#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 -1.91 3.52 -1.74 -1.26 -5.06 117.46 111.01 2kkl n PHE 25 Ca 0.00 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.48 2kkl n PHE 25 Cb 0.00 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 40.99 2kkl n PHE 25 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2kkl s ARG 26 N 2.35 4.20 0.00 3.97 3.52 -1.26 -4.93 118.95 126.79 2kkl s ARG 26 Ca 0.00 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 2kkl s ARG 26 Cb 0.00 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2kkl s ARG 26 CO 0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 175.30 174.07 2kkl n ALA 27 N 0.74 0.00 -0.02 6.12 0.00 -1.26 -4.99 120.51 121.11 2kkl n ALA 27 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2kkl n ALA 27 Cb 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 2kkl n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kkl n ASP 28 N 0.00 0.35 0.18 0.00 8.00 -1.26 -4.29 116.55 119.54 2kkl n ASP 28 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2kkl n ASP 28 Cb 0.00 1.82 0.11 0.00 -0.02 0.00 0.00 41.12 43.03 2kkl n ASP 28 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2kkl h PHE 29 N 0.00 0.00 -7.01 1.24 -5.15 -1.95 -3.48 116.94 100.59 2kkl h PHE 29 Ca -0.06 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.15 2kkl h PHE 29 Cb 1.07 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.22 2kkl h PHE 29 CO 0.00 0.10 -0.94 1.28 -2.00 0.00 0.00 178.31 176.75 2kkl n LEU 30 N -3.04 -0.10 0.00 2.10 4.32 -1.26 -4.40 117.00 114.62 2kkl n LEU 30 Ca 0.02 -1.21 0.00 0.00 -0.02 0.00 0.00 56.01 54.80 2kkl n LEU 30 Cb 0.58 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 2kkl n LEU 30 CO 0.36 0.77 0.00 -0.24 -1.22 0.00 0.00 177.39 177.06 2kkl n SER 31 N -1.89 0.00 0.00 -1.43 2.88 -1.26 -4.61 113.62 107.31 2kkl n SER 31 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2kkl n SER 31 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2kkl n SER 31 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kkl n GLU 32 N 0.00 0.00 -0.59 -1.46 4.07 -1.26 -4.77 120.64 116.64 2kkl n GLU 32 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 2kkl n GLU 32 Cb 0.00 -4.00 -0.02 0.00 -0.06 0.00 0.00 31.44 27.36 2kkl n GLU 32 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2kkl n LEU 33 N 0.00 0.00 0.00 4.31 4.77 -1.26 -4.36 117.00 120.46 2kkl n LEU 33 Ca 0.00 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2kkl n LEU 33 Cb 0.00 -2.04 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 2kkl n LEU 33 CO 0.00 -1.19 0.00 -0.67 -1.33 0.00 0.00 177.39 174.20 2kkl n ASP 34 N -4.37 0.00 -2.73 -1.43 -0.08 -1.26 -4.76 116.55 101.92 2kkl n ASP 34 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2kkl n ASP 34 Cb 0.27 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.73 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kkl n ALA 35 N 4.81 -2.25 -1.79 -1.67 0.00 -1.26 -4.98 120.51 113.37 2kkl n ALA 35 Ca 0.00 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 2kkl n ALA 35 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 17.80 2kkl n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kkl s PRO 36 N -3.13 4.33 0.01 0.00 0.04 -1.26 -4.97 135.00 130.02 2kkl s PRO 36 Ca 0.04 1.40 0.22 0.00 0.04 0.00 0.00 61.00 62.70 2kkl s PRO 36 Cb -0.01 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 2kkl s PRO 36 CO 0.58 0.03 0.94 0.00 0.04 0.00 0.00 177.00 178.59 2kkl n ALA 37 N 0.10 3.94 -2.02 8.56 0.00 -1.26 -4.92 120.51 124.91 2kkl n ALA 37 Ca 0.04 -0.50 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 2kkl n ALA 37 Cb 0.50 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 2kkl n ALA 37 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2kkl s GLN 38 N -3.13 4.56 0.00 0.00 1.03 -1.26 -4.91 119.66 115.95 2kkl s GLN 38 Ca 0.05 1.15 0.00 0.00 0.04 0.00 0.00 55.36 56.60 2kkl s GLN 38 Cb 0.15 -3.27 0.00 0.00 0.03 0.00 0.00 33.01 29.92 2kkl s GLN 38 CO 0.84 0.54 0.00 0.00 -2.54 0.00 0.00 175.29 174.13 2kkl n ALA 39 N 1.72 0.46 -0.95 2.60 0.00 -1.26 -5.12 120.51 117.96 2kkl n ALA 39 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kkl n ALA 39 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.56 3.27 3.41 0.00 0.00 -1.26 -4.93 105.19 106.23 2kkl n GLY 40 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -6.32 0.97 2.61 -1.04 -1.26 -4.88 114.28 104.36 2kkl n THR 41 Ca 0.00 0.09 0.12 0.00 -2.04 0.00 0.00 64.05 62.22 2kkl n THR 41 Cb 0.00 -4.72 0.10 0.00 -1.82 0.00 0.00 70.33 63.90 2kkl n THR 41 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2kkl n GLU 42 N -1.50 2.32 -2.03 -2.82 0.28 -1.26 -4.97 120.64 