#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 0.00 3.52 -1.74 -1.26 -5.05 117.46 112.94 2kkl n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2kkl n PHE 25 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2kkl n PHE 25 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2kkl n ARG 26 N 0.00 0.00 0.00 3.97 1.74 -1.26 -4.80 116.66 116.32 2kkl n ARG 26 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kkl n ARG 26 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kkl n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kkl n ALA 27 N 0.47 -0.56 -3.05 7.54 0.00 -1.26 -4.92 120.51 118.72 2kkl n ALA 27 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2kkl n ALA 27 Cb 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.94 -5.76 0.00 0.00 2.03 -1.26 -4.94 116.55 105.68 2kkl n ASP 28 Ca 0.00 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.01 2kkl n ASP 28 Cb 0.00 -4.54 0.00 0.00 -0.72 0.00 0.00 41.12 35.86 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 -4.47 0.00 -0.24 -0.67 -1.74 -1.26 -5.02 117.46 104.06 2kkl n PHE 29 Ca -0.08 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.75 2kkl n PHE 29 Cb 0.60 0.00 0.05 0.00 1.52 0.00 0.00 39.48 41.64 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2kkl h LEU 30 N 0.00 0.87 -1.20 5.98 4.07 -1.96 -3.45 115.31 119.61 2kkl h LEU 30 Ca 0.00 -0.12 -0.57 0.00 0.08 0.00 0.00 57.88 57.27 2kkl h LEU 30 Cb 0.00 -0.22 -0.23 0.00 1.08 0.00 0.00 40.66 41.28 2kkl h LEU 30 CO 0.00 0.74 -0.86 -1.54 -1.08 0.00 0.00 178.44 175.71 2kkl n SER 31 N -4.48 -2.71 0.27 -0.43 3.41 -1.26 -4.75 113.62 103.66 2kkl n SER 31 Ca 0.05 -1.06 0.13 0.00 -0.26 0.00 0.00 58.87 57.73 2kkl n SER 31 Cb 0.12 -2.52 0.75 0.00 -0.26 0.00 0.00 64.21 62.30 2kkl n SER 31 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kkl h GLU 32 N -1.41 0.00 -0.68 4.33 4.57 -1.98 -2.22 114.58 117.19 2kkl h GLU 32 Ca -0.60 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.55 2kkl h GLU 32 Cb 1.38 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 2kkl h GLU 32 CO 0.79 0.10 0.29 1.25 -1.18 0.00 0.00 179.01 180.26 2kkl h LEU 33 N 0.00 0.93 -8.86 1.64 5.85 -2.00 -3.39 115.31 109.47 2kkl h LEU 33 Ca -0.00 -0.16 -0.59 0.00 0.84 0.00 0.00 57.88 57.97 2kkl h LEU 33 Cb 0.31 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.02 2kkl h LEU 33 CO 0.01 0.83 0.65 -0.62 -0.34 0.00 0.00 178.44 178.98 2kkl s ASP 34 N -6.18 6.73 -0.50 1.25 2.15 -0.83 -4.93 116.67 114.37 2kkl s ASP 34 Ca -0.13 0.69 0.06 0.00 0.43 0.00 0.00 52.55 53.61 2kkl s ASP 34 Cb 0.14 -2.48 0.19 0.00 -0.30 0.00 0.00 42.92 40.47 2kkl s ASP 34 CO 0.81 -0.86 0.68 0.00 -0.17 0.00 0.00 175.17 175.63 2kkl n ALA 35 N 6.79 -0.95 -1.70 3.66 0.00 -1.26 -5.00 120.51 122.05 2kkl n ALA 35 Ca 0.08 -1.47 -0.38 0.00 0.00 0.00 0.00 53.44 51.67 2kkl n ALA 35 Cb 0.48 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.64 2kkl n ALA 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kkl n PRO 36 N 2.74 1.37 -1.69 0.00 -0.02 -1.26 -4.94 135.00 131.20 2kkl n PRO 36 Ca 0.19 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 2kkl n PRO 36 Cb 0.55 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.67 2kkl n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkl n ALA 37 N -1.33 1.00 -1.74 3.55 0.00 -1.26 -4.92 120.51 115.80 2kkl n ALA 37 Ca 0.12 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 2kkl n ALA 37 Cb 0.45 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.66 2kkl n ALA 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2kkl s GLN 38 N -3.35 2.91 1.12 0.00 2.00 -1.26 -4.96 119.66 116.12 2kkl s GLN 38 Ca 0.82 2.17 -0.16 0.00 -2.00 0.00 0.00 55.36 56.19 2kkl s GLN 38 Cb -0.38 -2.09 0.20 0.00 0.80 0.00 0.00 33.01 31.54 2kkl s GLN 38 CO 0.41 -1.35 0.38 0.00 -0.50 0.00 0.00 175.29 174.23 2kkl n ALA 39 N -1.38 -2.25 -3.28 1.58 0.00 -1.26 -5.04 120.51 108.89 2kkl n ALA 39 Ca 0.13 -1.26 0.05 0.00 0.00 0.00 0.00 53.44 52.35 2kkl n ALA 39 Cb 0.46 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 2.23 0.60 1.70 0.00 0.00 -1.26 -5.16 105.19 103.31 2kkl n GLY 40 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.25 -5.62 -2.08 2.61 -2.24 -1.26 -4.81 114.28 100.63 2kkl n THR 41 Ca 0.01 2.57 -0.41 0.00 -2.27 0.00 0.00 64.05 63.95 2kkl n THR 41 Cb 0.16 -3.52 -0.02 0.00 -2.10 0.00 0.00 70.33 64.85 2kkl n THR 41 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kkl s GLU 42 N -3.54 4.32 0.46 -0.78 2.12 -1.26 -4.98 118.70 115.05 2kkl s GLU 42 Ca 0.00 2.24 -0.22 0.00 0.36 0.00 0.00 54.97 57.35 2kkl s GLU 42 Cb 0.00 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.23 2kkl s GLU 42 CO 0.00 -0.27 1.09 -1.12 -0.54 0.00 0.00 175.26 174.42 2kkl s SER 43 N -0.19 6.34 -0.16 -1.70 0.01 -1.26 -4.95 113.70 111.79 2kkl s SER 43 Ca 0.52 2.10 0.07 0.00 1.31 0.00 0.00 55.95 59.94 2kkl s SER 43 Cb -0.40 -2.58 0.20 0.00 0.21 0.00 0.00 66.02 63.45 2kkl s SER 43 CO 0.50 -0.79 1.26 0.00 0.41 0.00 0.00 173.24 174.62 2kkl n ALA 44 N -0.61 3.34 -2.93 1.44 0.00 -1.26 -5.11 120.51 115.38 2kkl n ALA 44 Ca 0.08 -0.87 -0.34 0.00 0.00 0.00 0.00 53.44 52.31 2kkl n ALA 44 Cb 0.50 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 19.26 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 0.03 3.81 0.84 0.00 1.01 -1.26 -5.11 120.40 119.72 2kkl s VAL 45 Ca 0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2kkl s VAL 45 Cb 0.22 -2.66 0.10 0.00 0.00 0.00 0.00 36.38 34.04 2kkl s VAL 45 CO -0.06 0.51 1.12 -0.94 0.00 0.00 0.00 175.10 175.72 2kkl s SER 46 N 0.25 4.12 0.00 3.32 1.04 -1.26 -4.89 113.70 116.28 2kkl s SER 46 Ca -0.03 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2kkl s SER 46 Cb -0.14 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2kkl s SER 46 CO 0.03 -2.18 0.00 0.61 0.98 0.00 0.00 173.24 172.68 2kkl n GLY 47 N -2.21 -1.81 3.73 7.32 0.00 -1.26 -4.86 105.19 106.10 2kkl n GLY 47 Ca 0.07 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2kkl n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kkl s VAL 48 N 0.00 4.82 0.00 1.61 1.01 -1.26 -4.99 120.40 121.59 2kkl s VAL 48 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.74 2kkl s VAL 48 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2kkl s VAL 48 CO 0.00 0.27 0.00 -0.62 0.00 0.00 0.00 175.10 174.75 2kkl n GLU 49 N 3.37 0.00 -2.54 2.72 1.02 -1.26 -4.98 120.64 118.96 2kkl n GLU 49 Ca 0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 2kkl n GLU 49 Cb 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.88 2kkl n GLU 49 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kkl s GLY 50 N -0.45 2.28 -0.48 0.62 0.00 -1.26 -4.59 107.32 103.43 2kkl s GLY 50 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 44.72 45.15 2kkl s GLY 50 CO 0.00 0.66 0.74 1.47 0.00 0.00 0.00 173.10 175.96 2kkl n LEU 51 N -1.17 -2.50 -0.31 0.66 -0.00 -1.26 -5.02 117.00 107.41 2kkl n LEU 51 Ca 0.07 -3.45 0.07 0.00 -0.00 0.00 0.00 56.01 52.71 2kkl n LEU 51 Cb 0.54 0.76 0.22 0.00 -0.00 0.00 0.00 43.42 44.94 2kkl n LEU 51 CO 0.42 1.97 1.14 -0.65 -0.00 0.00 0.00 177.39 180.27 2kkl h PRO 52 N 4.50 0.70 0.00 1.47 0.11 -1.98 0.02 132.00 136.82 2kkl h PRO 52 Ca -0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2kkl h PRO 52 Cb 1.03 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2kkl h PRO 52 CO 0.24 0.46 0.04 -2.30 -0.21 0.00 0.00 178.00 176.23 2kkl n PRO 53 N -4.80 0.00 -1.89 1.05 -0.02 -1.26 -4.77 135.00 123.30 2kkl n PRO 53 Ca 0.17 0.17 -0.03 0.00 -2.02 0.00 0.00 63.50 61.80 2kkl n PRO 53 Cb 0.40 -1.54 0.01 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.11 0.19 4.00 -1.23 0.00 -0.01 -5.01 105.19 102.02 2kkl n GLY 54 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.27 3.35 0.07 0.99 1.43 -1.24 -4.85 118.68 115.16 2kkl s LEU 55 Ca 0.08 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2kkl s LEU 55 Cb -0.01 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2kkl s LEU 55 CO 0.17 -1.13 0.22 0.00 0.23 0.00 0.00 176.35 175.84 2kkl s ALA 56 N -2.65 -0.37 0.07 4.21 0.00 -1.26 -4.51 121.76 117.25 2kkl s ALA 56 Ca 0.58 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.20 2kkl s ALA 56 Cb -0.09 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 2kkl s ALA 56 CO 0.37 -0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 175.04 2kkl s LEU 57 N -2.50 2.28 -0.07 0.00 1.02 -1.00 -2.31 118.68 116.09 2kkl s LEU 57 Ca 0.00 -0.61 0.04 0.00 0.02 0.00 0.00 54.13 53.58 2kkl s LEU 57 Cb 0.02 -0.43 -0.01 0.00 0.02 0.00 0.00 46.19 45.78 2kkl s LEU 57 CO -0.08 -0.11 -0.20 -0.76 0.02 0.00 0.00 176.35 175.22 2kkl s LEU 58 N -1.75 2.36 -0.07 1.79 1.43 -1.04 -2.40 118.68 119.00 2kkl s LEU 58 Ca -0.03 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2kkl s LEU 58 Cb -0.10 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 2kkl s LEU 58 CO 0.02 0.25 -0.22 -0.69 0.23 0.00 0.00 176.35 175.93 2kkl s VAL 59 N -0.15 1.89 0.12 -1.59 1.01 -1.06 -1.17 120.40 119.45 2kkl s VAL 59 Ca -0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2kkl s VAL 59 Cb -0.14 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 2kkl s VAL 59 CO 0.04 0.52 1.18 -0.69 0.00 0.00 0.00 175.10 176.15 2kkl s VAL 60 N 0.16 3.88 -0.57 2.92 1.01 -0.90 -1.83 120.40 125.06 2kkl s VAL 60 Ca -0.11 1.46 0.23 0.00 0.00 0.00 0.00 61.98 63.55 2kkl s VAL 60 Cb -0.15 