N -1.26 0.04 -0.01 0.00 2.12 -1.00 -0.88 118.70 117.71 2kkl s GLU 100 Ca -0.13 0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.36 2kkl s GLU 100 Cb -0.05 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 2kkl s GLU 100 CO 0.05 -0.10 0.16 -0.06 -0.54 0.00 0.00 175.26 174.76 2kkl s PHE 101 N 0.66 3.49 -0.04 5.30 0.08 -0.06 -1.89 117.98 125.52 2kkl s PHE 101 Ca -0.05 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.35 2kkl s PHE 101 Cb -0.07 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2kkl s PHE 101 CO -0.02 0.63 -0.09 0.50 -0.10 0.00 0.00 175.22 176.14 2kkl s ARG 102 N -1.87 1.17 -0.10 0.44 3.52 -0.85 -2.26 118.95 119.01 2kkl s ARG 102 Ca 0.26 -0.29 -0.19 0.00 -0.13 0.00 0.00 55.73 55.38 2kkl s ARG 102 Cb -0.12 -1.05 -0.04 0.00 -1.56 0.00 0.00 34.95 32.17 2kkl s ARG 102 CO 0.17 0.03 0.52 -1.17 -0.81 0.00 0.00 175.30 174.05 2kkl s LEU 103 N 0.55 4.30 -0.00 -0.88 2.96 -0.62 -0.83 118.68 124.15 2kkl s LEU 103 Ca -0.09 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.76 2kkl s LEU 103 Cb -0.13 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.78 2kkl s LEU 103 CO 0.01 -0.01 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.23 2kkl s GLU 104 N 0.56 0.84 0.66 1.98 2.56 -0.92 -4.98 118.70 119.40 2kkl s GLU 104 Ca 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.84 2kkl s GLU 104 Cb -0.16 -0.81 0.00 0.00 2.00 0.00 0.00 34.13 35.16 2kkl s GLU 104 CO 0.12 0.22 0.00 0.09 -0.56 0.00 0.00 175.26 175.13 2kkl n ASN 105 N 2.70 0.00 -0.53 -1.70 3.02 -1.26 -0.77 115.26 116.71 2kkl n ASN 105 Ca -0.14 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2kkl n ASN 105 Cb 0.56 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2kkl n ASN 105 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2kkl n ASN 106 N 1.48 -0.03 -4.00 6.41 2.85 -1.26 -5.11 115.26 115.59 2kkl n ASN 106 Ca 0.00 -1.26 -0.18 0.00 -0.11 0.00 0.00 54.58 53.04 2kkl n ASN 106 Cb 0.00 -0.03 -0.15 0.00 1.24 0.00 0.00 39.78 40.84 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2kkl s GLU 107 N 0.00 0.63 0.40 1.20 0.41 0.05 -5.00 118.70 116.39 2kkl s GLU 107 Ca 0.00 -0.28 -0.23 0.00 -0.41 0.00 0.00 54.97 54.05 2kkl s GLU 107 Cb 0.00 -0.61 -0.10 0.00 -1.78 0.00 0.00 34.13 31.65 2kkl s GLU 107 CO -0.00 0.17 1.00 -0.06 -0.49 0.00 0.00 175.26 175.88 2kkl s PHE 108 N -0.18 3.33 0.24 1.61 0.08 -1.26 -2.17 117.98 119.63 2kkl s PHE 108 Ca 0.03 1.66 0.09 0.00 0.12 0.00 0.00 56.93 58.82 2kkl s PHE 108 Cb -0.03 -3.01 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 2kkl s PHE 108 CO -0.00 -0.35 -0.14 -0.80 -0.10 0.00 0.00 175.22 173.82 2kkl s ASN 109 N -1.78 2.85 -0.05 1.36 0.01 -0.01 -0.56 114.94 116.77 2kkl s ASN 109 Ca 0.58 -1.05 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 2kkl s ASN 109 Cb -0.17 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.31 2kkl s ASN 