110.66 2kkl n GLU 42 Ca -0.12 -1.93 -0.37 0.00 -0.16 0.00 0.00 57.16 54.57 2kkl n GLU 42 Cb 0.61 -1.46 0.02 0.00 1.43 0.00 0.00 31.44 32.04 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kkl s SER 43 N -1.97 5.59 -0.43 -1.84 0.01 -1.26 -4.99 113.70 108.81 2kkl s SER 43 Ca 0.28 2.49 0.00 0.00 1.31 0.00 0.00 55.95 60.03 2kkl s SER 43 Cb 0.20 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 64.02 2kkl s SER 43 CO 0.30 -1.33 0.91 0.00 0.41 0.00 0.00 173.24 173.54 2kkl n ALA 44 N -0.97 -2.82 -1.93 1.44 0.00 -1.26 -5.15 120.51 109.83 2kkl n ALA 44 Ca 0.10 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.67 2kkl n ALA 44 Cb 0.47 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 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 0.92 4.34 0.00 0.00 -7.23 -1.26 -4.92 120.40 112.24 2kkl s VAL 45 Ca 0.27 1.68 0.00 0.00 -1.81 0.00 0.00 61.98 62.12 2kkl s VAL 45 Cb 0.07 -4.06 0.00 0.00 0.56 0.00 0.00 36.38 32.94 2kkl s VAL 45 CO -0.08 0.34 0.00 -1.54 -0.31 0.00 0.00 175.10 173.51 2kkl n SER 46 N 1.09 -0.18 0.00 4.85 3.41 -1.26 -4.98 113.62 116.55 2kkl n SER 46 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2kkl n SER 46 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 -0.03 3.70 5.00 0.00 -1.26 -5.11 105.19 107.49 2kkl n GLY 47 Ca 0.00 0.39 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 0.87 5.09 0.00 1.61 -7.23 -1.26 -4.76 120.40 114.72 2kkl s VAL 48 Ca 0.00 1.18 0.00 0.00 -1.81 0.00 0.00 61.98 61.35 2kkl s VAL 48 Cb 0.00 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 33.01 2kkl s VAL 48 CO 0.00 0.23 0.00 -1.84 -0.31 0.00 0.00 175.10 173.18 2kkl n GLU 49 N 4.15 0.00 -0.02 4.82 0.28 -1.26 -4.91 120.64 123.69 2kkl n GLU 49 Ca -0.03 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.06 2kkl n GLU 49 Cb 0.51 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.47 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kkl n GLY 50 N -1.35 0.59 1.37 -1.84 0.00 -1.26 -4.98 105.19 97.72 2kkl n GLY 50 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 2kkl n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kkl n LEU 51 N 1.04 -0.42 -4.50 0.99 -0.00 -1.26 -4.78 117.00 108.07 2kkl n LEU 51 Ca 0.11 -0.15 -0.34 0.00 -0.00 0.00 0.00 56.01 55.63 2kkl n LEU 51 Cb 0.46 -0.24 0.10 0.00 -0.00 0.00 0.00 43.42 43.74 2kkl n LEU 51 CO 0.12 -0.50 0.18 -2.65 -0.00 0.00 0.00 177.39 174.54 2kkl n PRO 52 N 2.43 0.05 -2.18 1.96 -0.02 -1.26 -4.65 135.00 131.32 2kkl n PRO 52 Ca 0.26 0.07 -0.36 0.00 -2.02 0.00 0.00 63.50 61.46 2kkl n PRO 52 Cb 0.04 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2kkl n PRO 52 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kkl s PRO 53 N -3.42 3.30 0.00 0.52 0.04 -1.26 -3.12 135.00 131.05 2kkl s PRO 53 Ca 0.64 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2kkl s PRO 53 Cb -0.28 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2kkl s PRO 53 CO 0.60 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2kkl n GLY 54 N 0.31 1.21 3.53 0.56 0.00 -1.26 -5.02 105.19 104.52 2kkl n GLY 54 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2kkl n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkl s LEU 55 N 0.00 2.83 0.05 0.99 2.01 -1.18 -5.02 118.68 118.36 2kkl s LEU 55 Ca 0.00 -0.56 -0.09 0.00 0.01 0.00 0.00 54.13 53.49 2kkl s LEU 55 Cb 0.00 -1.61 0.00 0.00 0.01 0.00 0.00 46.19 44.60 2kkl s LEU 55 CO 0.00 0.15 0.18 0.00 1.01 0.00 0.00 176.35 177.69 2kkl s ALA 56 N -1.38 -0.29 0.25 4.21 0.00 -1.26 -3.17 121.76 120.11 2kkl s ALA 56 Ca 0.21 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2kkl s ALA 56 Cb -0.10 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2kkl s ALA 56 CO 0.12 -0.40 0.14 -0.48 0.00 0.00 0.00 175.76 175.15 2kkl s LEU 57 N -2.31 1.41 -0.07 0.00 0.05 -1.08 -2.46 118.68 114.23 2kkl s LEU 57 Ca -0.02 -1.46 0.05 0.00 0.05 0.00 0.00 54.13 52.75 2kkl s LEU 57 Cb 0.01 0.29 -0.01 0.00 -2.05 0.00 0.00 46.19 44.42 2kkl s LEU 57 CO -0.06 -0.85 -0.22 -0.76 -0.55 0.00 0.00 176.35 173.91 2kkl s LEU 58 N -3.25 2.21 -0.12 1.48 1.43 -0.98 -2.71 118.68 116.75 2kkl s LEU 58 Ca 0.38 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2kkl s LEU 58 Cb 0.06 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2kkl s LEU 58 CO 0.15 0.23 -0.18 -0.69 0.23 0.00 0.00 176.35 176.09 2kkl s VAL 59 N -0.08 2.60 0.20 -1.59 1.01 -1.01 -2.14 120.40 119.40 2kkl s VAL 59 Ca -0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2kkl s VAL 59 Cb -0.14 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 2kkl s VAL 59 CO 0.04 0.54 1.29 -0.69 0.00 0.00 0.00 175.10 176.28 2kkl s VAL 60 N 0.34 3.25 -0.51 2.92 1.01 -1.08 -2.08 120.40 124.23 2kkl s