#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 -3.39 1.45 7.35 -1.26 -3.98 117.46 117.63 2kkl n PHE 25 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 2kkl n PHE 25 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 2kkl n PHE 25 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2kkl s ARG 26 N 0.00 0.32 1.34 -4.13 3.52 -1.26 -5.11 118.95 113.62 2kkl s ARG 26 Ca 0.00 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 2kkl s ARG 26 Cb 0.00 -0.67 0.00 0.00 -1.56 0.00 0.00 34.95 32.72 2kkl s ARG 26 CO 0.00 -0.81 0.00 0.00 -0.81 0.00 0.00 175.30 173.68 2kkl n ALA 27 N 5.34 0.00 0.00 6.12 0.00 -1.26 -3.88 120.51 126.83 2kkl n ALA 27 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kkl n ALA 27 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.09 1.22 -0.09 0.00 8.00 -1.26 -3.41 116.55 117.91 2kkl n ASP 28 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2kkl n ASP 28 Cb 0.00 0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2kkl n PHE 29 N -0.88 0.00 1.21 1.24 -1.74 -1.26 -3.93 117.46 112.09 2kkl n PHE 29 Ca 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.02 2kkl n PHE 29 Cb 0.12 -0.06 0.29 0.00 1.52 0.00 0.00 39.48 41.36 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 -1.24 1.42 -4.76 5.98 4.77 -1.26 -4.92 117.00 116.99 2kkl n LEU 30 Ca 0.05 -0.45 -0.38 0.00 -0.03 0.00 0.00 56.01 55.21 2kkl n LEU 30 Cb 0.35 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2kkl n LEU 30 CO 0.38 0.26 0.89 -0.55 -1.33 0.00 0.00 177.39 177.04 2kkl s SER 31 N -2.41 5.86 -0.30 -1.43 0.15 -1.25 -5.01 113.70 109.31 2kkl s SER 31 Ca 0.25 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.39 2kkl s SER 31 Cb 0.19 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 62.03 2kkl s SER 31 CO 0.50 -1.15 0.32 -0.70 1.20 0.00 0.00 173.24 173.41 2kkl s GLU 32 N -2.75 0.39 0.49 5.44 2.56 -1.26 -5.09 118.70 118.48 2kkl s GLU 32 Ca 0.66 -0.22 -0.20 0.00 0.00 0.00 0.00 54.97 55.20 2kkl s GLU 32 Cb -0.33 -0.62 -0.08 0.00 2.00 0.00 0.00 34.13 35.10 2kkl s GLU 32 CO 0.40 -1.06 1.05 -0.51 -0.56 0.00 0.00 175.26 174.59 2kkl s LEU 33 N 2.24 3.84 -0.35 2.70 1.43 -1.26 -4.38 118.68 122.89 2kkl s LEU 33 Ca 0.11 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 2kkl s LEU 33 Cb -0.14 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.54 2kkl s LEU 33 CO -0.28 -0.84 0.47 -0.67 0.23 0.00 0.00 176.35 175.26 2kkl n ASP 34 N -0.99 -6.64 -4.31 2.29 2.03 -1.26 -4.95 116.55 102.72 2kkl n ASP 34 Ca 0.10 0.38 -0.33 0.00 0.52 0.00 0.00 54.79 55.46 2kkl n ASP 34 Cb 0.52 -4.43 0.15 0.00 -0.72 0.00 0.00 41.12 36.64 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kkl n ALA 35 N -0.44 -3.67 1.12 -1.67 0.00 -1.26 -4.84 120.51 109.74 2kkl n ALA 35 Ca 0.09 -1.02 0.12 0.00 0.00 0.00 0.00 53.44 52.62 2kkl n ALA 35 Cb 0.37 -1.59 0.60 0.00 0.00 0.00 0.00 19.45 18.83 2kkl n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kkl n PRO 36 N -1.66 0.31 -3.62 0.00 -0.04 -1.26 -4.74 135.00 123.99 2kkl n PRO 36 Ca 0.03 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 2kkl n PRO 36 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2kkl n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kkl s ALA 37 N -2.61 -2.20 0.00 0.55 0.00 -1.26 -4.84 121.76 111.39 2kkl s ALA 37 Ca 0.22 2.26 0.00 0.00 0.00 0.00 0.00 51.96 54.44 2kkl s ALA 37 Cb 0.16 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2kkl s ALA 37 CO 0.38 -0.46 0.16 0.94 0.00 0.00 0.00 175.76 176.78 2kkl n GLN 38 N 4.11 0.00 0.00 0.00 7.27 -1.26 -3.59 117.38 123.90 2kkl n GLN 38 Ca -0.18 0.05 0.03 0.00 0.07 0.00 0.00 57.00 56.97 2kkl n GLN 38 Cb 0.57 -0.69 0.16 0.00 2.41 0.00 0.00 30.24 32.69 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kkl n ALA 39 N -0.65 1.73 -2.35 1.69 0.00 -1.26 -4.79 120.51 114.89 2kkl n ALA 39 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 2kkl n ALA 39 Cb 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.57 -0.04 0.56 0.00 0.00 -1.24 -4.94 105.19 98.96 2kkl n GLY 40 Ca 0.04 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.32 0.00 -1.64 2.61 -2.24 -1.26 -4.95 114.28 104.48 2kkl n THR 41 Ca -0.04 -0.29 -0.44 0.00 -2.27 0.00 0.00 64.05 61.01 2kkl n THR 41 Cb 0.56 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.25 1.71 -2.08 -0.78 0.28 -1.26 -4.89 120.64 113.88 2kkl n GLU 42 Ca 0.14 0.60 -0.39 0.00 -0.16 0.00 0.00 57.16 57.35 2kkl n GLU 42 Cb 0.45 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.25 2kkl n GLU 42 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kkl s SER 43 N -0.44 6.13 0.00 -1.84 0.15 -1.26 -4.90 113.70 