#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl s PHE 25 N 0.00 1.62 -0.10 1.45 -0.12 -1.26 -5.05 117.98 114.53 2kkl s PHE 25 Ca 0.00 1.12 -0.03 0.00 -0.05 0.00 0.00 56.93 57.97 2kkl s PHE 25 Cb 0.00 -3.16 0.05 0.00 -0.63 0.00 0.00 43.02 39.28 2kkl s PHE 25 CO 0.00 -3.52 0.11 1.03 -0.05 0.00 0.00 175.22 172.80 2kkl s ARG 26 N -4.65 0.01 1.55 1.99 0.52 -1.26 -5.09 118.95 112.02 2kkl s ARG 26 Ca 0.67 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 2kkl s ARG 26 Cb -0.23 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.46 2kkl s ARG 26 CO 0.62 -0.43 0.00 0.00 0.02 0.00 0.00 175.30 175.51 2kkl n ALA 27 N 5.31 0.00 0.00 2.13 0.00 -1.26 -4.18 120.51 122.50 2kkl n ALA 27 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kkl n ALA 27 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.91 2.64 -0.80 0.00 2.03 -1.26 -5.09 116.55 115.97 2kkl n ASP 28 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kkl n ASP 28 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.34 -1.20 -2.65 -0.67 -1.74 -1.26 -5.01 117.46 102.59 2kkl n PHE 29 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 2kkl n PHE 29 Cb 0.38 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.35 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2kkl s LEU 30 N 0.00 3.59 0.86 5.98 2.34 -1.26 -4.87 118.68 125.32 2kkl s LEU 30 Ca 0.00 -0.70 -0.10 0.00 0.06 0.00 0.00 54.13 53.38 2kkl s LEU 30 Cb 0.00 -2.51 0.11 0.00 -0.56 0.00 0.00 46.19 43.22 2kkl s LEU 30 CO 0.00 -1.68 1.11 -0.94 -1.06 0.00 0.00 176.35 173.78 2kkl s SER 31 N 3.79 3.63 -0.71 1.48 1.04 -1.26 -4.19 113.70 117.48 2kkl s SER 31 Ca 0.32 1.94 -0.03 0.00 0.48 0.00 0.00 55.95 58.65 2kkl s SER 31 Cb -0.10 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2kkl s SER 31 CO 0.12 -2.61 0.67 -0.62 0.98 0.00 0.00 173.24 171.78 2kkl n GLU 32 N -3.90 -1.51 -0.26 4.02 -0.58 -1.26 -4.89 120.64 112.27 2kkl n GLU 32 Ca 0.10 1.43 -0.06 0.00 -0.42 0.00 0.00 57.16 58.20 2kkl n GLU 32 Cb 0.53 -4.97 0.05 0.00 -0.57 0.00 0.00 31.44 26.48 2kkl n GLU 32 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2kkl h LEU 33 N 0.56 0.97 -1.78 -4.62 5.85 -2.03 -3.46 115.31 110.79 2kkl h LEU 33 Ca -0.14 -0.17 -0.36 0.00 0.84 0.00 0.00 57.88 58.06 2kkl h LEU 33 Cb 1.09 -0.25 0.13 0.00 0.37 0.00 0.00 40.66 42.00 2kkl h LEU 33 CO 0.30 0.87 -0.80 0.47 -0.34 0.00 0.00 178.44 178.94 2kkl n ASP 34 N -4.37 -2.10 -3.63 1.25 8.00 -1.26 -4.87 116.55 109.56 2kkl n ASP 34 Ca 0.06 -0.70 -0.33 0.00 0.71 0.00 0.00 54.79 54.52 2kkl n ASP 34 Cb 0.17 -4.73 0.02 0.00 -0.02 0.00 0.00 41.12 36.56 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkl n ALA 35 N -4.12 -3.93 -1.59 2.24 0.00 -1.26 -4.86 120.51 106.99 2kkl n ALA 35 Ca -0.28 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.52 2kkl n ALA 35 Cb 0.67 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.29 2.88 0.00 0.00 0.04 -1.26 -4.89 135.00 130.47 2kkl s PRO 36 Ca 0.43 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kkl s PRO 36 Cb -0.31 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2kkl