VAL 60 Ca -0.15 1.04 0.02 0.00 0.00 0.00 0.00 61.98 62.90 2kkl s VAL 60 Cb -0.17 -3.67 0.51 0.00 0.00 0.00 0.00 36.38 33.06 2kkl s VAL 60 CO 0.07 0.16 1.81 1.17 0.00 0.00 0.00 175.10 178.32 2kkl n LYS 61 N 2.48 2.60 -4.57 2.72 3.00 -0.83 -4.47 118.16 119.09 2kkl n LYS 61 Ca 0.05 -3.34 -0.23 0.00 -0.00 0.00 0.00 58.31 54.79 2kkl n LYS 61 Cb 0.43 -2.20 -0.14 0.00 0.00 0.00 0.00 35.03 33.12 2kkl n LYS 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kkl s ARG 62 N -3.60 1.23 0.03 1.64 0.52 -1.26 -4.90 118.95 112.62 2kkl s ARG 62 Ca 0.58 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 2kkl s ARG 62 Cb 0.48 -1.29 -0.17 0.00 0.52 0.00 0.00 34.95 34.49 2kkl s ARG 62 CO 0.03 0.33 1.35 0.78 0.02 0.00 0.00 175.30 177.81 2kkl h GLY 63 N 5.05 -0.84 -0.46 -3.53 0.00 -1.95 1.23 103.07 102.57 2kkl h GLY 63 Ca -0.40 0.31 0.32 0.00 0.00 0.00 0.00 47.33 47.56 2kkl h GLY 63 CO 0.45 -0.30 0.70 -2.55 0.00 0.00 0.00 176.54 174.84 2kkl h PRO 64 N -0.99 0.30 -0.01 4.80 0.11 -2.01 0.15 132.00 134.34 2kkl h PRO 64 Ca -0.08 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 2kkl h PRO 64 Cb 0.67 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 2kkl h PRO 64 CO 0.13 0.20 -0.26 0.09 -0.21 0.00 0.00 178.00 177.96 2kkl n ASN 65 N -4.72 2.06 -4.77 -2.05 4.13 -1.16 -5.05 115.26 103.70 2kkl n ASN 65 Ca 0.30 -3.52 -0.40 0.00 1.68 0.00 0.00 54.58 52.63 2kkl n ASN 65 Cb 1.04 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.78 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kkl s ALA 66 N -3.07 3.45 0.00 5.41 0.00 0.42 -2.81 121.76 125.17 2kkl s ALA 66 Ca 0.36 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2kkl s ALA 66 Cb 0.33 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2kkl s ALA 66 CO -0.02 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2kkl n GLY 67 N 0.75 3.05 3.75 0.00 0.00 -1.26 -5.01 105.19 106.47 2kkl n GLY 67 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.17 6.58 0.01 1.61 0.01 -1.12 -4.94 113.70 114.68 2kkl s SER 68 Ca 0.00 2.77 -0.01 0.00 1.31 0.00 0.00 55.95 60.02 2kkl s SER 68 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 2kkl s SER 68 CO 0.00 -0.73 0.00 -0.13 0.41 0.00 0.00 173.24 172.79 2kkl s ARG 69 N -0.87 0.23 -0.03 12.44 0.52 -1.26 -2.65 118.95 127.34 2kkl s ARG 69 Ca 0.57 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 2kkl s ARG 69 Cb -0.43 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.12 2kkl s ARG 69 CO 0.48 -0.04 -0.13 -0.06 0.02 0.00 0.00 175.30 175.57 2kkl s PHE 70 N -0.99 1.33 -0.18 -0.53 0.08 -0.91 -4.96 117.98 111.82 2kkl s PHE 70 Ca -0.11 -0.34 -0.07 0.00 0.12 0.00 0.00 56.93 56.53 2kkl s PHE 70 Cb -0.07 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 2kkl s PHE 70 CO -0.00 -0.11 0.06 -1.17 -0.10 0.00 0.00 175.22 173.90 2kkl s LEU 71 N 0.01 3.80 -1.18 -0.37 2.96 -1.26 -2.31 118.68 120.32 2kkl s LEU 71 Ca -0.01 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 2kkl s LEU 71 Cb -0.09 -1.96 0.24 0.00 0.50 0.00 0.00 46.19 44.88 2kkl s LEU 71 CO 0.01 0.17 1.67 0.18 -1.32 0.00 0.00 176.35 177.06 2kkl n LEU 72 N 3.56 6.51 -2.03 -0.68 4.77 -1.03 -4.74 117.00 123.36 2kkl n LEU 72 Ca -0.17 -4.92 -0.22 0.00 -0.03 0.00 0.00 56.01 50.68 2kkl n LEU 72 Cb 0.52 -1.38 0.10 0.00 -2.33 0.00 0.00 43.42 40.33 2kkl n LEU 72 CO 0.35 1.52 1.22 -0.67 -1.33 0.00 0.00 177.39 178.47 2kkl n ASP 73 N 2.68 5.24 -3.95 -1.43 -0.08 -1.26 -4.68 116.55 113.07 2kkl n ASP 73 Ca 0.33 -3.33 -0.09 0.00 -1.51 0.00 0.00 54.79 50.18 2kkl n ASP 73 Cb 0.35 -0.88 -0.11 0.00 2.34 0.00 0.00 41.12 42.83 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 -2.69 0.39 0.09 -0.67 0.74 -1.26 -5.06 119.66 111.20 2kkl s GLN 74 Ca 0.46 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 55.07 2kkl s GLN 74 Cb 0.37 0.15 -0.09 0.00 1.10 0.00 0.00 33.01 34.54 2kkl s GLN 74 CO 0.04 -0.08 1.64 0.00 -0.55 0.00 0.00 175.29 176.34 2kkl h ALA 75 N 4.41 0.24 -3.25 1.58 0.00 -1.96 -3.42 119.26 116.85 2kkl h ALA 75 Ca -0.32 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 53.89 2kkl h ALA 75 Cb 1.20 -0.07 -0.34 0.00 0.00 0.00 0.00 17.79 18.57 2kkl h ALA 75 CO 0.43 -0.18 -0.84 0.42 0.00 0.00 0.00 179.25 179.08 2kkl s ILE 76 N -5.59 1.59 -0.15 0.00 1.01 -1.26 -1.22 121.20 115.58 2kkl s ILE 76 Ca -0.14 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2kkl s ILE 76 Cb 0.07 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 41.12 2kkl s ILE 76 CO 0.70 0.46 -0.17 -0.89 0.00 0.00 0.00 174.94 175.04 2kkl s THR 77 N 0.97 1.77 0.36 2.92 2.01 -0.95 -4.99 115.64 117.73 2kkl s THR 77 Ca -0.06 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 2kkl s THR 77 Cb -0.15 -1.62 -0.07 