111.53 2kkl s SER 43 Ca 0.57 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.79 2kkl s SER 43 Cb -0.64 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.04 2kkl s SER 43 CO 0.61 -0.96 0.45 0.00 1.20 0.00 0.00 173.24 174.54 2kkl n ALA 44 N -0.19 1.45 -0.15 5.45 0.00 -1.26 -4.91 120.51 120.90 2kkl n ALA 44 Ca 0.06 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 2kkl n ALA 44 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 2kkl n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkl h VAL 45 N 4.32 1.25 -3.96 0.00 2.07 -2.01 -3.43 116.25 114.49 2kkl h VAL 45 Ca 0.00 -0.94 -0.54 0.00 0.82 0.00 0.00 66.70 66.05 2kkl h VAL 45 Cb 1.08 1.01 0.10 0.00 -1.52 0.00 0.00 31.29 31.97 2kkl h VAL 45 CO 0.00 0.32 0.70 -0.44 0.02 0.00 0.00 177.57 178.18 2kkl s SER 46 N -6.17 6.16 0.00 0.57 0.01 -1.26 -4.91 113.70 108.10 2kkl s SER 46 Ca -0.13 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.02 2kkl s SER 46 Cb 0.11 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kkl s SER 46 CO 0.79 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2kkl n GLY 47 N 0.58 1.53 3.28 3.44 0.00 -1.26 -5.11 105.19 107.65 2kkl n GLY 47 Ca 0.03 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.73 2.44 0.38 1.61 1.01 -1.26 -5.11 120.40 117.73 2kkl s VAL 48 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 2kkl s VAL 48 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 34.31 2kkl s VAL 48 CO 0.00 0.55 0.98 -0.70 0.00 0.00 0.00 175.10 175.93 2kkl s GLU 49 N 0.29 4.34 7.93 2.72 2.12 -1.26 -4.69 118.70 130.15 2kkl s GLU 49 Ca -0.15 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.51 2kkl s GLU 49 Cb -0.17 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.69 2kkl s GLU 49 CO 0.07 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 2kkl n GLY 50 N 0.15 2.39 1.51 -1.50 0.00 -1.26 -4.92 105.19 101.56 2kkl n GLY 50 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 2kkl n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kkl n LEU 51 N 0.00 -2.27 -0.29 0.99 -0.00 -1.26 -4.16 117.00 110.01 2kkl n LEU 51 Ca 0.00 -0.09 0.08 0.00 -0.00 0.00 0.00 56.01 56.00 2kkl n LEU 51 Cb 0.00 -0.88 0.23 0.00 -0.00 0.00 0.00 43.42 42.77 2kkl n LEU 51 CO 0.00 0.07 1.08 -0.65 -0.00 0.00 0.00 177.39 177.89 2kkl h PRO 52 N -0.32 0.54 -6.87 1.96 0.11 -1.91 -3.40 132.00 122.11 2kkl h PRO 52 Ca -0.09 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.43 2kkl h PRO 52 Cb 1.05 -0.12 0.14 0.00 0.11 0.00 0.00 31.00 32.18 2kkl h PRO 52 CO 0.08 0.36 0.39 -2.30 -0.21 0.00 0.00 178.00 176.31 2kkl n PRO 53 N -4.92 1.51 0.00 1.05 -0.02 -1.26 -4.82 135.00 126.54 2kkl n PRO 53 Ca 0.17 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2kkl n PRO 53 Cb 0.47 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2kkl n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kkl n GLY 54 N 0.97 1.35 3.93 -1.23 0.00 -1.26 -4.80 105.19 104.15 2kkl n GLY 54 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 4.11 0.29 0.99 1.02 -1.26 -5.11 118.68 118.72 2kkl s LEU 55 Ca 0.00 0.47 0.05 0.00 0.02 0.00 0.00 54.13 54.67 2kkl s LEU 55 Cb 0.00 -3.28 -0.06 0.00 0.02 0.00 0.00 46.19 42.87 2kkl s LEU 55 CO 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 176.35 176.19 2kkl s ALA 56 N -2.10 2.30 0.08 4.21 0.00 -1.26 -4.62 121.76 120.36 2kkl s ALA 56 Ca 0.40 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 50.41 2kkl s ALA 56 Cb -0.10 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2kkl s ALA 56 CO 0.32 -0.19 -0.05 -0.48 0.00 0.00 0.00 175.76 175.36 2kkl s LEU 57 N -3.45 2.49 -0.09 0.00 0.05 -1.08 -2.40 118.68 114.20 2kkl s LEU 57 Ca 0.32 -0.99 0.01 0.00 0.05 0.00 0.00 54.13 53.52 2kkl s LEU 57 Cb 0.06 0.03 -0.02 0.00 -2.05 0.00 0.00 46.19 44.20 2kkl s LEU 57 CO 0.13 -0.51 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.56 2kkl s LEU 58 N -2.95 2.93 -0.03 1.48 1.43 -0.78 -2.74 118.68 118.01 2kkl s LEU 58 Ca 0.09 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2kkl s LEU 58 Cb 0.06 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2kkl s LEU 58 CO -0.07 0.27 -0.21 0.54 0.23 0.00 0.00 176.35 177.11 2kkl s VAL 59 N -0.26 1.70 0.13 -1.59 0.11 -1.14 -1.53 120.40 117.82 2kkl s VAL 59 Ca 0.03 -0.90 -0.31 0.00 -2.93 0.00 0.00 61.98 57.87 2kkl s VAL 59 Cb -0.13 -1.44 -0.08 0.00 -1.53 0.00 0.00 36.38 33.21 2kkl s VAL 59 CO 0.03 0.48 1.32 -0.69 -3.33 0.00 0.00 175.10 172.91 2kkl s VAL 60 N -0.26 3.44 -0.16 2.04 1.01 -0.95 -2.09 120.40 123.43 2kkl s VAL 60 Ca 0.02 1.08 0.12 0.00 0.00 0.00 0.00 61.98 63.19 2kkl s VAL 60 Cb -0.11 -3.69 -0.23 0.00 0.00 0.00 0.00 36.38 