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 2kkl s VAL 60 CO 0.06 0.17 1.05 0.29 0.00 0.00 0.00 175.10 176.67 2kkl n LYS 61 N 3.23 0.32 -3.62 2.72 5.02 -0.78 -3.28 118.16 121.76 2kkl n LYS 61 Ca 0.06 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 2kkl n LYS 61 Cb 0.46 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kkl s ARG 62 N -3.21 0.62 0.00 1.97 6.06 -1.26 -4.91 118.95 118.22 2kkl s ARG 62 Ca 0.03 0.61 0.00 0.00 -2.50 0.00 0.00 55.73 53.88 2kkl s ARG 62 Cb 0.14 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.45 2kkl s ARG 62 CO 0.79 -0.10 0.00 0.41 -2.50 0.00 0.00 175.30 173.90 2kkl n GLY 63 N 2.07 0.79 0.36 8.12 0.00 -1.26 -4.18 105.19 111.08 2kkl n GLY 63 Ca -0.13 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.43 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 0.92 -1.97 1.61 0.11 -2.03 -2.49 132.00 128.16 2kkl h PRO 64 Ca 0.00 -0.06 -0.70 0.00 0.11 0.00 0.00 66.00 65.35 2kkl h PRO 64 Cb 0.00 -0.21 -0.33 0.00 0.11 0.00 0.00 31.00 30.57 2kkl h PRO 64 CO 0.00 0.61 0.32 0.27 -0.21 0.00 0.00 178.00 178.99 2kkl n ASN 65 N -4.65 6.28 -4.72 -2.05 0.23 -1.26 -5.04 115.26 104.05 2kkl n ASN 65 Ca 0.19 -3.75 -0.40 0.00 -0.53 0.00 0.00 54.58 50.09 2kkl n ASN 65 Cb 0.37 -0.85 0.02 0.00 -2.08 0.00 0.00 39.78 37.25 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kkl n ALA 66 N -0.38 1.49 -0.49 -2.53 0.00 -0.94 -2.12 120.51 115.54 2kkl n ALA 66 Ca 0.45 0.23 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2kkl n ALA 66 Cb 0.38 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 0.76 0.75 3.78 0.00 0.00 -1.21 -5.03 105.19 104.25 2kkl n GLY 67 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.84 5.71 0.02 1.61 0.01 -0.90 -4.84 113.70 112.46 2kkl s SER 68 Ca 0.00 2.00 0.03 0.00 1.31 0.00 0.00 55.95 59.29 2kkl s SER 68 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2kkl s SER 68 CO 0.00 -1.22 -0.09 0.00 0.41 0.00 0.00 173.24 172.34 2kkl s ARG 69 N -3.66 0.65 -0.03 12.44 1.70 -1.26 -2.13 118.95 126.66 2kkl s ARG 69 Ca 0.68 -0.53 0.07 0.00 -0.47 0.00 0.00 55.73 55.48 2kkl s ARG 69 Cb -0.20 -0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 33.59 2kkl s ARG 69 CO 0.31 0.14 -0.24 -0.06 -1.08 0.00 0.00 175.30 174.38 2kkl s PHE 70 N -0.69 2.23 -0.23 5.89 0.08 -0.32 -4.96 117.98 119.99 2kkl s PHE 70 Ca -0.01 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.42 2kkl s PHE 70 Cb -0.06 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 2kkl s PHE 70 CO 0.00 -0.10 0.18 -1.17 -0.10 0.00 0.00 175.22 174.03 2kkl s LEU 71 N -0.41 4.13 -1.11 -0.37 2.96 -1.26 -2.50 118.68 120.12 2kkl s LEU 71 Ca 0.05 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 2kkl s LEU 71 Cb -0.11 -2.14 0.29 0.00 0.50 0.00 0.00 46.19 44.73 2kkl s LEU 71 CO 0.01 0.07 1.33 0.18 -1.32 0.00 0.00 176.35 176.61 2kkl n LEU 72 N 4.20 5.98 -1.70 -0.68 4.77 -0.98 -4.74 117.00 123.85 2kkl n LEU 72 Ca -0.15 -5.09 0.08 0.00 -0.03 0.00 0.00 56.01 50.82 2kkl n LEU 72 Cb 0.52 -1.39 0.37 0.00 -2.33 0.00 0.00 43.42 40.59 2kkl n LEU 72 CO 0.36 1.49 0.83 -0.67 -1.33 0.00 0.00 177.39 178.07 2kkl n ASP 73 N 2.17 5.09 -4.37 -1.43 -0.08 -1.26 -4.28 116.55 112.39 2kkl n ASP 73 Ca 0.26 -2.65 -0.30 0.00 -1.51 0.00 0.00 54.79 50.58 2kkl n ASP 73 Cb 0.36 -0.63 -0.14 0.00 2.34 0.00 0.00 41.12 43.05 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2kkl s GLN 74 N -2.25 1.85 0.17 -0.67 2.00 -1.26 -5.03 119.66 114.47 2kkl s GLN 74 Ca 0.51 -1.09 -0.12 0.00 -2.00 0.00 0.00 55.36 52.67 2kkl s GLN 74 Cb 0.36 -2.02 0.08 0.00 0.80 0.00 0.00 33.01 32.23 2kkl s GLN 74 CO 0.20 0.52 1.75 0.00 -0.50 0.00 0.00 175.29 177.25 2kkl h ALA 75 N 4.75 0.78 -3.30 1.58 0.00 -1.96 -3.42 119.26 117.69 2kkl h ALA 75 Ca -0.47 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 2kkl h ALA 75 Cb 1.14 -0.24 -0.34 0.00 0.00 0.00 0.00 17.79 18.36 2kkl h ALA 75 CO 0.44 0.36 -0.84 0.42 0.00 0.00 0.00 179.25 179.63 2kkl s ILE 76 N -5.64 1.55 -0.12 0.00 1.01 -1.26 -1.33 121.20 115.41 2kkl s ILE 76 Ca -0.13 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2kkl s ILE 76 Cb 0.13 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.22 2kkl s ILE 76 CO 0.79 0.45 -0.16 -0.89 0.00 0.00 0.00 174.94 175.13 2kkl s THR 77 N 0.83 1.57 0.24 2.92 2.01 -0.99 -4.98 115.64 117.24 2kkl s THR 77 Ca -0.10 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2kkl s THR 77 Cb -0.15 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2kkl s THR 77 CO 0.01 0.46 0.42 -0.44 -0.69 0.00 0.00 174.62 174.38 2kkl s SER 78 N 1.09 6.36 0.07 3.53 0.01 -1.26 -1.38 113.70 122.12 2kkl s SER 78 Ca -0.04 0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.64 2kkl s SER 78 Cb -0.14 