109 CO 0.22 -0.15 -0.15 0.54 -1.51 0.00 0.00 177.10 176.05 2kkl s VAL 110 N -2.87 1.29 -0.04 1.60 0.11 -0.79 -2.01 120.40 117.69 2kkl s VAL 110 Ca 0.25 -0.62 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2kkl s VAL 110 Cb -0.01 -1.12 -0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2kkl s VAL 110 CO 0.10 0.38 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.40 2kkl s VAL 111 N 0.20 1.29 -0.43 2.04 1.01 -0.79 -2.61 120.40 121.11 2kkl s VAL 111 Ca -0.06 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 2kkl s VAL 111 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2kkl s VAL 111 CO 0.02 0.38 0.95 -0.62 0.00 0.00 0.00 175.10 175.84 2kkl s ASP 112 N 0.06 6.59 -0.44 3.32 2.15 -1.23 -2.37 116.67 124.75 2kkl s ASP 112 Ca -0.03 0.35 -0.19 0.00 0.43 0.00 0.00 52.55 53.10 2kkl s ASP 112 Cb -0.11 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2kkl s ASP 112 CO 0.02 -1.00 0.55 -0.69 -0.17 0.00 0.00 175.17 173.88 2kkl s VAL 113 N 3.74 4.94 -3.97 1.11 1.01 -0.93 -4.94 120.40 121.36 2kkl s VAL 113 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2kkl s VAL 113 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2kkl s VAL 113 CO 0.24 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.40 2kkl n GLY 114 N 5.08 -2.32 3.74 4.51 0.00 -1.26 -4.02 105.19 110.93 2kkl n GLY 114 Ca -0.05 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 2kkl n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkl s SER 115 N -0.84 6.91 0.19 1.61 0.15 -1.26 -4.82 113.70 115.64 2kkl s SER 115 Ca 0.00 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.07 2kkl s SER 115 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2kkl s SER 115 CO 0.00 -0.50 0.00 0.18 1.20 0.00 0.00 173.24 174.12 2kkl n LEU 116 N 2.30 0.00 -4.78 3.45 7.99 -1.26 -4.61 117.00 120.09 2kkl n LEU 116 Ca 0.05 0.03 -0.36 0.00 -0.01 0.00 0.00 56.01 55.72 2kkl n LEU 116 Cb 0.43 -0.11 -0.02 0.00 -0.11 0.00 0.00 43.42 43.61 2kkl n LEU 116 CO 0.58 -0.32 0.78 0.21 -1.51 0.00 0.00 177.39 177.12 2kkl s ASN 117 N -3.85 6.24 0.00 -1.43 3.84 -1.26 -4.93 114.94 113.55 2kkl s ASN 117 Ca 0.00 2.15 0.00 0.00 0.21 0.00 0.00 52.86 55.22 2kkl s ASN 117 Cb 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2kkl s ASN 117 CO 0.00 -0.86 0.00 0.61 -2.79 0.00 0.00 177.10 174.06 2kkl n GLY 118 N 0.23 -0.92 3.77 1.21 0.00 -1.26 -5.10 105.19 103.12 2kkl n GLY 118 Ca 0.08 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.74 2.24 0.11 2.61 2.01 -1.26 -4.97 115.64 115.65 2kkl s THR 119 Ca 0.00 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.27 2kkl s THR 119 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2kkl s THR 119 CO 0.00 0.06 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.17 2kkl s TYR 120 N -1.03 1.11 -0.12 4.92 -0.85 -1.26 -4.08 117.35 116.04 2kkl s TYR 120 Ca 0.52 -0.73 