s PRO 36 CO 0.65 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 176.47 2kkl n ALA 37 N -2.07 0.00 1.37 8.56 0.00 -1.26 -4.91 120.51 122.20 2kkl n ALA 37 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2kkl n ALA 37 Cb 0.51 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.38 2kkl n ALA 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kkl n GLN 38 N 0.00 1.83 0.00 0.00 3.00 -1.26 -4.00 117.38 116.95 2kkl n GLN 38 Ca 0.00 -1.21 0.06 0.00 -0.01 0.00 0.00 57.00 55.83 2kkl n GLN 38 Cb 0.00 -1.47 0.34 0.00 0.00 0.00 0.00 30.24 29.10 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kkl n ALA 39 N 0.47 2.06 1.24 -1.58 0.00 -1.26 -2.86 120.51 118.58 2kkl n ALA 39 Ca 0.18 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2kkl n ALA 39 Cb 0.42 -1.18 0.27 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.02 -0.62 3.76 0.00 0.00 -1.26 -4.79 105.19 102.27 2kkl n GLY 40 Ca 0.09 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkl s THR 41 N -2.00 2.21 -1.98 2.61 2.01 -1.13 -4.83 115.64 112.53 2kkl s THR 41 Ca 0.14 0.19 0.13 0.00 0.31 0.00 0.00 61.69 62.46 2kkl s THR 41 Cb 0.06 -3.12 0.37 0.00 0.01 0.00 0.00 72.50 69.82 2kkl s THR 41 CO 0.10 0.04 1.21 -1.84 -0.69 0.00 0.00 174.62 173.44 2kkl n GLU 42 N 1.56 0.40 0.00 4.92 0.28 -1.26 -1.86 120.64 124.68 2kkl n GLU 42 Ca 0.05 0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.19 2kkl n GLU 42 Cb 0.39 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.20 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2kkl n SER 43 N -1.01 0.36 0.01 -1.84 3.41 -1.26 -3.07 113.62 110.22 2kkl n SER 43 Ca 0.10 -0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 2kkl n SER 43 Cb 0.05 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkl n ALA 44 N -1.35 3.93 0.25 7.33 0.00 -0.77 -4.04 120.51 125.86 2kkl n ALA 44 Ca 0.08 -0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.14 2kkl n ALA 44 Cb 0.33 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 18.72 2kkl n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkl n VAL 45 N -1.71 0.00 -2.10 0.00 0.31 -1.22 -4.95 118.33 108.65 2kkl n VAL 45 Ca 0.03 -0.36 -0.39 0.00 -0.01 0.00 0.00 64.34 63.61 2kkl n VAL 45 Cb 0.39 0.27 -0.00 0.00 -0.91 0.00 0.00 33.84 33.58 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kkl s SER 46 N -4.07 6.23 0.17 4.52 0.15 -1.18 -4.78 113.70 114.74 2kkl s SER 46 Ca -0.04 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.16 2kkl s SER 46 Cb 0.14 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2kkl s SER 46 CO 0.88 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2kkl n GLY 47 N 0.64 -1.97 3.21 9.45 0.00 -1.26 -4.99 105.19 110.27 2kkl n GLY 47 Ca 0.05 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 2kkl n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kkl n VAL 48 N -0.98 -3.95 -3.30 1.61 0.31 -1.25 -4.99 118.33 105.78 2kkl n VAL 48 Ca 0.00 0.55 -0.08 0.00 -0.01 0.00 0.00 64.34 64.80 2kkl n VAL 48 Cb 0.06 -3.74 -0.06 0.00 -0.91 0.00 0.00 33.84 29.19 