0.00 0.01 0.00 0.00 72.50 70.67 2kkl s THR 77 CO -0.02 0.49 0.72 -0.44 -0.69 0.00 0.00 174.62 174.68 2kkl s SER 78 N 1.20 6.59 -0.17 3.53 0.01 -1.26 -1.53 113.70 122.06 2kkl s SER 78 Ca 0.00 1.11 0.01 0.00 1.31 0.00 0.00 55.95 58.37 2kkl s SER 78 Cb -0.14 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2kkl s SER 78 CO -0.08 -0.30 -0.18 0.00 0.41 0.00 0.00 173.24 173.10 2kkl s ALA 79 N -2.19 2.40 0.00 1.44 0.00 -0.99 -4.31 121.76 118.10 2kkl s ALA 79 Ca 0.51 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2kkl s ALA 79 Cb -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2kkl s ALA 79 CO 0.27 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2kkl n GLY 80 N 4.39 0.58 3.15 0.00 0.00 -1.26 -3.37 105.19 108.68 2kkl n GLY 80 Ca -0.20 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 3.02 -0.05 1.61 3.52 -1.18 -2.50 118.95 123.38 2kkl s ARG 81 Ca 0.00 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 2kkl s ARG 81 Cb 0.00 -2.53 0.11 0.00 -1.56 0.00 0.00 34.95 30.97 2kkl s ARG 81 CO 0.00 -0.13 1.02 -3.38 -0.81 0.00 0.00 175.30 171.99 2kkl s HIS 82 N 1.11 -0.24 0.00 5.12 -3.43 -1.26 -4.87 115.29 111.72 2kkl s HIS 82 Ca 0.00 0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.38 2kkl s HIS 82 Cb -0.14 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 2kkl s HIS 82 CO -0.09 -0.45 0.31 -0.35 -2.00 0.00 0.00 174.74 172.16 2kkl n PRO 83 N -0.23 0.00 -2.60 -0.38 -0.04 -1.26 -4.51 135.00 125.97 2kkl n PRO 83 Ca -0.06 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 2kkl n PRO 83 Cb 0.61 -0.84 -0.03 0.00 -0.04 0.00 0.00 33.50 33.19 2kkl n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kkl s ASP 84 N -1.67 6.25 -0.29 3.54 1.01 -1.26 -4.91 116.67 119.35 2kkl s ASP 84 Ca 0.00 -0.80 -0.15 0.00 0.71 0.00 0.00 52.55 52.31 2kkl s ASP 84 Cb 0.00 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.53 2kkl s ASP 84 CO 0.00 -1.69 0.88 -0.94 0.21 0.00 0.00 175.17 173.64 2kkl s SER 85 N 4.00 -0.68 0.29 0.27 1.04 -1.26 -4.83 113.70 112.53 2kkl s SER 85 Ca 0.36 1.04 -0.02 0.00 0.48 0.00 0.00 55.95 57.81 2kkl s SER 85 Cb -0.07 1.45 0.43 0.00 0.10 0.00 0.00 66.02 67.93 2kkl s SER 85 CO 0.08 -0.16 1.92 0.44 0.98 0.00 0.00 173.24 176.50 2kkl h ASP 86 N 6.75 0.88 -3.40 7.02 3.32 -1.90 -3.39 116.42 125.70 2kkl h ASP 86 Ca -0.25 -0.07 -0.60 0.00 0.02 0.00 0.00 57.03 56.13 2kkl h ASP 86 Cb 1.18 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.40 2kkl h ASP 86 CO 0.16 0.71 0.27 -0.63 -1.72 0.00 0.00 179.24 178.03 2kkl s ILE 87 N -5.66 4.93 -0.49 0.35 -1.09 -1.26 -4.93 121.20 113.06 2kkl s ILE 87 Ca -0.11 1.30 0.03 0.00 -2.23 0.00 0.00 60.65 59.64 2kkl s ILE 87 Cb 0.17 -4.00 0.15 0.00 -1.58 0.00 0.00 42.46 37.20 2kkl s ILE 87 CO 0.79 -0.00 0.31 0.12 -1.23 0.00 0.00 174.94 174.94 2kkl s PHE 88 N 2.58 2.07 -0.40 3.97 5.36 -1.26 -4.26 117.98 126.04 2kkl s PHE 88 Ca 0.30 -2.57 -0.11 0.00 -0.96 0.00 0.00 56.93 53.59 2kkl s PHE 88 Cb -0.15 -1.81 0.05 0.00 -0.34 0.00 0.00 43.02 40.76 2kkl s PHE 88 CO 0.08 -0.74 0.26 -0.51 -1.46 0.00 0.00 175.22 172.84 2kkl s LEU 89 N -0.06 5.00 -1.00 6.12 1.43 -1.04 -5.02 118.68 124.12 2kkl s LEU 89 Ca 0.22 -1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 2kkl s LEU 89 Cb -0.14 -2.04 0.15 0.00 0.03 0.00 0.00 46.19 44.19 2kkl s LEU 89 CO -0.08 -0.47 1.18 -1.81 0.23 0.00 0.00 176.35 175.40 2kkl s ASP 90 N 1.88 6.76 -0.02 2.29 1.01 -1.26 -4.50 116.67 122.82 2kkl s ASP 90 Ca 0.03 -2.36 -0.18 0.00 0.71 0.00 0.00 52.55 50.75 2kkl s ASP 90 Cb -0.21 -2.38 0.03 0.00 1.01 0.00 0.00 42.92 41.37 2kkl s ASP 90 CO 0.06 -0.94 0.39 -1.81 0.21 0.00 0.00 175.17 173.07 2kkl s ASP 91 N 3.30 -0.29 0.43 0.27 1.01 -1.26 -5.02 116.67 115.11 2kkl s ASP 91 Ca 0.34 0.21 0.22 0.00 0.71 0.00 0.00 52.55 54.03 2kkl s ASP 91 Cb -0.05 0.36 0.92 0.00 1.01 0.00 0.00 42.92 45.17 2kkl s ASP 91 CO -0.07 -0.48 1.84 -0.37 0.21 0.00 0.00 175.17 176.29 2kkl h VAL 92 N 3.67 0.69 -0.27 -1.27 -1.51 -2.00 -2.78 116.25 112.79 2kkl h VAL 92 Ca -0.29 -1.15 -0.07 0.00 -1.23 0.00 0.00 66.70 63.96 2kkl h VAL 92 Cb 1.17 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 32.06 2kkl h VAL 92 CO 0.40 0.26 -0.12 0.71 -1.23 0.00 0.00 177.57 177.59 2kkl h THR 93 N 0.00 1.22 -3.77 7.19 1.35 -1.98 -3.39 112.91 113.53 2kkl h THR 93 Ca -0.00 -0.97 -0.66 0.00 -0.55 0.00 0.00 66.41 64.24 2kkl h THR 93 Cb 0.72 1.15 -0.19 0.00 -1.73 0.00 0.00 68.15 68.10 2kkl h THR 93 CO 0.03 0.31 -0.53 -0.69 -0.25 0.00 0.00 175.52 174.40 2kkl s VAL 94 N -4.74 5.03 1.10 6.82 1.01 -1.05 -4.64 120.40 123.94 2kkl s VAL 94 Ca -0.07 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2kkl s VAL 94 Cb 0.15 -3.47 0.24 0.00 0.00 0.00 0.00 36.38 33.30 2kkl s VAL 94 CO 0.77 0.16 1.12 -0.44 0.00 0.00 0.00 175.10 176.71 2kkl s SER 95 N 1.70 1.76 0.18 3.32 0.01 -1.26 -4.60 113.70 114.81 2kkl s SER 95 Ca 0.06 0.