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2kkl s SER 78 CO -0.04 -0.11 -0.08 0.00 0.41 0.00 0.00 173.24 173.43 2kkl s ALA 79 N -1.99 3.00 0.00 1.44 0.00 -0.97 -4.49 121.76 118.76 2kkl s ALA 79 Ca 0.38 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2kkl s ALA 79 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2kkl s ALA 79 CO 0.31 0.64 0.00 0.41 0.00 0.00 0.00 175.76 177.11 2kkl n GLY 80 N 1.01 3.02 3.81 0.00 0.00 -1.23 -3.12 105.19 108.68 2kkl n GLY 80 Ca -0.14 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 4.25 -0.14 1.61 0.52 -0.81 -4.65 118.95 119.72 2kkl s ARG 81 Ca 0.00 0.80 -0.15 0.00 -0.52 0.00 0.00 55.73 55.87 2kkl s ARG 81 Cb 0.00 -3.16 -0.24 0.00 0.52 0.00 0.00 34.95 32.06 2kkl s ARG 81 CO 0.00 0.58 0.38 0.45 0.02 0.00 0.00 175.30 176.73 2kkl h HIS 82 N 4.25 0.31 -3.23 -0.53 3.86 -1.87 -3.43 115.15 114.51 2kkl h HIS 82 Ca -0.49 -0.23 -0.56 0.00 -1.16 0.00 0.00 60.37 57.94 2kkl h HIS 82 Cb 1.21 -0.01 0.10 0.00 1.06 0.00 0.00 27.41 29.76 2kkl h HIS 82 CO 0.66 1.61 0.69 -2.30 0.86 0.00 0.00 177.93 179.45 2kkl n PRO 83 N -3.94 2.36 -4.19 2.45 -0.02 -1.26 -2.48 135.00 127.92 2kkl n PRO 83 Ca -0.30 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 2kkl n PRO 83 Cb 0.88 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 2kkl n PRO 83 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kkl n ASP 84 N 1.49 -0.88 -3.53 2.55 8.00 -1.26 -4.92 116.55 118.00 2kkl n ASP 84 Ca 0.07 -1.11 -0.04 0.00 0.71 0.00 0.00 54.79 54.42 2kkl n ASP 84 Cb 0.35 -2.43 -0.06 0.00 -0.02 0.00 0.00 41.12 38.97 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kkl s SER 85 N -3.98 -0.69 0.26 -2.24 0.01 -1.04 -4.78 113.70 101.24 2kkl s SER 85 Ca 0.28 1.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.57 2kkl s SER 85 Cb -0.16 1.79 0.31 0.00 0.21 0.00 0.00 66.02 68.17 2kkl s SER 85 CO 0.94 -0.24 1.82 0.44 0.41 0.00 0.00 173.24 176.61 2kkl h ASP 86 N 8.09 0.92 -3.28 2.44 3.32 -1.86 -3.41 116.42 122.63 2kkl h ASP 86 Ca -0.18 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.18 2kkl h ASP 86 Cb 1.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 2kkl h ASP 86 CO 0.16 0.84 0.51 -0.63 -1.72 0.00 0.00 179.24 178.40 2kkl s ILE 87 N -5.40 4.60 -0.49 0.35 -1.09 -1.26 -4.87 121.20 113.03 2kkl s ILE 87 Ca -0.11 1.87 0.03 0.00 -2.23 0.00 0.00 60.65 60.21 2kkl s ILE 87 Cb 0.16 -4.20 0.15 0.00 -1.58 0.00 0.00 42.46 36.99 2kkl s ILE 87 CO 0.82 0.09 0.31 0.12 -1.23 0.00 0.00 174.94 175.04 2kkl s PHE 88 N 1.46 2.10 -0.54 3.97 5.36 -1.26 -4.50 117.98 124.58 2kkl s PHE 88 Ca 0.53 -2.58 -0.10 0.00 -0.96 0.00 0.00 56.93 53.82 2kkl s PHE 88 Cb -0.22 -1.84 0.14 0.00 -0.34 0.00 0.00 43.02 40.75 2kkl s PHE 88 CO 0.25 -0.74 0.43 -0.51 -1.46 0.00 0.00 175.22 173.18 2kkl s LEU 89 N -0.06 5.87 -0.78 6.12 1.43 -1.26 -5.00 118.68 124.99 2kkl s LEU 89 Ca 0.22 -2.06 -0.19 0.00 -1.03 0.00 0.00 54.13 51.07 2kkl s LEU 89 Cb -0.15 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.14 2kkl s LEU 89 CO -0.07 -0.68 0.96 1.51 0.23 0.00 0.00 176.35 178.29 2kkl s ASP 90 N 2.60 6.43 0.10 2.29 -4.77 -1.26 -4.40 116.67 117.67 2kkl s ASP 90 Ca 0.08 -1.73 -0.18 0.00 -3.30 0.00 0.00 52.55 47.42 2kkl s ASP 90 Cb -0.25 -2.36 0.04 0.00 -1.09 0.00 0.00 42.92 39.26 2kkl s ASP 90 CO -0.01 -1.11 0.43 -0.62 0.70 0.00 0.00 175.17 174.56 2kkl s ASP 91 N 3.50 -0.29 0.29 2.11 2.15 -1.26 -5.03 116.67 118.13 2kkl s ASP 91 Ca 0.24 -0.16 0.06 0.00 0.43 0.00 0.00 52.55 53.12 2kkl s ASP 91 Cb -0.13 0.47 0.44 0.00 -0.30 0.00 0.00 42.92 43.41 2kkl s ASP 91 CO -0.01 -0.80 1.69 -0.37 -0.17 0.00 0.00 175.17 175.51 2kkl h VAL 92 N 2.54 1.31 0.00 1.11 -1.51 -2.00 -2.86 116.25 114.84 2kkl h VAL 92 Ca -0.33 -1.55 -0.06 0.00 -1.23 0.00 0.00 66.70 63.53 2kkl h VAL 92 Cb 1.24 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 2kkl h VAL 92 CO 0.45 0.46 -0.29 0.71 -1.23 0.00 0.00 177.57 177.67 2kkl h THR 93 N 0.20 1.20 -3.53 7.19 1.35 -1.98 -3.41 112.91 113.94 2kkl h THR 93 Ca 0.02 -1.