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 2kkl s TYR 120 Cb -0.45 -0.59 0.00 0.00 0.38 0.00 0.00 41.96 41.30 2kkl s TYR 120 CO 0.59 0.01 -0.21 0.54 -1.52 0.00 0.00 175.55 174.96 2kkl s VAL 121 N -2.92 2.24 -1.47 -3.49 0.11 -1.18 -4.19 120.40 109.50 2kkl s VAL 121 Ca 0.10 -0.94 -0.11 0.00 -2.93 0.00 0.00 61.98 58.10 2kkl s VAL 121 Cb 0.00 -1.88 0.06 0.00 -1.53 0.00 0.00 36.38 33.03 2kkl s VAL 121 CO -0.01 0.55 0.85 0.59 -3.33 0.00 0.00 175.10 173.75 2kkl n ASN 122 N 3.70 -5.06 -3.08 3.54 3.02 -1.25 -1.62 115.26 114.51 2kkl n ASN 122 Ca -0.19 -0.58 -0.16 0.00 -0.03 0.00 0.00 54.58 53.61 2kkl n ASN 122 Cb 0.52 -4.06 0.07 0.00 -0.61 0.00 0.00 39.78 35.70 2kkl n ASN 122 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kkl n ARG 123 N -4.43 -5.99 -3.33 3.52 0.63 -1.26 -5.00 116.66 100.81 2kkl n ARG 123 Ca 0.00 0.71 -0.16 0.00 -0.92 0.00 0.00 57.85 57.48 2kkl n ARG 123 Cb 0.55 -5.35 -0.07 0.00 0.45 0.00 0.00 32.46 28.04 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kkl s GLU 124 N -5.47 0.69 0.20 -0.14 2.02 -0.64 -5.13 118.70 110.23 2kkl s GLU 124 Ca 0.17 -0.95 -0.33 0.00 0.02 0.00 0.00 54.97 53.88 2kkl s GLU 124 Cb -0.07 -0.71 -0.14 0.00 0.10 0.00 0.00 34.13 33.32 2kkl s GLU 124 CO 0.62 -1.22 1.49 -2.30 0.02 0.00 0.00 175.26 173.87 2kkl n PRO 125 N 4.07 2.09 -3.71 0.39 -0.02 -1.26 -3.11 135.00 133.45 2kkl n PRO 125 Ca 0.13 0.75 -0.12 0.00 -2.02 0.00 0.00 63.50 62.24 2kkl n PRO 125 Cb 0.46 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.42 0.08 0.19 -1.45 -7.23 -1.26 -4.97 120.40 106.18 2kkl s VAL 126 Ca 0.73 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 60.19 2kkl s VAL 126 Cb -0.67 -1.01 0.11 0.00 0.56 0.00 0.00 36.38 35.37 2kkl s VAL 126 CO 0.44 -0.34 1.72 -0.78 -0.31 0.00 0.00 175.10 175.82 2kkl h ASP 127 N 2.96 1.03 -4.89 4.85 1.82 -1.94 -3.44 116.42 116.80 2kkl h ASP 127 Ca -0.32 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.09 2kkl h ASP 127 Cb 1.21 -0.27 -0.15 0.00 0.68 0.00 0.00 39.33 40.80 2kkl h ASP 127 CO 0.46 0.98 0.26 -0.55 -1.61 0.00 0.00 179.24 178.78 2kkl s SER 128 N -6.37 -0.56 0.07 2.28 0.15 -1.26 -3.57 113.70 104.44 2kkl s SER 128 Ca -0.12 0.27 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 2kkl s SER 128 Cb 0.14 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 65.02 2kkl s SER 128 CO 0.84 -0.76 0.41 0.00 1.20 0.00 0.00 173.24 174.92 2kkl s ALA 129 N -2.64 -0.99 -0.08 5.45 0.00 -1.07 -5.01 121.76 117.41 2kkl s ALA 129 Ca -0.03 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 2kkl s ALA 129 Cb -0.01 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2kkl s ALA 129 CO -0.04 -0.52 0.61 0.08 0.00 0.00 0.00 175.76 175.90 2kkl s VAL 130 N -2.91 5.09 0.44 0.00 1.01 -1.26 -1.89 120.40 120.88 2kkl s VAL 130 Ca -0.03 1.26 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 2kkl s VAL 130 