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kkl s GLU 49 N -1.53 0.42 0.00 5.55 2.12 -1.26 -4.91 118.70 119.10 2kkl s GLU 49 Ca 0.12 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2kkl s GLU 49 Cb -0.01 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.10 2kkl s GLU 49 CO 0.35 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 2kkl n GLY 50 N 5.36 0.74 2.68 -1.50 0.00 -1.26 -4.98 105.19 106.24 2kkl n GLY 50 Ca 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.38 -1.69 -0.27 0.99 7.94 -1.26 -4.34 117.00 117.99 2kkl n LEU 51 Ca 0.00 -1.71 0.03 0.00 -1.11 0.00 0.00 56.01 53.22 2kkl n LEU 51 Cb 0.00 0.60 0.17 0.00 0.53 0.00 0.00 43.42 44.71 2kkl n LEU 51 CO 0.00 1.49 1.09 -0.65 -1.11 0.00 0.00 177.39 178.22 2kkl h PRO 52 N 3.77 0.63 -7.27 1.96 0.11 -1.99 -3.43 132.00 125.78 2kkl h PRO 52 Ca -0.12 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.46 2kkl h PRO 52 Cb 1.17 -0.14 0.05 0.00 0.11 0.00 0.00 31.00 32.18 2kkl h PRO 52 CO -0.09 0.42 0.39 -1.25 -0.21 0.00 0.00 178.00 177.26 2kkl s PRO 53 N -6.03 3.64 -1.13 1.05 0.04 -1.26 -4.95 135.00 126.36 2kkl s PRO 53 Ca -0.12 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 61.62 2kkl s PRO 53 Cb 0.19 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2kkl s PRO 53 CO 0.77 -0.53 1.72 0.20 0.04 0.00 0.00 177.00 179.20 2kkl s GLY 54 N -3.49 1.00 0.12 0.56 0.00 -1.26 -4.90 107.32 99.34 2kkl s GLY 54 Ca 0.58 -2.34 -0.00 0.00 0.00 0.00 0.00 44.72 42.96 2kkl s GLY 54 CO 0.42 3.00 0.02 1.08 0.00 0.00 0.00 173.10 177.62 2kkl s LEU 55 N 6.74 2.06 0.07 0.66 1.43 -1.26 -5.06 118.68 123.31 2kkl s LEU 55 Ca 0.57 -1.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 2kkl s LEU 55 Cb 0.00 0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.41 2kkl s LEU 55 CO 0.02 -0.65 0.29 0.00 0.23 0.00 0.00 176.35 176.24 2kkl s ALA 56 N -3.90 -0.61 0.21 4.21 0.00 -1.26 -4.74 121.76 115.67 2kkl s ALA 56 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 2kkl s ALA 56 Cb 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2kkl s ALA 56 CO -0.01 -0.47 0.21 -0.48 0.00 0.00 0.00 175.76 175.01 2kkl s LEU 57 N -2.36 0.97 0.03 0.00 0.05 -0.99 -0.56 118.68 115.82 2kkl s LEU 57 Ca -0.02 -1.28 0.07 0.00 0.05 0.00 0.00 54.13 52.96 2kkl s LEU 57 Cb 0.01 0.70 -0.02 0.00 -2.05 0.00 0.00 46.19 44.82 2kkl s LEU 57 CO -0.06 -0.91 -0.21 -0.76 -0.55 0.00 0.00 176.35 173.86 2kkl s LEU 58 N -3.13 2.14 -0.05 1.48 1.43 -0.01 -2.75 118.68 117.80 2kkl s LEU 58 Ca 0.35 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2kkl s LEU 58 Cb 0.05 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.29 2kkl s LEU 58 CO 0.11 0.18 -0.11 -0.69 0.23 0.00 0.00 176.35 176.07 2kkl s VAL 59 N -0.74 0.96 0.10 -1.59 1.01 -1.04 -1.10 120.40 118.01 2kkl s VAL 59 Ca 0.08 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2kkl s VAL 59 Cb -0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 2kkl s VAL 59 CO 0.01 0.31 1.12 -0.69 0.00 0.00 0.00 175.10 175.85 2kkl s VAL 60 N 0.47 4.09 0.00 2.92 1.01 -1.08 -1.56 120.40 126.25 2kkl s VAL 60 Ca -0.09 