32.35 2kkl s VAL 60 CO 0.01 0.11 0.22 1.17 0.00 0.00 0.00 175.10 176.60 2kkl n LYS 61 N 3.55 0.67 -4.19 2.72 4.81 -0.10 -3.68 118.16 121.95 2kkl n LYS 61 Ca 0.09 0.13 -0.15 0.00 -0.87 0.00 0.00 58.31 57.51 2kkl n LYS 61 Cb 0.43 -1.61 -0.11 0.00 0.02 0.00 0.00 35.03 33.76 2kkl n LYS 61 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2kkl s ARG 62 N -2.53 0.89 0.00 1.64 1.81 -1.24 -4.95 118.95 114.56 2kkl s ARG 62 Ca -0.14 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 2kkl s ARG 62 Cb 0.07 -0.61 0.00 0.00 -0.45 0.00 0.00 34.95 33.96 2kkl s ARG 62 CO 0.79 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.92 2kkl n GLY 63 N 0.53 2.66 0.16 -3.53 0.00 -1.26 -3.69 105.19 100.05 2kkl n GLY 63 Ca -0.16 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 43.96 2kkl n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl h PRO 64 N 0.00 0.00 -0.57 1.61 0.13 -1.99 -2.01 132.00 129.17 2kkl h PRO 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkl h PRO 64 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 64 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2kkl n ASN 65 N -2.39 2.99 -4.57 1.44 3.02 -1.26 -4.96 115.26 109.53 2kkl n ASN 65 Ca 0.01 -2.22 -0.48 0.00 -0.03 0.00 0.00 54.58 51.86 2kkl n ASN 65 Cb 0.22 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kkl n ALA 66 N 0.65 -0.84 0.00 5.41 0.00 -0.76 -1.45 120.51 123.52 2kkl n ALA 66 Ca 0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2kkl n ALA 66 Cb 0.56 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 1.92 2.81 3.76 0.00 0.00 -1.24 -5.03 105.19 107.42 2kkl n GLY 67 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 6.08 0.02 1.61 0.15 -0.53 -4.85 113.70 114.87 2kkl s SER 68 Ca 0.00 2.59 0.01 0.00 0.70 0.00 0.00 55.95 59.25 2kkl s SER 68 Cb 0.00 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2kkl s SER 68 CO 0.00 -1.01 -0.04 0.00 1.20 0.00 0.00 173.24 173.39 2kkl s ARG 69 N -2.48 0.34 -0.02 5.44 1.70 -1.26 -2.23 118.95 120.44 2kkl s ARG 69 Ca 0.61 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 55.33 2kkl s ARG 69 Cb -0.36 -0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 33.99 2kkl s ARG 69 CO 0.45 -0.01 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.48 2kkl s PHE 70 N -1.26 1.20 -0.20 5.89 0.08 -0.58 -4.96 117.98 118.15 2kkl s PHE 70 Ca -0.12 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 2kkl s PHE 70 Cb -0.09 -0.81 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2kkl s PHE 70 CO -0.01 -0.08 0.19 -1.17 -0.10 0.00 0.00 175.22 174.05 2kkl s LEU 71 N -0.03 4.20 -1.26 -0.37 2.96 -1.26 -1.86 118.68 121.06 2kkl s LEU 71 Ca -0.00 0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 54.05 2kkl s LEU 71 Cb -0.08 -2.18 0.13 0.00 0.50 0.00 0.00 46.19 44.56 2kkl s LEU 71 CO 0.00 0.13 1.60 0.18 -1.32 0.00 0.00 176.35 176.95 2kkl n LEU 72 N 3.72 5.29 -1.30 -0.68 4.77 -1.01 -4.67 117.00 123.12 2kkl n LEU 72 Ca -0.14 -4.28 0.11 0.00 -0.03 0.00 0.00 56.01 51.66 2kkl n LEU 72 Cb 0.52 -1.66 0.31 0.00 -2.33 0.00 0.00 43.42 40.26 2kkl n LEU 72 CO 0.38 0.59 0.76 -0.90 -1.33 0.00 0.00 177.39 176.89 2kkl n ASP 73 N 6.47 3.79 -4.27 -1.43 5.68 -1.26 -4.67 116.55 120.86 2kkl n ASP 73 Ca 0.42 -2.08 -0.24 0.00 -0.50 0.00 0.00 54.79 52.39 2kkl n ASP 73 Cb 0.43 -0.47 -0.13 0.00 -1.14 0.00 0.00 41.12 39.81 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2kkl s GLN 74 N -1.23 1.19 0.22 0.11 2.00 -1.26 -5.04 119.66 115.66 2kkl s GLN 74 Ca 0.46 -1.09 -0.07 0.00 -2.00 0.00 0.00 55.36 52.66 2kkl s GLN 74 Cb 0.25 -1.41 0.18 0.00 0.80 0.00 0.00 33.01 32.83 2kkl s GLN 74 CO 0.29 0.34 1.81 0.00 -0.50 0.00 0.00 175.29 177.23 2kkl h ALA 75 N 4.32 1.09 -3.27 1.58 0.00 -1.96 -3.41 119.26 117.61 2kkl h ALA 75 Ca -0.45 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 53.67 2kkl h ALA 75 Cb 1.17 -0.33 -0.34 0.00 0.00 0.00 0.00 17.79 18.29 2kkl h ALA 75 CO 0.41 0.67 -0.85 0.42 0.00 0.00 0.00 179.25 179.90 2kkl s ILE 76 N -5.65 1.68 -0.16 0.00 1.01 -1.26 -0.14 121.20 116.69 2kkl s ILE 76 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2kkl s ILE 76 Cb 0.16 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 41.15 2kkl s ILE 76 CO 0.84 0.48 -0.15 -0.89 0.00 0.00 0.00 174.94 175.22 2kkl s THR 77 N 0.85 1.65 0.45 2.92 2.01 -0.90 -4.96 115.64 117.65 2kkl s THR 77 Ca -0.09 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 2kkl s THR 77 Cb -0.15 -1.