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2kkl s VAL 130 CO -0.06 0.29 0.99 -0.76 0.00 0.00 0.00 175.10 175.57 2kkl s LEU 131 N 0.70 3.95 0.16 3.92 1.43 0.28 -4.95 118.68 124.16 2kkl s LEU 131 Ca 0.33 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 2kkl s LEU 131 Cb -0.17 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2kkl s LEU 131 CO 0.15 -0.52 0.35 0.00 0.23 0.00 0.00 176.35 176.56 2kkl s ALA 132 N -2.01 -0.39 0.32 4.21 0.00 -1.26 -4.55 121.76 118.08 2kkl s ALA 132 Ca 0.63 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 2kkl s ALA 132 Cb -0.14 0.79 -0.12 0.00 0.00 0.00 0.00 23.12 23.65 2kkl s ALA 132 CO 0.18 -0.67 1.37 0.09 0.00 0.00 0.00 175.76 176.73 2kkl n ASN 133 N -0.23 3.03 0.00 0.00 4.13 -1.26 -1.63 115.26 119.30 2kkl n ASN 133 Ca -0.10 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.35 2kkl n ASN 133 Cb 0.63 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.36 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kkl n GLY 134 N 1.13 0.47 3.80 7.41 0.00 -1.20 -5.01 105.19 111.79 2kkl n GLY 134 Ca 0.06 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.35 7.15 -0.16 1.61 1.11 -0.64 -4.95 116.67 118.43 2kkl s ASP 135 Ca 0.00 1.60 -0.02 0.00 0.18 0.00 0.00 52.55 54.31 2kkl s ASP 135 Cb 0.00 -2.49 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 2kkl s ASP 135 CO 0.00 -0.05 -0.09 -0.70 1.18 0.00 0.00 175.17 175.51 2kkl s GLU 136 N -2.15 3.41 -0.07 8.23 -6.30 -1.26 -0.63 118.70 119.93 2kkl s GLU 136 Ca 0.48 -0.65 0.04 0.00 -2.50 0.00 0.00 54.97 52.34 2kkl s GLU 136 Cb -0.17 -2.79 -0.00 0.00 0.00 0.00 0.00 34.13 31.18 2kkl s GLU 136 CO 0.21 0.08 -0.20 0.08 0.02 0.00 0.00 175.26 175.45 2kkl s VAL 137 N 0.73 1.70 -0.12 3.70 1.01 0.32 -3.77 120.40 123.97 2kkl s VAL 137 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2kkl s VAL 137 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2kkl s VAL 137 CO 0.02 0.48 -0.22 -1.58 0.00 0.00 0.00 175.10 173.80 2kkl s GLN 138 N 0.23 3.07 -0.11 2.72 -0.44 -1.26 -0.35 119.66 123.51 2kkl s GLN 138 Ca -0.11 -0.85 0.03 0.00 -2.50 0.00 0.00 55.36 51.93 2kkl s GLN 138 Cb -0.15 -2.39 0.01 0.00 -1.64 0.00 0.00 33.01 28.84 2kkl s GLN 138 CO 0.05 0.10 -0.21 0.42 0.50 0.00 0.00 175.29 176.15 2kkl s ILE 139 N 0.55 1.89 0.00 -2.34 1.01 -0.66 -4.51 121.20 117.15 2kkl s ILE 139 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.62 2kkl s ILE 139 Cb -0.17 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.64 2kkl s ILE 139 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2kkl n GLY 140 N 3.85 0.88 0.01 6.18 0.00 -1.26 -1.49 105.19 113.37 2kkl n GLY 140 Ca -0.20 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.74 -2.59 1.61 4.81 -1.26 -4.97 118.16 117.51 2kkl n LYS 141 Ca 0.00 -0.02 -0.38 0.00 -0.87 0.00 0.00 58.31 57.04 2kkl n LYS 141 Cb 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.16 