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.26 2kkl h THR 93 Cb 0.83 1.54 -0.14 0.00 -1.73 0.00 0.00 68.15 68.65 2kkl h THR 93 CO 0.07 0.28 -0.49 -0.69 -0.25 0.00 0.00 175.52 174.44 2kkl s VAL 94 N -4.38 5.36 0.02 6.82 1.01 -1.08 -4.91 120.40 123.24 2kkl s VAL 94 Ca -0.03 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2kkl s VAL 94 Cb 0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2kkl s VAL 94 CO 0.71 0.36 0.02 -1.20 0.00 0.00 0.00 175.10 174.99 2kkl n SER 95 N 4.16 -0.06 -0.15 3.32 7.64 -1.26 -4.58 113.62 122.69 2kkl n SER 95 Ca -0.15 -0.98 -0.08 0.00 1.01 0.00 0.00 58.87 58.68 2kkl n SER 95 Cb 0.52 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kkl h ARG 96 N 0.00 0.60 0.00 1.43 3.08 -1.89 -3.37 114.38 114.23 2kkl h ARG 96 Ca -0.01 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.73 2kkl h ARG 96 Cb 0.02 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2kkl h ARG 96 CO 0.00 0.41 -1.91 0.54 -1.07 0.00 0.00 179.97 177.94 2kkl n ARG 97 N -4.76 0.36 0.00 0.04 1.74 -1.18 -1.92 116.66 110.93 2kkl n ARG 97 Ca 0.01 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2kkl n ARG 97 Cb 0.03 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2kkl n ARG 97 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kkl n HIS 98 N -3.57 0.00 -4.28 -1.55 -0.00 -1.26 -3.56 115.22 101.00 2kkl n HIS 98 Ca -0.31 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.22 2kkl n HIS 98 Cb 0.74 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.62 2kkl n HIS 98 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kkl s ALA 99 N -1.00 1.73 0.06 1.57 0.00 -1.26 -2.82 121.76 120.04 2kkl s ALA 99 Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.56 2kkl s ALA 99 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2kkl s ALA 99 CO 0.00 0.13 -0.07 -2.00 0.00 0.00 0.00 175.76 173.82 2kkl s GLU 100 N -2.90 0.65 0.03 0.00 2.12 -0.55 -2.29 118.70 115.77 2kkl s GLU 100 Ca 0.13 -1.00 0.08 0.00 0.36 0.00 0.00 54.97 54.55 2kkl s GLU 100 Cb -0.04 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 2kkl s GLU 100 CO 0.04 0.02 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.49 2kkl s PHE 101 N -2.34 2.40 0.03 5.30 0.08 -0.48 -1.72 117.98 121.26 2kkl s PHE 101 Ca -0.01 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.72 2kkl s PHE 101 Cb -0.03 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 2kkl s PHE 101 CO -0.02 0.14 -0.14 1.03 -0.10 0.00 0.00 175.22 176.13 2kkl s ARG 102 N -1.17 0.95 -0.23 0.44 0.52 -1.04 -2.36 118.95 116.08 2kkl s ARG 102 Ca 0.12 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.58 2kkl s ARG 102 Cb -0.10 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 2kkl s ARG 102 CO 0.02 0.24 0.08 -1.17 0.02 0.00 0.00 175.30 174.49 2kkl s LEU 103 N -0.92 3.65 0.00 2.53 2.96 -0.44 -0.94 118.68 125.52 2kkl s LEU 103 Ca 0.02 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2kkl s LEU 103 Cb -0.07 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2kkl s LEU 103 CO 0.01 0.05 0.00 -1.84 -1.32 0.00 0.00 176.35 173.24 2kkl n GLU 104 N 4.39 0.00 0.02 1.98 0.28 -1.15 -4.92 120.64 121.25 2kkl n GLU 104 Ca -0.16 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.71 2kkl n GLU 104 Cb 0.52 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.30 2kkl n GLU 104 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kkl h ASN 105 N 0.00 -0.03 0.00 -1.84 2.35 -2.03 -3.43 115.58 110.61 2kkl h ASN 105 Ca 0.00 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 2kkl h ASN 105 Cb 0.00 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2kkl h ASN 105 CO 0.00 0.23 -0.06 0.59 -1.65 0.00 0.00 177.43 176.54 2kkl n ASN 106 N -4.98 -0.21 -3.96 5.81 3.02 -1.26 -5.13 115.26 108.56 2kkl n ASN 106 Ca -0.08 -0.75 -0.18 0.00 -0.03 0.00 0.00 54.58 53.54 2kkl n ASN 106 Cb 0.15 0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.23 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kkl s GLU 107 N 0.00 0.65 0.39 3.52 2.02 -1.26 -4.92 118.70 119.11 2kkl s GLU 107 Ca 0.00 -0.20 -0.24 0.00 0.02 0.00 0.00 54.97 54.55 2kkl s GLU 107 Cb 0.00 -0.64 -0.09 0.00 0.10 0.00 0.00 34.13 33.49 2kkl s GLU 107 CO 0.00 0.08 1.01 -0.06 0.02 0.00 0.00 175.26 176.31 2kkl s PHE 108 N 0.18 3.34 0.20 1.61 0.08 -1.26 -2.93 117.98 119.19 2kkl s PHE 108 Ca -0.02 1.66 0.10 0.00 0.12 0.00 0.00 56.93 58.79 2kkl s PHE 108 Cb -0.07 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 2kkl s PHE 108 CO -0.00 -0.38 -0.19 -0.80 -0.10 0.00 0.00 175.22 173.75 2kkl s ASN 109 N -1.71 2.98 -0.10 1.36 0.01 -0.12 -0.35 114.94 117.01 2kkl s ASN 109 Ca 0.58 -0.92 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 2kkl s ASN 109 Cb -0.19 -0.20 -0.01 0.00 0.41 0.00 0.00 41.25 41.27 2kkl s ASN 109 CO 0.24 -0.01 -0.20 0.54 -1.51 0.00 0.00 177.10 176.16 2kkl s VAL 110 N -2.20 2.44 0.01 1.60 0.11 -0.70 -2.48 120.40 119.17 2kkl s VAL 110 Ca 0.20 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2kkl s VAL 110 Cb -0.05 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.83 2kkl s VAL 110 CO 0.09 0.55 -0.04 0.54 -3.33 0.00 0.00 175.10 172.91 2kkl s VAL 111 N 0.23 0.27 -0.37 2.04 0.11 -0.70 -2.50 120.40 119.48 2kkl s VAL 111 Ca -0.13 -0.40 -0.14 0.00 -2.93 0.00 0.00 61.98 58.38 2kkl s VAL 111 Cb -0.16 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2kkl s VAL 111 CO 0.07 -0.09 0.29 -0.62 -3.33 0.00 0.00 175.10 171.41 2kkl s ASP 112 N -0.52 6.10 0.46 3.54 2.15 -1.21 -1.48 116.67 125.71 2kkl s ASP 112 Ca -0.03 -0.62 -0.20 0.00 0.43 0.00 0.00 52.55 52.12 2kkl s ASP 112 Cb -0.04 -2.16 -0.10 0.00 -0.30 0.00 0.00 42.92 40.33 2kkl s ASP 112 CO -0.00 -0.35 0.99 0.68 -0.17 0.00 0.00 175.17 176.32 2kkl s VAL 113 N 1.75 4.12 0.00 1.11 -7.23 -1.13 -3.66 120.40 115.37 2kkl s VAL 113 Ca 0.06 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 2kkl s VAL 113 Cb -0.18 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2kkl s VAL 113 CO 0.11 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 2kkl n GLY 114 N -0.50 0.52 7.00 2.32 0.00 -1.26 -4.85 105.19 108.42 2kkl n GLY 114 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2kkl n GLY 114 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkl n SER 115 N 1.25 0.00 -1.60 1.61 2.88 -1.24 -4.95 113.62 111.57 2kkl n SER 115 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kkl n SER 115 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kkl n SER 115 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kkl n LEU 116 N 0.00 -1.66 -4.77 2.46 7.94 -1.26 -4.79 117.00 114.92 2kkl n LEU 116 Ca 0.00 2.83 -0.40 0.00 -1.11 0.00 0.00 56.01 57.33 2kkl n LEU 116 Cb 0.00 -3.21 -0.01 0.00 0.53 0.00 0.00 43.42 40.73 2kkl n LEU 116 CO 0.00 -0.83 0.96 0.20 -1.11 0.00 0.00 177.39 176.61 2kkl s ASN 117 N -5.44 6.47 0.00 1.96 0.01 -1.26 -4.83 114.94 111.86 2kkl s ASN 117 Ca 0.00 2.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.79 2kkl s ASN 117 Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2kkl s ASN 117 CO 0.00 -0.74 0.00 0.61 -1.51 0.00 0.00 177.10 175.46 2kkl n GLY 118 N 0.70 -1.59 3.75 0.66 0.00 -1.26 -5.12 105.19 102.34 2kkl n GLY 118 Ca 0.03 0.70 -0.41 0.00 0.00 0.00 0.00 46.02 46.33 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 0.39 2.45 0.04 2.61 2.01 -1.26 -4.88 115.64 117.01 2kkl s THR 119 Ca 0.00 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2kkl s THR 119 Cb 0.00 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2kkl s THR 119 CO 0.00 0.07 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.24 2kkl s TYR 120 N -0.33 0.46 -0.10 4.92 -0.85 -1.26 -4.60 117.35 115.58 2kkl s TYR 120 Ca 0.58 -0.68 0.04 0.00 -0.52 0.00 0.00 57.07 56.48 2kkl s TYR 120 Cb -0.43 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.60 2kkl s TYR 120 CO 0.48 -0.21 -0.23 0.54 -1.52 0.00 0.00 175.55 174.61 2kkl s VAL 121 N -2.20 2.03 0.00 -3.49 0.11 -1.25 -4.16 120.40 111.44 2kkl s VAL 121 Ca -0.07 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2kkl s VAL 121 Cb -0.05 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2kkl s VAL 121 CO -0.03 0.55 0.00 -3.20 -3.33 0.00 0.00 175.10 169.09 2kkl n ASN 122 N 3.60 -3.94 0.00 3.54 2.85 -1.25 -2.80 115.26 117.26 2kkl n ASN 122 Ca -0.19 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.37 2kkl n ASN 122 Cb 0.53 0.00 0.50 0.00 1.24 0.00 0.00 39.78 42.05 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kkl n ARG 123 N -1.09 0.34 -3.59 1.20 5.12 -1.26 -4.37 116.66 113.01 2kkl n ARG 123 Ca 0.00 0.09 -0.40 0.00 -1.93 0.00 0.00 57.85 55.60 2kkl n ARG 123 Cb 0.00 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 29.71 2kkl n ARG 123 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2kkl s GLU 124 N -2.46 2.43 0.01 5.56 2.56 -1.12 -5.07 118.70 120.60 2kkl s GLU 124 Ca 0.20 -1.81 -0.30 0.00 0.00 0.00 0.00 54.97 53.06 2kkl s GLU 124 Cb 0.13 -3.88 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 2kkl s GLU 124 CO 0.28 -1.18 1.14 -1.25 -0.56 0.00 0.00 175.26 173.69 2kkl s PRO 125 N 1.26 4.44 0.10 4.30 0.04 -1.26 -3.92 135.00 139.96 2kkl s PRO 125 Ca 0.07 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.76 2kkl s PRO 125 Cb -0.25 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2kkl s PRO 125 CO -0.01 -0.26 -0.05 0.14 0.04 0.00 0.00 177.00 176.86 2kkl s VAL 126 N 1.41 0.58 0.17 -0.36 -7.23 -1.26 -4.94 120.40 108.78 2kkl s VAL 126 Ca 0.56 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 2kkl s VAL 126 Cb -0.26 -1.73 0.07 0.00 0.56 0.00 0.00 36.38 35.03 2kkl s VAL 126 CO 0.26 -0.83 1.71 0.44 -0.31 0.00 0.00 175.10 176.37 2kkl h ASP 127 N 2.96 0.86 -5.02 4.85 3.32 -1.96 -3.44 116.42 117.99 2kkl h ASP 127 Ca -0.35 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 2kkl h ASP 127 Cb 1.17 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 2kkl h ASP 127 CO 0.64 0.83 0.12 -0.44 -1.72 0.00 0.00 179.24 178.67 2kkl s SER 128 N -6.18 -0.48 -0.04 6.45 0.01 -1.26 -3.28 113.70 108.92 2kkl s SER 128 Ca -0.13 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 2kkl s SER 128 Cb 0.13 0.55 0.11 0.00 0.21 0.00 0.00 66.02 67.01 2kkl s SER 128 CO 0.81 -0.88 0.93 0.00 0.41 0.00 0.00 173.24 174.51 2kkl s ALA 129 N -3.37 -1.86 0.01 1.44 0.00 -1.04 -5.00 121.76 111.95 2kkl s ALA 129 Ca -0.00 1.