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.00 2kkl s SER 95 Cb -0.16 -1.19 0.09 0.00 0.21 0.00 0.00 66.02 64.97 2kkl s SER 95 CO 0.09 -3.62 1.83 -0.09 0.41 0.00 0.00 173.24 171.85 2kkl h ARG 96 N -2.24 0.82 -1.78 12.44 2.43 -1.89 -3.24 114.38 120.91 2kkl h ARG 96 Ca -0.49 -0.07 -0.53 0.00 -0.81 0.00 0.00 59.98 58.08 2kkl h ARG 96 Cb 1.31 -0.17 -0.41 0.00 -0.42 0.00 0.00 29.97 30.27 2kkl h ARG 96 CO 0.44 0.58 -0.86 0.54 -1.51 0.00 0.00 179.97 179.15 2kkl n ARG 97 N -4.62 2.53 -0.29 0.20 1.74 -1.26 -3.07 116.66 111.89 2kkl n ARG 97 Ca 0.04 -4.21 -0.05 0.00 -0.77 0.00 0.00 57.85 52.87 2kkl n ARG 97 Cb 0.05 -1.98 0.07 0.00 -1.02 0.00 0.00 32.46 29.58 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 2.86 1.02 -3.57 -1.55 2.76 -1.58 -3.42 115.15 111.69 2kkl h HIS 98 Ca 0.14 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 2kkl h HIS 98 Cb 0.83 -0.34 -0.15 0.00 1.55 0.00 0.00 27.41 29.31 2kkl h HIS 98 CO 0.71 0.68 -0.26 0.00 -1.30 0.00 0.00 177.93 177.75 2kkl s ALA 99 N -6.01 -0.53 0.05 5.26 0.00 -1.26 -2.67 121.76 116.61 2kkl s ALA 99 Ca -0.13 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2kkl s ALA 99 Cb 0.15 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2kkl s ALA 99 CO 0.79 -0.52 -0.11 -2.00 0.00 0.00 0.00 175.76 173.93 2kkl s GLU 100 N -3.48 0.69 -0.09 0.00 2.56 -1.08 -2.35 118.70 114.94 2kkl s GLU 100 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 54.97 54.21 2kkl s GLU 100 Cb 0.02 -0.60 -0.02 0.00 2.00 0.00 0.00 34.13 35.54 2kkl s GLU 100 CO -0.09 0.13 -0.13 -0.06 -0.56 0.00 0.00 175.26 174.55 2kkl s PHE 101 N -1.17 2.77 0.00 5.30 0.08 -0.58 -2.06 117.98 122.31 2kkl s PHE 101 Ca -0.04 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.69 2kkl s PHE 101 Cb -0.09 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2kkl s PHE 101 CO 0.01 0.02 -0.15 1.03 -0.10 0.00 0.00 175.22 176.03 2kkl s ARG 102 N -0.25 1.17 -0.21 0.44 0.52 -0.74 -2.24 118.95 117.64 2kkl s ARG 102 Ca 0.01 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 54.52 2kkl s ARG 102 Cb -0.13 -1.15 -0.05 0.00 0.52 0.00 0.00 34.95 34.14 2kkl s ARG 102 CO 0.03 0.31 0.19 -1.17 0.02 0.00 0.00 175.30 174.68 2kkl s LEU 103 N -0.53 4.16 -0.07 2.53 2.96 -0.36 -0.67 118.68 126.71 2kkl s LEU 103 Ca 0.05 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 2kkl s LEU 103 Cb -0.06 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 2kkl s LEU 103 CO -0.00 0.09 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.22 2kkl s GLU 104 N 0.79 2.31 0.58 1.98 2.56 -0.71 -4.95 118.70 121.26 2kkl s GLU 104 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 54.97 54.35 2kkl s GLU 104 Cb -0.13 -1.88 0.00 0.00 2.00 0.00 0.00 34.13 34.12 2kkl s GLU 104 CO 0.03 0.22 0.00 -1.71 -0.56 0.00 0.00 175.26 173.23 2kkl n ASN 105 N 3.33 0.00 -0.88 -1.70 2.85 -1.26 -0.36 115.26 117.24 2kkl n ASN 105 Ca -0.19 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.26 2kkl n ASN 105 Cb 0.53 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.52 2kkl n ASN 105 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2kkl n ASN 106 N 1.38 -0.20 -3.97 1.20 5.15 -1.26 -5.10 115.26 112.45 2kkl n ASN 106 Ca 0.00 -1.71 -0.17 0.00 -0.60 0.00 0.00 54.58 52.09 2kkl n ASN 106 Cb 0.00 0.03 -0.15 0.00 -0.53 0.00 0.00 39.78 39.14 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2kkl s GLU 107 N 0.00 0.59 0.40 1.20 -1.05 0.51 -5.01 118.70 115.34 2kkl s GLU 107 Ca 0.06 -0.22 -0.23 0.00 -0.15 0.00 0.00 54.97 54.43 2kkl s GLU 107 Cb 0.07 -0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 33.09 2kkl s GLU 107 CO -0.03 0.12 1.01 -0.06 0.95 0.00 0.00 175.26 177.24 2kkl s PHE 108 N -0.01 3.32 0.11 4.83 0.08 -1.26 -1.74 117.98 123.31 2kkl s PHE 108 Ca 0.01 1.66 0.04 0.00 0.12 0.00 0.00 56.93 58.75 2kkl s PHE 108 Cb -0.04 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2kkl s PHE 108 CO -0.00 -0.39 -0.10 -0.80 -0.10 0.00 0.00 175.22 173.83 2kkl s ASN 109 N -1.75 1.53 -0.03 1.36 0.01 0.16 -2.11 114.94 114.11 2kkl s ASN 109 Ca 0.58 -0.91 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 2kkl s ASN 109 Cb -0.18 0.01 -0.00 0.00 0.41 0.00 0.00 41.25 41.49 2kkl s ASN 109 CO 0.23 -0.32 -0.12 0.54 -1.51 0.00 0.00 177.10 175.93 2kkl s VAL 110 N -2.92 0.99 -0.05 1.60 0.11 -0.65 -1.79 120.40 117.68 2kkl s VAL 110 Ca 0.10 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2kkl s VAL 110 Cb 0.00 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2kkl s VAL 110 CO -0.01 0.29 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.22 2kkl s VAL 111 N 0.06 1.29 -0.34 2.04 1.01 -0.88 -2.35 120.40 121.24 2kkl s VAL 111 Ca -0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2kkl s VAL 111 Cb -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2kkl s VAL 111 CO 0.01 0.38 0.41 1.51 0.00 0.00 0.00 175.10 177.41 2kkl s ASP 112 N 0.26 6.23 0.00 3.32 -4.77 -1.26 -2.64 116.67 117.81 2kkl s ASP 112 Ca -0.08 -0.11 0.11 0.00 -3.30 0.00 0.00 52.55 49.18 2kkl s ASP 112 Cb -0.13 -2.22 0.26 0.00 -1.09 0.00 0.00 42.92 39.74 2kkl s ASP 112 CO 0.03 -0.37 1.17 1.33 0.70 0.00 0.00 175.17 178.03 2kkl n VAL 113 N 5.29 0.75 -2.46 2.11 0.24 -1.23 -4.83 118.33 118.19 2kkl n VAL 113 Ca -0.08 -0.88 -0.41 0.00 -2.04 0.00 0.00 64.34 60.94 2kkl n VAL 113 Cb 0.49 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.99 0.83 0.20 7.63 0.00 -1.09 -4.86 107.32 109.04 2kkl s GLY 114 Ca 0.21 -1.10 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 2kkl s GLY 114 CO 0.16 2.76 1.73 0.23 0.00 0.00 0.00 173.10 177.98 2kkl h SER 115 N 10.77 1.08 -0.61 1.64 0.87 -1.91 -1.71 113.55 123.68 2kkl h SER 115 Ca -0.27 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2kkl h SER 115 Cb 1.07 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 2kkl h SER 115 CO 1.24 1.01 0.34 0.25 -0.53 0.00 0.00 176.83 179.14 2kkl h LEU 116 N 1.09 0.76 0.00 2.23 5.85 -2.01 -3.44 115.31 119.80 2kkl h LEU 116 Ca 0.24 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2kkl h LEU 116 Cb 0.32 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2kkl h LEU 116 CO -0.01 0.64 0.00 -3.20 -0.34 0.00 0.00 178.44 175.53 2kkl n ASN 117 N -4.57 0.00 0.00 1.25 5.15 -1.07 -5.17 115.26 110.84 2kkl n ASN 117 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2kkl n ASN 117 Cb 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 2kkl n ASN 117 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kkl n GLY 118 N 1.47 0.47 3.82 8.20 0.00 -0.66 -4.81 105.19 113.67 2kkl n GLY 118 Ca 0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.81 4.08 0.13 2.61 2.01 -1.26 -4.94 115.64 115.46 2kkl s THR 119 Ca 0.00 0.76 -0.09 0.00 0.31 0.00 0.00 61.69 62.67 2kkl s THR 119 Cb 0.00 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.04 2kkl s THR 119 CO 0.00 -0.80 0.25 -0.72 -0.69 0.00 0.00 174.62 172.66 2kkl s TYR 120 N -2.90 0.27 -0.11 4.92 -0.85 -1.26 -4.57 117.35 112.85 2kkl s TYR 120 Ca 0.59 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 56.51 2kkl s TYR 120 Cb -0.14 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.16 2kkl s TYR 120 CO 0.49 -0.64 -0.22 0.54 -1.52 0.00 0.00 175.55 174.20 2kkl s VAL 121 N -3.91 1.98 -1.47 -3.49 0.11 -1.23 -4.42 120.40 107.97 2kkl s VAL 121 Ca 0.11 -0.96 -0.11 0.00 -2.93 0.00 0.00 61.98 58.10 2kkl s VAL 121 Cb 0.04 -1.73 0.05 0.00 -1.53 0.00 0.00 36.38 33.21 2kkl s VAL 121 CO -0.05 0.54 0.90 0.59 -3.33 0.00 0.00 175.10 173.74 2kkl n ASN 122 N 3.75 -5.27 -3.63 3.54 5.03 -1.26 -1.29 115.26 116.13 2kkl n ASN 122 Ca -0.20 -0.58 -0.25 0.00 0.87 0.00 0.00 54.58 54.43 2kkl n ASN 122 Cb 0.52 -4.22 0.07 0.00 -1.02 0.00 0.00 39.78 35.14 2kkl n ASN 122 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2kkl n ARG 123 N -4.51 -7.72 -3.36 3.52 0.63 -1.26 -4.96 116.66 99.00 2kkl n ARG 123 Ca 0.00 0.80 -0.22 0.00 -0.92 0.00 0.00 57.85 57.52 2kkl n ARG 123 Cb 0.55 -5.85 -0.09 0.00 0.45 0.00 0.00 32.46 27.53 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 -6.34 0.69 0.25 -0.14 0.41 -0.41 -5.13 118.70 108.04 2kkl s GLU 124 Ca 0.59 -1.29 -0.31 0.00 -0.41 0.00 0.00 54.97 53.55 2kkl s GLU 124 Cb -0.26 -1.00 -0.13 0.00 -1.78 0.00 0.00 34.13 30.95 2kkl s GLU 124 CO 0.74 -1.25 1.41 -2.30 -0.49 0.00 0.00 175.26 173.37 2kkl n PRO 125 N 3.80 2.08 -4.07 0.39 -0.02 -1.26 -3.48 135.00 132.43 2kkl n PRO 125 Ca 0.16 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2kkl n PRO 125 Cb 0.44 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 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 -0.12 0.14 0.21 -1.45 -7.23 -1.26 -4.97 120.40 105.72 2kkl s VAL 126 Ca 0.67 -1.