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.73 2kkl s THR 77 CO -0.00 0.44 0.88 -0.44 -0.69 0.00 0.00 174.62 174.81 2kkl s SER 78 N 1.45 6.62 0.52 3.53 0.01 -1.26 -1.31 113.70 123.26 2kkl s SER 78 Ca 0.04 1.39 0.06 0.00 1.31 0.00 0.00 55.95 58.75 2kkl s SER 78 Cb -0.13 -2.43 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2kkl s SER 78 CO -0.11 -0.47 0.37 0.00 0.41 0.00 0.00 173.24 173.45 2kkl s ALA 79 N -2.44 4.33 0.00 1.44 0.00 -0.85 -4.22 121.76 120.01 2kkl s ALA 79 Ca 0.56 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2kkl s ALA 79 Cb -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2kkl s ALA 79 CO 0.29 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2kkl n GLY 80 N -1.69 2.08 3.62 0.00 0.00 -1.26 -4.44 105.19 103.50 2kkl n GLY 80 Ca -0.02 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 4.01 -0.32 1.61 0.52 -1.17 -0.06 118.95 123.55 2kkl s ARG 81 Ca 0.00 -0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 2kkl s ARG 81 Cb 0.00 -3.61 0.19 0.00 0.52 0.00 0.00 34.95 32.05 2kkl s ARG 81 CO 0.00 -0.10 1.01 -1.58 0.02 0.00 0.00 175.30 174.65 2kkl s HIS 82 N 1.54 -0.53 0.63 -0.53 2.46 -1.26 -4.76 115.29 112.84 2kkl s HIS 82 Ca 0.09 0.19 -0.18 0.00 0.47 0.00 0.00 55.06 55.63 2kkl s HIS 82 Cb -0.15 0.09 -0.04 0.00 -0.13 0.00 0.00 32.58 32.35 2kkl s HIS 82 CO 0.08 -0.33 0.84 -2.30 -2.47 0.00 0.00 174.74 170.56 2kkl n PRO 83 N 4.40 0.69 0.00 2.88 -0.02 -1.26 -2.02 135.00 139.66 2kkl n PRO 83 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2kkl n PRO 83 Cb 0.60 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.67 0.00 -4.79 2.55 8.00 -1.26 -4.97 116.55 115.41 2kkl n ASP 84 Ca 0.13 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 2kkl n ASP 84 Cb 0.48 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.24 6.51 0.12 -2.24 0.01 -0.86 -4.96 113.70 111.04 2kkl s SER 85 Ca 0.00 2.00 -0.18 0.00 1.31 0.00 0.00 55.95 59.08 2kkl s SER 85 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2kkl s SER 85 CO 0.00 -0.67 1.67 -0.78 0.41 0.00 0.00 173.24 173.87 2kkl h ASP 86 N 2.00 0.41 -3.59 2.44 3.58 -1.87 -3.38 116.42 116.01 2kkl h ASP 86 Ca -0.49 -0.15 -0.70 0.00 0.42 0.00 0.00 57.03 56.11 2kkl h ASP 86 Cb 1.22 -0.11 -0.21 0.00 1.72 0.00 0.00 39.33 41.95 2kkl h ASP 86 CO 0.60 0.45 -0.47 -0.63 -2.88 0.00 0.00 179.24 176.32 2kkl s ILE 87 N -5.61 5.12 -0.43 2.25 1.01 -1.26 -4.86 121.20 117.42 2kkl s ILE 87 Ca -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2kkl s ILE 87 Cb 0.09 -3.77 0.14 0.00 0.01 0.00 0.00 42.46 38.92 2kkl s ILE 87 CO 0.73 -0.18 0.23 0.72 0.00 0.00 0.00 174.94 176.44 2kkl s PHE 88 N 1.67 1.83 -0.86 3.97 -0.71 -1.26 -4.32 117.98 118.29 2kkl s PHE 88 Ca 0.05 -2.32 -0.24 0.00 -1.04 0.00 0.00 56.93 53.38 2kkl s PHE 88 Cb -0.18 -1.77 0.06 0.00 -1.21 0.00 0.00 43.02 39.91 2kkl s PHE 88 CO 0.09 -0.79 1.28 -0.51 -1.34 0.00 0.00 175.22 173.96 2kkl s LEU 89 N 0.47 3.70 -0.70 -1.99 1.43 0.91 -4.94 118.68 117.55 2kkl s LEU 89 Ca 0.17 -1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 51.94 2kkl s LEU 89 Cb -0.24 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.52 2kkl s LEU 89 CO 0.00 -1.56 1.03 -0.62 0.23 0.00 0.00 176.35 175.43 2kkl s ASP 90 N 4.19 6.22 0.31 2.29 2.15 -1.26 -4.25 116.67 126.32 2kkl s ASP 90 Ca 0.37 -1.02 -0.18 0.00 0.43 0.00 0.00 52.55 52.15 2kkl s ASP 90 Cb -0.06 -2.44 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2kkl s ASP 90 CO 0.02 -1.46 0.70 -1.81 -0.17 0.00 0.00 175.17 172.44 2kkl s ASP 91 N 3.72 -0.11 0.14 -0.34 1.01 -1.26 -5.05 116.67 114.79 2kkl s ASP 91 Ca 0.25 -0.85 -0.15 0.00 0.71 0.00 0.00 52.55 52.51 2kkl s ASP 91 Cb -0.14 0.74 0.02 0.00 1.01 0.00 0.00 42.92 44.54 2kkl s ASP 91 CO 0.09 -1.42 1.71 0.58 0.21 0.00 0.00 175.17 176.34 2kkl h VAL 92 N 2.04 1.19 -2.10 -1.27 2.07 -2.05 -3.44 116.25 112.70 2kkl h VAL 92 Ca -0.24 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2kkl h VAL 92 Cb 1.25 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2kkl h VAL 92 CO 0.30 0.21 0.04 0.35 0.02 0.00 0.00 177.57 178.50 2kkl n THR 93 N -4.63 0.00 -2.04 2.57 -2.24 -1.26 -4.89 114.28 101.78 2kkl n THR 93 Ca 0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2kkl n THR 93 Cb 0.13 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 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 -2.28-12.51 -1.16 2.28 0.31 -1.26 -4.96 118.33 98.75 2kkl n VAL 94 Ca 0.02 3.03 -0.29 0.00 -0.01 0.00 0.00 64.34 67.09 2kkl n VAL 94 Cb 0.06 -5.48 0.19 0.00 -0.91 0.00 0.00 33.84 27.70 2kkl n VAL 94 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2kkl s SER 95 N -0.50 2.36 0.45 4.52 1.04 -1.26 -4.80 113.70 115.51 2kkl s SER 95 Ca 0.00 1.10 0.12 0.00 0.48 0.00 0.00 55.95 57.66 2kkl s SER 95 Cb 0.00 -1.73 1.03 0.00 0.10 0.00 0.00 66.02 65.42 2kkl s SER 