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 2kkl s ALA 129 Cb -0.00 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2kkl s ALA 129 CO -0.09 -0.64 0.88 0.08 0.00 0.00 0.00 175.76 175.98 2kkl s VAL 130 N -2.87 4.82 0.47 0.00 1.01 -1.26 -1.73 120.40 120.85 2kkl s VAL 130 Ca 0.05 1.86 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 2kkl s VAL 130 Cb -0.01 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2kkl s VAL 130 CO -0.08 0.24 1.01 -0.76 0.00 0.00 0.00 175.10 175.51 2kkl s LEU 131 N 0.62 3.85 0.04 3.92 1.43 0.53 -4.94 118.68 124.13 2kkl s LEU 131 Ca 0.46 1.84 -0.02 0.00 -1.03 0.00 0.00 54.13 55.38 2kkl s LEU 131 Cb -0.21 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.43 2kkl s LEU 131 CO 0.25 -0.66 0.00 0.00 0.23 0.00 0.00 176.35 176.17 2kkl s ALA 132 N -2.08 0.29 0.25 4.21 0.00 -1.26 -4.59 121.76 118.58 2kkl s ALA 132 Ca 0.65 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 2kkl s ALA 132 Cb -0.14 0.25 -0.13 0.00 0.00 0.00 0.00 23.12 23.10 2kkl s ALA 132 CO 0.19 -0.32 1.44 -1.71 0.00 0.00 0.00 175.76 175.36 2kkl n ASN 133 N 0.57 2.99 0.00 0.00 5.15 -1.26 -1.57 115.26 121.14 2kkl n ASN 133 Ca -0.17 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 2kkl n ASN 133 Cb 0.59 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 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 2.10 0.45 3.78 8.20 0.00 -1.00 -5.01 105.19 113.71 2kkl n GLY 134 Ca 0.11 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2kkl n GLY 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kkl s ASP 135 N -2.83 6.47 -0.14 1.61 -1.08 -0.61 -4.96 116.67 115.14 2kkl s ASP 135 Ca 0.00 0.55 -0.16 0.00 -0.52 0.00 0.00 52.55 52.43 2kkl s ASP 135 Cb 0.00 -2.16 -0.04 0.00 -1.46 0.00 0.00 42.92 39.25 2kkl s ASP 135 CO 0.00 0.21 0.37 -1.61 0.52 0.00 0.00 175.17 174.66 2kkl s GLU 136 N -0.10 4.27 -0.07 4.34 2.02 -1.26 -0.38 118.70 127.53 2kkl s GLU 136 Ca 0.17 0.25 0.04 0.00 0.02 0.00 0.00 54.97 55.44 2kkl s GLU 136 Cb -0.13 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2kkl s GLU 136 CO 0.05 0.22 -0.18 0.08 0.02 0.00 0.00 175.26 175.45 2kkl s VAL 137 N 0.47 1.58 -0.09 2.63 1.01 -0.24 -3.81 120.40 121.96 2kkl s VAL 137 Ca 0.21 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2kkl s VAL 137 Cb -0.14 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2kkl s VAL 137 CO 0.07 0.45 -0.15 -1.58 0.00 0.00 0.00 175.10 173.89 2kkl s GLN 138 N 0.26 2.08 -0.14 2.72 0.74 -1.26 -0.79 119.66 123.26 2kkl s GLN 138 Ca -0.11 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 54.78 2kkl s GLN 138 Cb -0.15 -1.73 -0.01 0.00 1.10 0.00 0.00 33.01 32.23 2kkl s GLN 138 CO 0.05 -0.01 -0.14 0.42 -0.55 0.00 0.00 175.29 175.05 2kkl s ILE 139 N 0.82 2.82 0.00 -2.34 1.01 -0.80 -4.29 121.20 118.42 2kkl s ILE 139 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2kkl s ILE 139 Cb -0.16 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2kkl s ILE 139 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.08 2kkl n GLY 140 N 3.82 0.31 0.00 6.18 0.00 -1.26 -1.04 105.19 113.20 2kkl n GLY 140 Ca -0.19 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 2.78 -2.50 1.61 2.85 -1.26 -5.05 118.16 116.59 2kkl n LYS 141 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 2kkl n LYS 141 Cb 0.00 -0.71 -0.04 0.00 -0.65 0.00 0.00 35.03 33.63 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 -1.06 3.52 -0.16 5.58 0.08 -0.21 -5.03 117.98 120.70 2kkl s PHE 142 Ca 0.00 1.70 -0.06 0.00 0.12 0.00 0.00 56.93 58.69 2kkl s PHE 142 Cb 0.00 -3.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 2kkl s PHE 142 CO 0.00 -0.52 0.03 1.03 -0.10 0.00 0.00 175.22 175.66 2kkl s ARG 143 N -1.69 3.74 0.07 0.44 0.52 -1.26 -1.91 118.95 118.87 2kkl s ARG 143 Ca 0.48 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 2kkl s ARG 143 Cb -0.29 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2kkl s ARG 143 CO 0.37 0.35 -0.09 -0.51 0.02 0.00 0.00 175.30 175.45 2kkl s LEU 144 N 0.12 2.33 -0.08 2.53 1.02 0.03 -1.87 118.68 122.75 2kkl s LEU 144 Ca 0.03 -0.68 0.04 0.00 0.02 0.00 0.00 54.13 53.54 2kkl s LEU 144 Cb -0.13 -0.22 0.00 0.00 0.02 0.00 0.00 46.19 45.87 2kkl s LEU 144 CO 0.01 -0.24 -0.21 0.54 0.02 0.00 0.00 176.35 176.47 2kkl s VAL 145 N -1.93 1.80 -0.41 -1.59 0.11 -0.76 -1.07 120.40 116.55 2kkl s VAL 145 Ca -0.03 -0.88 -0.20 0.00 -2.93 0.00 0.00 61.98 57.94 2kkl s VAL 145 Cb -0.06 -1.56 0.02 0.00 -1.53 0.00 0.00 36.38 33.24 2kkl s VAL 145 CO -0.00 0.50 0.60 0.12 -3.33 0.00 0.00 175.10 172.99 2kkl s PHE 146 N 0.30 3.10 0.02 1.54 2.19 0.49 -2.56 117.98 123.06 2kkl s PHE 146 Ca -0.14 -0.00 0.04 0.00 0.33 0.00 0.00 56.93 57.16 2kkl s PHE 146 Cb -0.16 -3.21 -0.02 0.00 -1.31 0.00 0.00 43.02 38.32 2kkl s PHE 146 CO 0.06 -0.77 -0.13 -0.51 1.83 0.00 0.00 175.22 175.71 2kkl s LEU 147 N 2.67 2.10 0.70 6.12 1.43 -1.01 -2.36 118.68 128.33 2kkl s LEU 147 Ca 0.21 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 2kkl s LEU 147 Cb -0.15 -0.58 0.07 0.00 0.03 0.00 0.00 46.19 45.56 2kkl s LEU 147 CO 0.17 0.08 1.00 0.42 0.23 0.00 0.00 176.35 178.25 2kkl s THR 148 N -0.60 2.29 0.00 5.49 -4.23 -1.26 -2.37 115.64 114.96 2kkl s THR 148 Ca 0.02 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2kkl s THR 148 Cb -0.06 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.81 2kkl s THR 148 CO 0.00 0.00 0.53 0.61 -0.54 0.00 0.00 174.62 175.22 2kkl n GLY 149 N -2.89 -3.51 0.00 3.99 0.00 -1.26 -4.88 105.19 96.63 2kkl n GLY 149 Ca 0.09 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2kkl n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kkl n HIS 150 N -1.02 0.00 0.00 1.61 -0.00 -1.26 -5.04 115.22 109.51 2kkl n HIS 150 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kkl n HIS 150 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kkl n HIS 150 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kkl n LYS 151 N 0.00 0.00 -2.49 1.57 5.02 -1.26 -4.57 118.16 116.43 2kkl n LYS 151 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 2kkl n LYS 151 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2kkl n LYS 151 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2kkl s GLN 152 N 0.00 3.87 0.00 1.97 -2.07 -1.26 -4.51 119.66 117.66 2kkl s GLN 152 Ca 0.00 1.47 0.00 0.00 -1.82 0.00 0.00 55.36 55.01 2kkl s GLN 152 Cb 0.00 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.66 2kkl s GLN 152 CO 0.00 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 2kkl n GLY 153 N 0.05 0.37 3.77 2.60 0.00 -1.26 -4.98 105.19 105.74 2kkl n GLY 153 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 4.10 0.24 1.61 8.01 -1.26 -4.56 118.70 126.84 2kkl s GLU 154 Ca 0.00 2.34 0.00 0.00 0.01 0.00 0.00 54.97 57.32 2kkl s GLU 154 Cb 0.00 -2.91 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 2kkl s GLU 154 CO 0.00 -0.45 0.00 -0.25 0.01 0.00 0.00 175.26 174.57 2kkl n ASP 155 N 0.41 -7.91 -4.76 -0.19 8.00 -1.26 -4.85 116.55 105.99 2kkl n ASP 155 Ca 0.02 1.36 -0.40 0.00 0.71 0.00 0.00 54.79 56.47 2kkl n ASP 155 Cb 0.41 -4.66 -0.04 0.00 -0.02 0.00 0.00 41.12 36.81 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 -0.97 4.55 -1.08 0.64 2.01 -1.26 -4.91 118.68 117.65 2kkl s LEU 156 Ca 0.00 2.24 -0.23 0.00 0.01 0.00 0.00 54.13 56.15 2kkl s LEU 156 Cb 0.00 -3.62 -0.06 0.00 0.01 0.00 0.00 46.19 42.52 2kkl s LEU 156 CO 0.00 -0.14 1.90 -0.70 1.01 0.00 0.00 176.35 178.42 2kkl s GLU 157 N -1.30 2.68 0.16 1.70 2.12 -1.26 -4.73 118.70 118.07 2kkl s GLU 157 Ca 0.45 -0.91 -0.10 0.00 0.36 0.00 0.00 54.97 54.76 2kkl s GLU 157 Cb -0.31 -5.21 0.03 0.00 0.26 0.00 0.00 34.13 28.89 2kkl s GLU 157 CO 0.40 -3.56 1.58 1.25 -0.54 0.00 0.00 175.26 174.39 2kkl h HIS 158 N 10.13 1.13 -0.09 5.30 -0.00 -2.01 -3.41 115.15 126.19 2kkl h HIS 158 Ca 0.19 -0.24 -0.33 0.00 -0.00 0.00 0.00 60.37 59.99 2kkl h HIS 158 Cb 0.96 -0.28 -0.10 0.00 -0.00 0.00 0.00 27.41 28.00 2kkl h HIS 158 CO 1.23 1.06 1.70 0.72 -0.00 0.00 0.00 177.93 182.64 2kkl n HIS 159 N -4.16 0.28 0.96 5.26 8.25 -1.26 -4.62 115.22 119.92 2kkl n HIS 159 Ca 0.01 0.05 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 2kkl n HIS 159 Cb 0.41 -1.10 0.04 0.00 1.12 0.00 0.00 29.99 30.46 2kkl n HIS 159 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kkl n HIS 160 N 8.32 0.02 -2.73 4.41 -0.00 -1.26 -4.92 115.22 119.05 2kkl n HIS 160 Ca 0.64 0.01 -0.34 0.00 -0.00 0.00 0.00 57.72 58.02 2kkl n HIS 160 Cb 0.18 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 29.97 2kkl n HIS 160 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kkl s HIS 161 N -3.02 3.32 0.24 4.41 3.76 -1.26 -4.95 115.29 117.78 2kkl s HIS 161 Ca 0.09 1.64 -0.06 0.00 -0.15 0.00 0.00 55.06 56.58 2kkl s HIS 161 Cb 0.17 -2.94 0.23 0.00 1.11 0.00 0.00 32.58 31.15 2kkl s HIS 161 CO 0.79 -0.25 1.84 0.45 -0.85 0.00 0.00 174.74 176.73 2kkl h HIS 162 N 2.14 1.20 0.00 1.40 -0.00 -2.02 -3.54 115.15 114.33 2kkl h HIS 162 Ca -0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.84 2kkl h HIS 162 Cb 1.19 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 2kkl h HIS 162 CO 0.60 0.85 0.00 1.58 -0.00 0.00 0.00 177.93 180.96