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 2kkl s VAL 126 Cb -0.63 -1.76 0.16 0.00 0.56 0.00 0.00 36.38 34.70 2kkl s VAL 126 CO 0.50 -0.64 1.80 0.44 -0.31 0.00 0.00 175.10 176.89 2kkl h ASP 127 N 2.90 1.06 -5.03 4.85 3.32 -1.94 -3.42 116.42 118.16 2kkl h ASP 127 Ca -0.34 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2kkl h ASP 127 Cb 1.18 -0.27 -0.12 0.00 0.22 0.00 0.00 39.33 40.34 2kkl h ASP 127 CO 0.60 0.91 0.11 -0.94 -1.72 0.00 0.00 179.24 178.19 2kkl s SER 128 N -6.26 -0.41 -0.03 6.45 1.04 -1.26 -4.09 113.70 109.14 2kkl s SER 128 Ca -0.13 -0.20 -0.27 0.00 0.48 0.00 0.00 55.95 55.84 2kkl s SER 128 Cb 0.16 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.90 2kkl s SER 128 CO 0.83 -0.97 0.58 0.00 0.98 0.00 0.00 173.24 174.66 2kkl s ALA 129 N -3.79 -1.51 -0.12 5.32 0.00 -0.99 -5.02 121.76 115.65 2kkl s ALA 129 Ca 0.03 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 2kkl s ALA 129 Cb -0.01 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2kkl s ALA 129 CO -0.10 -0.36 0.34 0.08 0.00 0.00 0.00 175.76 175.72 2kkl s VAL 130 N -1.37 5.25 0.51 0.00 1.01 -1.26 -1.64 120.40 122.89 2kkl s VAL 130 Ca -0.11 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 2kkl s VAL 130 Cb -0.01 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 2kkl s VAL 130 CO 0.07 0.42 1.03 -0.76 0.00 0.00 0.00 175.10 175.86 2kkl s LEU 131 N 0.16 3.76 0.08 3.92 1.43 -0.90 -4.97 118.68 122.17 2kkl s LEU 131 Ca 0.20 1.85 -0.09 0.00 -1.03 0.00 0.00 54.13 55.06 2kkl s LEU 131 Cb -0.14 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.53 2kkl s LEU 131 CO 0.07 -0.82 0.20 0.00 0.23 0.00 0.00 176.35 176.04 2kkl s ALA 132 N -2.16 -0.29 0.22 4.21 0.00 -1.26 -4.77 121.76 117.72 2kkl s ALA 132 Ca 0.65 -0.54 -0.32 0.00 0.00 0.00 0.00 51.96 51.76 2kkl s ALA 132 Cb -0.15 0.47 -0.13 0.00 0.00 0.00 0.00 23.12 23.31 2kkl s ALA 132 CO 0.24 -0.50 1.57 0.27 0.00 0.00 0.00 175.76 177.35 2kkl n ASN 133 N 0.02 3.40 0.00 0.00 6.94 -1.26 -1.41 115.26 122.95 2kkl n ASN 133 Ca -0.16 1.11 0.00 0.00 -0.02 0.00 0.00 54.58 55.51 2kkl n ASN 133 Cb 0.62 -1.50 0.00 0.00 -2.36 0.00 0.00 39.78 36.54 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kkl n GLY 134 N 2.94 0.53 3.83 4.83 0.00 -1.18 -4.97 105.19 111.18 2kkl n GLY 134 Ca 0.13 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.41 6.92 -0.15 1.61 1.11 -0.50 -4.95 116.67 118.30 2kkl s ASP 135 Ca 0.00 1.49 -0.01 0.00 0.18 0.00 0.00 52.55 54.21 2kkl s ASP 135 Cb 0.00 -2.46 -0.01 0.00 1.07 0.00 0.00 42.92 41.52 2kkl s ASP 135 CO 0.00 -0.22 -0.11 -0.70 1.18 0.00 0.00 175.17 175.32 2kkl s GLU 136 N -2.85 3.41 -0.08 8.23 2.12 -1.26 -0.77 118.70 127.50 2kkl s GLU 136 Ca 0.55 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 55.27 2kkl s GLU 136 Cb -0.11 -2.72 -0.00 0.00 0.26 0.00 0.00 34.13 31.55 2kkl s GLU 136 CO 0.17 0.14 -0.22 0.08 -0.54 0.00 0.00 175.26 174.88 2kkl s VAL 137 N 0.55 1.91 -0.19 3.70 1.01 -0.68 -4.49 120.40 122.20 2kkl s VAL 137 Ca -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2kkl s VAL 137 Cb -0.15 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.61 2kkl s VAL 137 CO 0.03 0.53 -0.19 -1.58 0.00 0.00 0.00 175.10 173.90 2kkl s GLN 138 N 0.23 2.87 -0.09 2.72 0.74 -1.26 -2.13 119.66 122.72 2kkl s GLN 138 Ca -0.14 -0.91 0.03 0.00 0.05 0.00 0.00 55.36 54.40 2kkl s GLN 138 Cb -0.16 -2.61 0.01 0.00 1.10 0.00 0.00 33.01 31.34 2kkl s GLN 138 CO 0.07 -0.27 -0.19 0.42 -0.55 0.00 0.00 175.29 174.77 2kkl s ILE 139 N 1.26 1.71 0.00 -2.34 1.01 -1.21 -4.49 121.20 117.15 2kkl s ILE 139 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2kkl s ILE 139 Cb -0.14 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2kkl s ILE 139 CO -0.12 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2kkl n GLY 140 N 3.70 3.53 0.01 6.18 0.00 -1.26 -2.65 105.19 114.70 2kkl n GLY 140 Ca -0.20 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 14.00 0.68 -2.83 1.61 4.81 -1.26 -4.96 118.16 130.21 2kkl n LYS 141 Ca 0.00 -0.11 -0.34 0.00 -0.87 0.00 0.00 58.31 56.98 2kkl n LYS 141 Cb 0.00 -1.43 -0.07 0.00 0.02 0.00 0.00 35.03 33.55 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 -3.12 3.46 -0.12 5.64 0.08 -1.08 -5.05 117.98 117.78 2kkl s PHE 142 Ca -0.02 1.65 -0.04 0.00 0.12 0.00 0.00 56.93 58.64 2kkl s PHE 142 Cb 0.13 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 2kkl s PHE 142 CO 0.79 0.03 0.04 1.03 -0.10 0.00 0.00 175.22 177.00 2kkl s ARG 143 N -2.73 3.32 0.03 0.44 0.52 -1.26 -3.32 118.95 115.95 2kkl s ARG 143 Ca 0.57 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.43 2kkl s ARG 143 Cb -0.13 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 2kkl s ARG 143 CO 0.17 0.60 -0.05 -0.51 0.02 0.00 0.00 175.30 175.53 2kkl s LEU 144 N -0.57 2.26 -0.06 2.53 1.02 -0.91 -1.96 118.68 120.99 2kkl s LEU 144 Ca 0.10 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.74 2kkl s LEU 144 Cb -0.12 0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.10 2kkl s LEU 144 CO 0.02 -0.28 -0.18 0.54 0.02 0.00 0.00 176.35 176.47 2kkl s VAL 145 N -1.59 1.53 -0.31 -1.59 0.11 -0.89 -1.69 120.40 115.97 2kkl s VAL 145 Ca -0.12 -0.74 -0.18 0.00 -2.93 0.00 0.00 61.98 58.01 2kkl s VAL 145 Cb -0.09 