3.55 -0.10 5.64 0.40 -0.56 -5.04 117.98 119.70 2kkl s PHE 142 Ca -0.01 1.73 -0.02 0.00 -0.60 0.00 0.00 56.93 58.02 2kkl s PHE 142 Cb 0.02 -3.13 -0.03 0.00 0.51 0.00 0.00 43.02 40.39 2kkl s PHE 142 CO 0.14 -0.31 -0.02 1.03 0.70 0.00 0.00 175.22 176.76 2kkl s ARG 143 N -1.87 3.16 0.07 0.44 0.52 -1.26 -1.65 118.95 118.35 2kkl s ARG 143 Ca 0.49 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2kkl s ARG 143 Cb -0.26 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 2kkl s ARG 143 CO 0.32 0.56 -0.06 -0.51 0.02 0.00 0.00 175.30 175.63 2kkl s LEU 144 N -0.51 2.39 -0.09 2.53 1.02 0.52 -1.76 118.68 122.79 2kkl s LEU 144 Ca 0.08 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.48 2kkl s LEU 144 Cb -0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 46.19 46.02 2kkl s LEU 144 CO 0.02 -0.37 -0.24 0.54 0.02 0.00 0.00 176.35 176.33 2kkl s VAL 145 N -2.65 2.09 -0.26 -1.59 0.11 -0.68 -0.52 120.40 116.90 2kkl s VAL 145 Ca 0.01 -1.02 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 2kkl s VAL 145 Cb -0.01 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.02 2kkl s VAL 145 CO -0.03 0.56 0.41 0.12 -3.33 0.00 0.00 175.10 172.83 2kkl s PHE 146 N 0.23 3.26 0.05 1.54 2.19 0.20 -2.60 117.98 122.86 2kkl s PHE 146 Ca -0.15 0.48 0.03 0.00 0.33 0.00 0.00 56.93 57.62 2kkl s PHE 146 Cb -0.17 -2.60 -0.03 0.00 -1.31 0.00 0.00 43.02 38.91 2kkl s PHE 146 CO 0.08 -0.22 -0.10 -0.51 1.83 0.00 0.00 175.22 176.30 2kkl s LEU 147 N 2.05 2.27 0.18 6.12 1.43 -1.12 -2.51 118.68 127.10 2kkl s LEU 147 Ca 0.17 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2kkl s LEU 147 Cb -0.16 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 2kkl s LEU 147 CO 0.09 -0.17 -0.13 0.42 0.23 0.00 0.00 176.35 176.79 2kkl s THR 148 N -1.44 1.53 -1.08 5.49 -4.23 -1.26 -2.16 115.64 112.49 2kkl s THR 148 Ca -0.06 -2.15 -0.20 0.00 -1.18 0.00 0.00 61.69 58.09 2kkl s THR 148 Cb -0.09 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.86 2kkl s THR 148 CO 0.01 -0.65 1.44 -0.83 -0.54 0.00 0.00 174.62 174.05 2kkl s GLY 149 N -3.25 1.59 0.83 3.99 0.00 -1.26 -4.96 107.32 104.25 2kkl s GLY 149 Ca 0.20 -2.61 -0.08 0.00 0.00 0.00 0.00 44.72 42.23 2kkl s GLY 149 CO 0.05 2.50 1.15 -1.58 0.00 0.00 0.00 173.10 175.21 2kkl s HIS 150 N 4.03 1.70 0.74 1.90 5.04 -1.26 -4.75 115.29 122.69 2kkl s HIS 150 Ca 0.45 0.05 -0.12 0.00 -1.54 0.00 0.00 55.06 53.90 2kkl s HIS 150 Cb -0.00 -3.52 0.04 0.00 0.04 0.00 0.00 32.58 29.14 2kkl s HIS 150 CO -0.05 -2.11 1.11 0.15 -2.34 0.00 0.00 174.74 171.49 2kkl s LYS 151 N -5.49 2.37 0.46 2.88 1.02 -1.26 -4.82 119.74 114.90 2kkl s LYS 151 Ca 0.69 1.30 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2kkl s LYS 151 Cb -0.05 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2kkl s LYS 151 CO 0.48 -1.57 0.00 1.04 -0.92 0.00 0.00 175.35 174.38 2kkl n GLN 152 N -3.13 -2.65 0.00 