95 CO 0.00 -3.29 2.04 0.08 0.98 0.00 0.00 173.24 173.05 2kkl h ARG 96 N -2.00 0.36 -1.93 4.02 0.11 -1.90 -3.18 114.38 109.86 2kkl h ARG 96 Ca -0.54 -0.02 -0.47 0.00 0.10 0.00 0.00 59.98 59.04 2kkl h ARG 96 Cb 1.33 -0.08 -0.39 0.00 1.11 0.00 0.00 29.97 31.94 2kkl h ARG 96 CO 0.56 0.24 -1.18 0.54 0.10 0.00 0.00 179.97 180.23 2kkl n ARG 97 N -4.48 0.97 -0.28 0.08 1.74 -1.26 -3.06 116.66 110.38 2kkl n ARG 97 Ca 0.05 -3.34 -0.06 0.00 -0.77 0.00 0.00 57.85 53.73 2kkl n ARG 97 Cb 0.22 -1.68 0.06 0.00 -1.02 0.00 0.00 32.46 30.04 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 3.00 1.20 -3.26 -1.55 2.76 -1.79 -3.42 115.15 112.09 2kkl h HIS 98 Ca 0.09 -0.10 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 2kkl h HIS 98 Cb 0.98 -0.36 -0.16 0.00 1.55 0.00 0.00 27.41 29.42 2kkl h HIS 98 CO 0.46 0.92 -0.18 0.00 -1.30 0.00 0.00 177.93 177.83 2kkl s ALA 99 N -5.50 -0.80 -0.00 5.26 0.00 -1.26 -4.06 121.76 115.40 2kkl s ALA 99 Ca -0.12 0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2kkl s ALA 99 Cb 0.15 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2kkl s ALA 99 CO 0.84 -0.47 -0.04 -2.00 0.00 0.00 0.00 175.76 174.09 2kkl s GLU 100 N -2.82 0.32 0.02 0.00 2.12 -0.20 -2.02 118.70 116.13 2kkl s GLU 100 Ca -0.03 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.13 2kkl s GLU 100 Cb 0.00 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 2kkl s GLU 100 CO -0.05 0.08 0.11 -0.06 -0.54 0.00 0.00 175.26 174.80 2kkl s PHE 101 N -0.17 3.32 0.03 5.30 0.40 -0.43 -0.43 117.98 126.01 2kkl s PHE 101 Ca 0.01 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 2kkl s PHE 101 Cb -0.02 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2kkl s PHE 101 CO -0.00 0.56 -0.07 1.03 0.70 0.00 0.00 175.22 177.44 2kkl s ARG 102 N -1.97 0.49 -0.21 0.44 0.52 -0.99 -2.12 118.95 115.11 2kkl s ARG 102 Ca 0.26 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.79 2kkl s ARG 102 Cb -0.12 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 2kkl s ARG 102 CO 0.17 0.06 0.11 -1.17 0.02 0.00 0.00 175.30 174.50 2kkl s LEU 103 N -1.17 3.96 -0.15 2.53 2.96 0.80 -2.08 118.68 125.53 2kkl s LEU 103 Ca -0.07 0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.69 2kkl s LEU 103 Cb -0.08 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.64 2kkl s LEU 103 CO 0.00 0.12 0.61 -0.70 -1.32 0.00 0.00 176.35 175.05 2kkl s GLU 104 N 0.73 0.83 -1.46 1.98 2.12 -0.64 -4.91 118.70 117.35 2kkl s GLU 104 Ca 0.06 0.55 -0.06 0.00 0.36 0.00 0.00 54.97 55.87 2kkl s GLU 104 Cb -0.13 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.68 2kkl s GLU 104 CO 0.02 -0.18 0.55 0.09 -0.54 0.00 0.00 175.26 175.20 2kkl n ASN 105 N 1.98 -5.32 -2.66 -1.70 3.02 -1.26 -0.86 115.26 108.45 2kkl n ASN 105 Ca -0.16 -0.31 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 2kkl n ASN 105 Cb 0.56 -4.33 0.01 0.00 -0.61 0.00 0.00 39.78 35.41 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 -2.43 -5.59 -3.86 6.41 2.85 -1.26 -4.97 115.26 106.40 2kkl n ASN 106 Ca -0.08 -0.10 -0.12 0.00 -0.11 0.00 0.00 54.58 54.17 2kkl n ASN 106 Cb 0.60 -4.62 -0.12 0.00 1.24 0.00 0.00 39.78 36.88 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 -5.32 0.20 0.18 1.20 2.02 -0.03 -5.15 118.70 111.80 2kkl s GLU 107 Ca 0.12 -0.06 -0.09 0.00 0.02 0.00 0.00 54.97 54.96 2kkl s GLU 107 Cb -0.06 0.09 -0.07 0.00 0.10 0.00 0.00 34.13 34.20 2kkl s GLU 107 CO 0.15 -0.04 0.49 -0.06 0.02 0.00 0.00 175.26 175.82 2kkl s PHE 108 N -0.41 3.47 0.23 1.61 0.08 -1.26 -1.61 117.98 120.08 2kkl s PHE 108 Ca -0.05 0.79 -0.04 0.00 0.12 0.00 0.00 56.93 57.75 2kkl s PHE 108 Cb -0.03 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2kkl s PHE 108 CO 0.00 0.35 0.26 0.54 -0.10 0.00 0.00 175.22 176.28 2kkl s ASN 109 N -2.28 0.17 -0.07 1.36 2.20 -0.89 -1.64 114.94 113.80 2kkl s ASN 109 Ca 0.43 -1.26 0.03 0.00 -0.94 0.00 0.00 52.86 51.12 2kkl s ASN 109 Cb -0.12 0.47 0.01 0.00 -2.00 0.00 0.00 41.25 39.60 2kkl s ASN 109 CO 0.22 -0.97 -0.16 0.54 -2.94 0.00 0.00 177.10 173.79 2kkl s VAL 110 N -4.04 1.45 -0.07 3.54 0.11 -0.13 -2.35 120.40 118.91 2kkl s VAL 110 Ca 0.33 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.74 2kkl s VAL 110 Cb 0.04 -1.28 0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2kkl s VAL 110 CO 0.12 0.42 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.48 2kkl s VAL 111 N 0.45 1.32 -0.19 2.04 1.01 0.43 -2.11 120.40 123.35 2kkl s VAL 111 Ca -0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2kkl s VAL 111 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2kkl s VAL 111 CO 0.05 0.40 0.08 -0.62 0.00 0.00 