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 2kkl s VAL 145 CO -0.01 0.44 0.50 0.12 -3.33 0.00 0.00 175.10 172.82 2kkl s PHE 146 N 0.25 3.22 -0.01 1.54 5.36 0.05 -2.40 117.98 126.00 2kkl s PHE 146 Ca -0.10 0.39 0.04 0.00 -0.96 0.00 0.00 56.93 56.30 2kkl s PHE 146 Cb -0.14 -2.81 -0.01 0.00 -0.34 0.00 0.00 43.02 39.71 2kkl s PHE 146 CO 0.04 -0.41 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.74 2kkl s LEU 147 N 2.34 2.02 0.37 6.12 1.43 -1.10 -2.24 118.68 127.62 2kkl s LEU 147 Ca 0.19 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 2kkl s LEU 147 Cb -0.15 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 2kkl s LEU 147 CO 0.11 0.17 0.51 0.42 0.23 0.00 0.00 176.35 177.79 2kkl s THR 148 N -0.31 3.67 -0.98 5.49 -4.23 -1.26 -2.62 115.64 115.40 2kkl s THR 148 Ca 0.05 -1.00 -0.26 0.00 -1.18 0.00 0.00 61.69 59.30 2kkl s THR 148 Cb -0.06 -3.25 -0.21 0.00 1.34 0.00 0.00 72.50 70.32 2kkl s THR 148 CO -0.00 -0.10 2.21 0.61 -0.54 0.00 0.00 174.62 176.80 2kkl n GLY 149 N -1.72 -0.37 7.00 3.99 0.00 -1.19 -4.79 105.19 108.12 2kkl n GLY 149 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 19.52 -0.50 -2.05 1.61 -0.00 -1.26 -4.50 115.22 128.04 2kkl n HIS 150 Ca 0.43 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.73 2kkl n HIS 150 Cb 0.46 0.08 -0.02 0.00 -0.00 0.00 0.00 29.99 30.50 2kkl n HIS 150 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2kkl s LYS 151 N 0.00 4.29 0.17 -0.41 1.02 -1.26 -4.99 119.74 118.56 2kkl s LYS 151 Ca 0.00 2.26 -0.23 0.00 0.02 0.00 0.00 55.97 58.02 2kkl s LYS 151 Cb 0.00 -3.12 -0.08 0.00 -0.52 0.00 0.00 37.83 34.11 2kkl s LYS 151 CO 0.00 -0.38 0.72 1.14 -0.92 0.00 0.00 175.35 175.91 2kkl s GLN 152 N -0.42 4.41 -0.40 1.68 -2.07 -1.26 -4.97 119.66 116.62 2kkl s GLN 152 Ca 0.58 1.00 0.09 0.00 -1.82 0.00 0.00 55.36 55.21 2kkl s GLN 152 Cb -0.41 -3.14 0.38 0.00 -1.09 0.00 0.00 33.01 28.75 2kkl s GLN 152 CO 0.43 0.53 1.28 0.41 -1.32 0.00 0.00 175.29 176.62 2kkl n GLY 153 N 1.36 1.27 3.72 2.60 0.00 -1.26 -5.12 105.19 107.76 2kkl n GLY 153 Ca -0.06 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.10 4.30 -0.26 1.61 2.02 -1.26 -4.99 118.70 120.02 2kkl s GLU 154 Ca 0.23 2.17 -0.01 0.00 0.02 0.00 0.00 54.97 57.38 2kkl s GLU 154 Cb 0.39 -3.20 0.14 0.00 0.10 0.00 0.00 34.13 31.56 2kkl s GLU 154 CO -0.07 -0.46 0.38 0.34 0.02 0.00 0.00 175.26 175.47 2kkl s ASP 155 N 0.94 0.40 -0.14 -0.19 -1.08 -1.26 -5.13 116.67 110.20 2kkl s ASP 155 Ca 0.64 -0.03 -0.20 0.00 -0.52 0.00 0.00 52.55 52.44 2kkl s ASP 155 Cb -0.39 1.06 -0.04 0.00 -1.46 0.00 0.00 42.92 42.10 2kkl s ASP 155 CO 0.33 -0.32 0.55 -0.76 0.52 0.00 0.00 175.17 175.49 2kkl s LEU 156 N 2.53 4.23 0.06 -1.34 1.43 -1.26 -5.04 118.68 119.29 2kkl s LEU 156 Ca 0.11 0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 53.77 2kkl s LEU 156 Cb -0.14 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2kkl s LEU 156 CO -0.21 -0.11 1.09 -1.61 0.23 0.00 0.00 176.35 175.74 2kkl s GLU 157 N 1.11 4.52 -0.28 1.70 0.41 -1.26 -5.01 118.70 119.88 2kkl s GLU 157 Ca 0.28 1.61 -0.20 0.00 -0.41 0.00 0.00 54.97 56.26 2kkl s GLU 157 Cb -0.16 -3.38 0.11 0.00 -1.78 0.00 0.00 34.13 28.93 2kkl s GLU 157 CO 0.12 -0.10 0.89 -1.58 -0.49 0.00 0.00 175.26 174.10 2kkl s HIS 158 N 0.78 -0.69 0.33 1.61 5.65 -1.26 -5.07 115.29 116.63 2kkl s HIS 158 Ca 0.54 1.48 0.00 0.00 0.25 0.00 0.00 55.06 57.33 2kkl s HIS 158 Cb -0.26 0.41 0.00 0.00 -1.18 0.00 0.00 32.58 31.55 2kkl s HIS 158 CO 0.30 -0.34 0.00 0.72 -0.65 0.00 0.00 174.74 174.77 2kkl n HIS 159 N 3.33 -3.93 0.00 3.88 8.25 -1.26 -5.06 115.22 120.42 2kkl n HIS 159 Ca -0.17 1.10 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 2kkl n HIS 159 Cb 0.57 2.85 0.00 0.00 1.12 0.00 0.00 29.99 34.53 2kkl n HIS 159 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kkl n HIS 160 N -3.18 0.00 -3.27 4.41 -0.00 -1.26 -4.81 115.22 107.12 2kkl n HIS 160 Ca 0.00 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 2kkl n HIS 160 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 2kkl n HIS 160 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkl n HIS 161 N 0.00 -1.62 -2.35 1.57 -0.00 -1.26 -4.84 115.22 106.72 2kkl n HIS 161 Ca 0.00 0.68 -0.39 0.00 -0.00 0.00 0.00 57.72 58.01 2kkl n HIS 161 Cb 0.00 -1.72 -0.03 0.00 -0.00 0.00 0.00 29.99 28.24 2kkl n HIS 161 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kkl s HIS 162 N -1.33 3.23 0.00 1.57 -3.43 -1.26 -5.33 115.29 108.73 2kkl s HIS 162 Ca 0.18 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 56.02 2kkl s HIS 162 Cb -0.02 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.76 2kkl s HIS 162 CO 0.47 -1.09 0.00 -2.39 -2.00 0.00 0.00 174.74 169.72