1.68 6.02 -1.26 -5.07 117.38 112.97 2kkl n GLN 152 Ca 0.10 2.09 0.00 0.00 -0.01 0.00 0.00 57.00 59.18 2kkl n GLN 152 Cb 0.52 -3.23 0.00 0.00 1.02 0.00 0.00 30.24 28.56 2kkl n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kkl n GLY 153 N -4.01 3.64 7.00 1.08 0.00 -1.26 -5.10 105.19 106.54 2kkl n GLY 153 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -1.21 1.61 -0.58 -1.26 -4.92 120.64 114.28 2kkl n GLU 154 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2kkl n GLU 154 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2kkl n GLU 154 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kkl n ASP 155 N 3.97 -6.30 -4.71 1.62 8.00 -1.26 -4.71 116.55 113.16 2kkl n ASP 155 Ca 0.00 0.85 -0.38 0.00 0.71 0.00 0.00 54.79 55.97 2kkl n ASP 155 Cb 0.00 -3.95 -0.06 0.00 -0.02 0.00 0.00 41.12 37.09 2kkl n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kkl s LEU 156 N -6.27 4.27 0.00 0.64 2.01 -1.26 -4.86 118.68 113.20 2kkl s LEU 156 Ca 0.00 0.87 0.00 0.00 0.01 0.00 0.00 54.13 55.01 2kkl s LEU 156 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 46.19 43.43 2kkl s LEU 156 CO 0.00 -0.05 0.00 -0.62 1.01 0.00 0.00 176.35 176.69 2kkl n GLU 157 N 3.84 0.00 -3.85 1.70 1.02 -1.26 -5.15 120.64 116.94 2kkl n GLU 157 Ca -0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 2kkl n GLU 157 Cb 0.51 -0.02 -0.05 0.00 -0.02 0.00 0.00 31.44 31.87 2kkl n GLU 157 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kkl s HIS 158 N -1.96 0.12 -0.20 -0.32 -3.43 -1.26 -5.10 115.29 103.14 2kkl s HIS 158 Ca 0.00 -0.47 -0.28 0.00 -0.80 0.00 0.00 55.06 53.50 2kkl s HIS 158 Cb 0.00 0.22 -0.05 0.00 -1.43 0.00 0.00 32.58 31.32 2kkl s HIS 158 CO 0.00 -0.87 2.15 -1.58 -2.00 0.00 0.00 174.74 172.45 2kkl s HIS 159 N -3.92 1.24 0.02 0.38 5.65 -1.26 -4.94 115.29 112.45 2kkl s HIS 159 Ca 0.14 0.45 -0.24 0.00 0.25 0.00 0.00 55.06 55.66 2kkl s HIS 159 Cb 0.00 -3.97 -0.05 0.00 -1.18 0.00 0.00 32.58 27.38 2kkl s HIS 159 CO -0.00 -4.13 0.71 -1.58 -0.65 0.00 0.00 174.74 169.09 2kkl s HIS 160 N 7.79 3.70 -0.23 3.88 2.46 -1.26 -5.02 115.29 126.62 2kkl s HIS 160 Ca 0.97 1.37 -0.29 0.00 0.47 0.00 0.00 55.06 57.59 2kkl s HIS 160 Cb -0.33 -2.76 0.00 0.00 -0.13 0.00 0.00 32.58 29.36 2kkl s HIS 160 CO 0.35 0.27 1.11 -1.01 -2.47 0.00 0.00 174.74 172.99 2kkl s HIS 161 N 0.03 3.17 0.60 3.88 3.76 -1.26 -5.02 115.29 120.45 2kkl s HIS 161 Ca 0.36 1.30 -0.06 0.00 -0.15 0.00 0.00 55.06 56.51 2kkl s HIS 161 Cb -0.20 -3.39 0.01 0.00 1.11 0.00 0.00 32.58 30.11 2kkl s HIS 161 CO 0.21 -0.86 0.92 -1.58 -0.85 0.00 0.00 174.74 172.58 2kkl s HIS 162 N 3.36 3.26 0.00 1.40 2.46 -1.26 -5.30 115.29 119.21 2kkl s HIS 162 Ca 0.47 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.69 2kkl s HIS 162 Cb -0.16 -2.78 0.00 0.00 -0.13 0.00 0.00 32.58 29.51 2kkl s HIS 162 CO 0.10 -0.87 0.00 1.58 -2.47 0.00 0.00 174.74 173.08