0.00 175.10 175.00 2kkl s ASP 112 N 0.55 5.66 -0.00 3.32 -1.08 -1.19 -1.03 116.67 122.89 2kkl s ASP 112 Ca -0.14 0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.08 2kkl s ASP 112 Cb -0.16 -1.98 0.39 0.00 -1.46 0.00 0.00 42.92 39.71 2kkl s ASP 112 CO 0.05 0.14 1.32 1.33 0.52 0.00 0.00 175.17 178.53 2kkl n VAL 113 N 3.73 0.61 -1.96 1.11 0.24 -1.26 -4.87 118.33 115.94 2kkl n VAL 113 Ca -0.16 -0.59 -0.37 0.00 -2.04 0.00 0.00 64.34 61.18 2kkl n VAL 113 Cb 0.52 0.27 0.03 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.98 2.80 0.00 7.63 0.00 -1.26 -5.01 107.32 110.50 2kkl s GLY 114 Ca 0.29 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.12 2kkl s GLY 114 CO 0.20 1.54 0.00 1.44 0.00 0.00 0.00 173.10 176.28 2kkl n SER 115 N -1.33 0.00 -0.04 1.64 7.64 -1.26 -4.65 113.62 115.62 2kkl n SER 115 Ca 0.12 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.89 2kkl n SER 115 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2kkl n SER 115 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kkl h LEU 116 N 0.00 0.21-10.64 -3.43 6.46 -2.03 -3.44 115.31 102.45 2kkl h LEU 116 Ca 0.00 -0.15 -0.46 0.00 -0.12 0.00 0.00 57.88 57.15 2kkl h LEU 116 Cb 0.00 -0.05 0.07 0.00 -0.73 0.00 0.00 40.66 39.94 2kkl h LEU 116 CO 0.00 0.30 0.05 0.54 -0.62 0.00 0.00 178.44 178.71 2kkl s ASN 117 N -5.53 4.69 -0.22 1.25 4.22 -1.26 -5.11 114.94 112.97 2kkl s ASN 117 Ca -0.14 -0.29 -0.36 0.00 -2.14 0.00 0.00 52.86 49.93 2kkl s ASN 117 Cb 0.07 -0.26 0.14 0.00 1.28 0.00 0.00 41.25 42.49 2kkl s ASN 117 CO 0.70 -1.61 1.27 -0.83 -2.04 0.00 0.00 177.10 174.59 2kkl s GLY 118 N -4.64 -0.27 0.42 0.45 0.00 -1.26 -4.32 107.32 97.71 2kkl s GLY 118 Ca 0.63 1.69 -0.26 0.00 0.00 0.00 0.00 44.72 46.78 2kkl s GLY 118 CO 0.42 0.56 1.36 -1.59 0.00 0.00 0.00 173.10 173.85 2kkl s THR 119 N -2.29 2.39 0.19 0.90 2.01 -1.26 -4.95 115.64 112.63 2kkl s THR 119 Ca 0.10 0.35 0.09 0.00 0.31 0.00 0.00 61.69 62.54 2kkl s THR 119 Cb -0.01 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2kkl s THR 119 CO -0.04 0.05 -0.17 -0.72 -0.69 0.00 0.00 174.62 173.05 2kkl s TYR 120 N -1.23 1.86 -0.06 4.92 -0.85 -1.26 -3.96 117.35 116.76 2kkl s TYR 120 Ca 0.58 -0.48 0.06 0.00 -0.52 0.00 0.00 57.07 56.70 2kkl s TYR 120 Cb -0.41 -0.89 -0.01 0.00 0.38 0.00 0.00 41.96 41.04 2kkl s TYR 120 CO 0.53 0.39 -0.24 0.54 -1.52 0.00 0.00 175.55 175.25 2kkl s VAL 121 N -2.39 1.97 0.00 -3.49 0.11 -1.25 -4.60 120.40 110.75 2kkl s VAL 121 Ca 0.20 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 2kkl s VAL 121 Cb -0.04 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.14 2kkl s VAL 121 CO 0.08 0.55 0.00 0.59 -3.33 0.00 0.00 175.10 172.99 2kkl n ASN 122 N 3.06 0.00 -0.18 3.54 5.03 -1.26 -0.63 115.26 124.82 2kkl n ASN 122 Ca -0.18 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.31 2kkl n ASN 122 Cb 0.52 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.34 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kkl n ARG 123 N 0.00 1.04 -3.81 3.52 1.74 -1.26 -4.92 116.66 112.97 2kkl n ARG 123 Ca 0.00 -1.68 -0.28 0.00 -0.77 0.00 0.00 57.85 55.11 2kkl n ARG 123 Cb 0.00 -1.00 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kkl s GLU 124 N -1.37 1.98 0.30 5.56 2.02 0.20 -5.10 118.70 122.30 2kkl s GLU 124 Ca 0.13 -2.85 -0.30 0.00 0.02 0.00 0.00 54.97 51.98 2kkl s GLU 124 Cb 0.12 -2.96 -0.12 0.00 0.10 0.00 0.00 34.13 31.27 2kkl s GLU 124 CO 0.01 -1.25 1.49 -2.30 0.02 0.00 0.00 175.26 173.23 2kkl n PRO 125 N 2.52 2.44 -3.71 0.39 -0.02 -1.26 -3.88 135.00 131.49 2kkl n PRO 125 Ca 0.17 0.87 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 2kkl n PRO 125 Cb 0.36 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 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 -0.33 0.09 0.16 -1.45 -7.23 -1.25 -4.94 120.40 105.45 2kkl s VAL 126 Ca 0.62 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.91 2kkl s VAL 126 Cb -0.54 -1.19 0.05 0.00 0.56 0.00 0.00 36.38 35.26 2kkl s VAL 126 CO 0.53 -0.42 1.72 -0.78 -0.31 0.00 0.00 175.10 175.85 2kkl h ASP 127 N 2.58 0.71 -4.74 4.85 3.58 -1.95 -3.42 116.42 118.03 2kkl h ASP 127 Ca -0.34 -0.15 -0.27 0.00 0.42 0.00 0.00 57.03 56.69 2kkl h ASP 127 Cb 1.23 -0.18 -0.20 0.00 1.72 0.00 0.00 39.33 41.89 2kkl h ASP 127 CO 0.49 0.67 -0.73 -0.44 -2.88 0.00 0.00 179.24 176.35 2kkl s SER 128 N -5.97 0.91 0.01 2.28 0.01 -1.26 -3.18 113.70 106.50 2kkl s SER 128 Ca -0.13 -0.61 -0.14 0.00 1.31 0.00 0.00 55.95 56.38 2kkl s SER 128 Cb 0.12 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.41 2kkl s SER 128 CO 0.77 -0.23 0.31 0.00 0.41 0.00 0.00 173.24 174.50 2kkl s ALA 129 N -1.66 -0.73 -0.14 1.44 0.00 -0.90 -5.02 121.76 114.76 2kkl s ALA 129 Ca -0.07 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 2kkl s ALA 129 Cb -0.08 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 2kkl s ALA 129 CO -0.00 -0.34 0.30 0.08 0.00 0.00 0.00 175.76 175.80 2kkl s VAL 130 N -1.94 5.28 0.41 0.00 1.01 -1.26 -0.95 120.40 122.94 2kkl s VAL 130 Ca -0.09 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 2kkl s VAL 130 Cb -0.03 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 2kkl s VAL 130 CO 0.00 0.43 1.04 -0.76 0.00 0.00 0.00 175.10 175.81 2kkl s LEU 131 N 0.16 4.10 0.07 3.92 1.43 -0.65 -4.94 118.68 122.77 2kkl s LEU 131 Ca 0.18 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 2kkl s LEU 131 Cb -0.13 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 2kkl s LEU 131 CO 0.05 -0.51 -0.08 0.00 0.23 0.00 0.00 176.35 176.05 2kkl s ALA 132 N -1.71 0.77 -0.67 4.21 0.00 -1.26 -4.73 121.76 118.36 2kkl s ALA 132 Ca 0.59 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 51.22 2kkl s ALA 132 Cb -0.21 0.07 -0.17 0.00 0.00 0.00 0.00 23.12 22.82 2kkl s ALA 132 CO 0.26 -0.08 2.42 0.27 0.00 0.00 0.00 175.76 178.64 2kkl n ASN 133 N 0.92 1.10 -0.28 0.00 2.04 -1.26 -0.74 115.26 117.03 2kkl n ASN 133 Ca -0.19 0.23 0.00 0.00 -0.44 0.00 0.00 54.58 54.18 2kkl n ASN 133 Cb 0.57 -1.09 0.00 0.00 -2.53 0.00 0.00 39.78 36.73 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2kkl n GLY 134 N 6.66 0.75 3.92 4.83 0.00 0.12 -5.02 105.19 116.45 2kkl n GLY 134 Ca 0.54 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.11 5.81 -0.24 1.61 2.15 0.08 -4.86 116.67 119.10 2kkl s ASP 135 Ca 0.00 0.68 -0.03 0.00 0.43 0.00 0.00 52.55 53.64 2kkl s ASP 135 Cb 0.00 -1.81 0.01 0.00 -0.30 0.00 0.00 42.92 40.82 2kkl s ASP 135 CO 0.00 -0.87 -0.04 -0.70 -0.17 0.00 0.00 175.17 173.39 2kkl s GLU 136 N -4.84 3.06 -0.06 4.34 -6.30 -1.26 -2.14 118.70 111.50 2kkl s GLU 136 Ca 0.51 -0.83 0.04 0.00 -2.50 0.00 0.00 54.97 52.19 2kkl s GLU 136 Cb -0.10 -3.03 -0.00 0.00 0.00 0.00 0.00 34.13 31.00 2kkl s GLU 136 CO 0.44 -0.33 -0.19 0.08 0.02 0.00 0.00 175.26 175.28 2kkl s VAL 137 N 1.40 1.57 -0.10 3.70 1.01 -0.69 -4.11 120.40 123.18 2kkl s VAL 137 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2kkl s VAL 137 Cb -0.16 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.90 2kkl s VAL 137 CO -0.04 0.45 -0.03 -1.58 0.00 0.00 0.00 175.10 173.90 2kkl s GLN 138 N 0.12 1.05 -0.10 2.72 0.74 -1.26 -1.11 119.66 121.83 2kkl s GLN 138 Ca -0.07 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.24 2kkl s GLN 138 Cb -0.13 -1.38 0.01 0.00 1.10 0.00 0.00 33.01 32.61 2kkl s GLN 138 CO 0.03 -0.32 -0.18 0.42 -0.55 0.00 0.00 175.29 174.69 2kkl s ILE 139 N 1.83 1.63 0.00 -2.34 1.01 -0.68 -4.78 121.20 117.88 2kkl s ILE 139 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2kkl s ILE 139 Cb -0.13 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2kkl s ILE 139 CO -0.07 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2kkl n GLY 140 N 3.85 3.32 0.02 6.18 0.00 -1.26 -1.35 105.19 115.94 2kkl n GLY 140 Ca -0.20 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.05 -3.58 1.61 4.81 -1.26 -4.90 118.16 128.89 2kkl n LYS 141 Ca 0.00 -0.04 -0.36 0.00 -0.87 0.00 0.00 58.31 57.04 2kkl n LYS 141 Cb 0.00 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.49 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 -2.98 3.64 -0.10 5.64 0.08 -0.46 -4.77 117.98 119.04 2kkl s PHE 142 Ca 0.10 0.84 0.03 0.00 0.12 0.00 0.00 56.93 58.02 2kkl s PHE 142 Cb 0.17 -2.18 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2kkl s PHE 142 CO 0.79 0.59 -0.21 0.50 -0.10 0.00 0.00 175.22 176.79 2kkl s ARG 143 N -1.51 3.11 0.10 0.44 3.52 -1.24 -1.69 118.95 121.68 2kkl s ARG 143 Ca 0.28 -0.82 0.09 0.00 -0.13 0.00 0.00 55.73 55.14 2kkl s ARG 143 Cb -0.15 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.82 2kkl s ARG 143 CO 0.15 0.21 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.12 2kkl s LEU 144 N 0.29 2.28 -0.04 -0.88 1.02 -0.27 -0.92 118.68 120.17 2kkl s LEU 144 Ca -0.15 -0.67 0.05 0.00 0.02 0.00 0.00 54.13 53.38 2kkl s LEU 144 Cb -0.17 -0.95 -0.01 0.00 0.02 0.00 0.00 46.19 45.08 2kkl s LEU 144 CO 0.08 0.09 -0.19 0.54 0.02 0.00 0.00 176.35 176.89 2kkl s VAL 145 N -1.10 1.54 -0.29 -1.59 0.11 -0.89 -1.70 120.40 116.48 2kkl s VAL 145 Ca 0.08 -0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 58.07 2kkl s VAL 145 Cb -0.10 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 2kkl s VAL 145 CO 0.04 0.44 0.94 0.12 -3.33 0.00 0.00 175.10 173.31 2kkl s PHE 146 N -0.15 3.22 0.03 1.54 5.36 -0.91 -2.86 117.98 124.20 2kkl s PHE 146 Ca 0.00 1.09 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 2kkl s PHE 146 Cb -0.10 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.18 2kkl s PHE 146 CO 0.01 -0.61 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.58 2kkl s LEU 147 N 3.23 2.17 -0.13 6.12 1.43 -1.11 -0.70 118.68 129.70 2kkl s LEU 147 Ca 0.39 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2kkl s LEU 147 Cb -0.14 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 2kkl s LEU 147 CO 0.12 -0.10 -0.08 0.42 0.23 0.00 0.00 176.35 176.94 2kkl s THR 148 N -0.94 3.54 -2.00 5.49 -4.23 -1.26 -2.65 115.64 113.59 2kkl s THR 148 Ca -0.05 -0.50 0.15 0.00 -1.18 0.00 0.00 61.69 60.11 2kkl s THR 148 Cb -0.07 -2.51 0.41 0.00 1.34 0.00 0.00 72.50 71.67 2kkl s THR 148 CO 0.00 0.52 1.32 0.61 -0.54 0.00 0.00 174.62 176.54 2kkl n GLY 149 N 3.29 -0.64 2.97 3.99 0.00 -1.26 -4.44 105.19 109.11 2kkl n GLY 149 Ca -0.18 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2kkl n GLY 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kkl s HIS 150 N -2.00 2.71 0.23 1.61 5.65 -1.26 -4.40 115.29 117.84 2kkl s HIS 150 Ca 0.22 -2.00 -0.23 0.00 0.25 0.00 0.00 55.06 53.29 2kkl s HIS 150 Cb 0.10 -1.78 -0.09 0.00 -1.18 0.00 0.00 32.58 29.64 2kkl s HIS 150 CO 0.17 -0.82 0.80 0.21 -0.65 0.00 0.00 174.74 174.45 2kkl s LYS 151 N 1.29 4.44 -0.04 2.88 2.20 -1.26 -5.04 119.74 124.20 2kkl s LYS 151 Ca -0.05 1.08 -0.31 0.00 -0.36 0.00 0.00 55.97 56.34 2kkl s LYS 151 Cb -0.19 -2.97 0.12 0.00 -1.51 0.00 0.00 37.83 33.28 2kkl s LYS 151 CO -0.07 0.41 1.19 1.14 -0.36 0.00 0.00 175.35 177.66 2kkl s GLN 152 N -1.76 0.52 0.00 4.03 -2.07 -1.26 -4.90 119.66 114.22 2kkl s GLN 152 Ca 0.43 -0.26 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 2kkl s GLN 152 Cb -0.19 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 2kkl s GLN 152 CO 0.23 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.38 2kkl n GLY 153 N -0.36 2.72 0.00 2.60 0.00 -1.26 -4.71 105.19 104.18 2kkl n GLY 153 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.93 2.26 -2.29 1.61 -0.58 -1.26 -5.08 120.64 113.37 2kkl n GLU 154 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2kkl n GLU 154 Cb 0.00 -0.22 -0.02 0.00 -0.57 0.00 0.00 31.44 30.64 2kkl n GLU 154 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2kkl s ASP 155 N -0.30 6.37 0.31 1.62 -4.77 -1.26 -4.99 116.67 113.65 2kkl s ASP 155 Ca 0.00 2.31 -0.27 0.00 -3.30 0.00 0.00 52.55 51.28 2kkl s ASP 155 Cb 0.00 -2.61 -0.09 0.00 -1.09 0.00 0.00 42.92 39.13 2kkl s ASP 155 CO 0.00 -0.78 1.00 -0.76 0.70 0.00 0.00 175.17 175.33 2kkl s LEU 156 N -2.76 4.41 0.00 2.11 1.02 -1.26 -4.94 118.68 117.26 2kkl s LEU 156 Ca 0.60 2.00 0.26 0.00 0.02 0.00 0.00 54.13 57.01 2kkl s LEU 156 Cb -0.29 -3.88 0.73 0.00 0.02 0.00 0.00 46.19 42.77 2kkl s LEU 156 CO 0.36 -0.13 1.57 -0.62 0.02 0.00 0.00 176.35 177.55 2kkl n GLU 157 N 0.76 0.08 -2.88 1.70 1.02 -1.26 -4.85 120.64 115.20 2kkl n GLU 157 Ca 0.01 -0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.71 2kkl n GLU 157 Cb 0.48 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 2kkl n GLU 157 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kkl s HIS 158 N -2.95 3.86 -0.08 -0.32 2.46 -1.26 -5.06 115.29 111.95 2kkl s HIS 158 Ca 0.13 1.68 -0.06 0.00 0.47 0.00 0.00 55.06 57.29 2kkl s HIS 158 Cb 0.18 -2.89 0.02 0.00 -0.13 0.00 0.00 32.58 29.77 2kkl s HIS 158 CO 0.64 0.38 0.19 -3.38 -2.47 0.00 0.00 174.74 170.10 2kkl s HIS 159 N -0.62 -0.22 0.62 3.88 -3.43 -1.26 -5.16 115.29 109.09 2kkl s HIS 159 Ca 0.40 0.55 -0.07 0.00 -0.80 0.00 0.00 55.06 55.14 2kkl s HIS 159 Cb -0.23 0.05 0.01 0.00 -1.43 0.00 0.00 32.58 30.99 2kkl s HIS 159 CO 0.27 -0.13 0.94 -1.58 -2.00 0.00 0.00 174.74 172.25 2kkl s HIS 160 N 0.37 3.23 -0.66 0.38 2.46 -1.26 -4.93 115.29 114.89 2kkl s HIS 160 Ca -0.02 0.68 0.14 0.00 0.47 0.00 0.00 55.06 56.33 2kkl s HIS 160 Cb -0.04 -2.83 0.67 0.00 -0.13 0.00 0.00 32.58 30.26 2kkl s HIS 160 CO -0.02 -0.93 1.44 0.72 -2.47 0.00 0.00 174.74 173.48 2kkl n HIS 161 N -2.67 0.38 -1.19 3.88 8.25 -1.26 -4.72 115.22 117.89 2kkl n HIS 161 Ca 0.05 0.18 -0.29 0.00 -0.26 0.00 0.00 57.72 57.40 2kkl n HIS 161 Cb 0.58 -0.78 0.20 0.00 1.12 0.00 0.00 29.99 31.11 2kkl n HIS 161 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kkl s HIS 162 N -3.22 1.45 0.00 4.41 5.65 -1.26 -5.38 115.29 116.93 2kkl s HIS 162 Ca 0.02 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.07 2kkl s HIS 162 Cb 0.06 -3.38 0.00 0.00 -1.18 0.00 0.00 32.58 28.07 2kkl s HIS 162 CO 0.19 -3.28 0.00 0.72 -0.65 0.00 0.00 174.74 171.73