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2kkl s VAL 60 Cb -0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2kkl s VAL 60 CO 0.02 0.20 0.00 0.29 0.00 0.00 0.00 175.10 175.60 2kkl n LYS 61 N 3.22 0.00 -5.07 2.72 5.02 -1.06 -4.18 118.16 118.82 2kkl n LYS 61 Ca 0.06 0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 56.23 2kkl n LYS 61 Cb 0.47 -0.64 -0.15 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.62 2.77 0.00 1.97 3.52 -1.26 -4.82 118.95 120.51 2kkl s ARG 62 Ca 0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 2kkl s ARG 62 Cb 0.00 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 2kkl s ARG 62 CO 0.00 0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 2kkl n GLY 63 N 2.98 1.53 0.29 8.12 0.00 -1.26 -4.36 105.19 112.50 2kkl n GLY 63 Ca -0.18 -1.46 0.19 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.64 1.61 0.13 -2.02 -2.29 132.00 128.79 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 -3.05 5.12 -4.65 1.44 3.02 -1.26 -4.98 115.26 110.90 2kkl n ASN 65 Ca -0.00 -2.80 -0.44 0.00 -0.03 0.00 0.00 54.58 51.31 2kkl n ASN 65 Cb 0.24 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 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 0.57 0.64 0.00 5.41 0.00 -0.86 -1.26 120.51 125.00 2kkl n ALA 66 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2kkl n ALA 66 Cb 1.07 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.11 3.28 3.78 0.00 0.00 -1.26 -5.04 105.19 107.07 2kkl n GLY 67 Ca 0.07 0.00 -0.35 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 -0.59 6.05 0.02 1.61 0.01 -0.39 -4.92 113.70 115.48 2kkl s SER 68 Ca 0.00 2.10 -0.09 0.00 1.31 0.00 0.00 55.95 59.27 2kkl s SER 68 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2kkl s SER 68 CO 0.00 -0.99 0.17 0.00 0.41 0.00 0.00 173.24 172.83 2kkl s ARG 69 N -3.16 0.59 -0.08 12.44 1.70 -1.26 -2.63 118.95 126.55 2kkl s ARG 69 Ca 0.69 -0.51 0.04 0.00 -0.47 0.00 0.00 55.73 55.49 2kkl s ARG 69 Cb -0.22 0.25 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 2kkl s ARG 69 CO 0.25 -0.16 -0.22 -0.06 -1.08 0.00 0.00 175.30 174.03 2kkl s PHE 70 N -1.96 2.33 -0.21 5.89 0.08 -0.25 -4.95 117.98 118.91 2kkl s PHE 70 Ca -0.10 -0.86 -0.10 0.00 0.12 0.00 0.00 56.93 55.99 2kkl s PHE 70 Cb -0.04 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2kkl s PHE 70 CO -0.01 -0.33 0.13 -1.17 -0.10 0.00 0.00 175.22 173.74 2kkl s LEU 71 N 0.23 4.14 -0.18 -0.37 2.96 -1.26 -0.83 118.68 123.37 2kkl s LEU 71 Ca -0.13 0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.82 2kkl s LEU 71 Cb -0.16 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2kkl s LEU 71 CO 0.06 0.15 0.31 -0.76 -1.32 0.00 0.00 176.35 174.80 2kkl s LEU 72 N 0.52 4.21 -0.33 -0.68 1.43 0.28 -4.89 118.68 119.21 2kkl s LEU 72 Ca 0.07 0.47 0.15 0.00 -1.03 0.00 0.00 54.13 53.79 2kkl s LEU 72 Cb -0.12 -2.38 0.43 0.00 0.03 0.00 0.00 46.19 44.15 2kkl s LEU 72 CO -0.00 0.05 1.43 -0.67 0.23 0.00 0.00 176.35 177.38 2kkl n ASP 73 N 3.89 -0.78 -3.97 2.29 -0.08 -1.26 -4.00 116.55 112.63 2kkl n ASP 73 Ca -0.11 -2.21 -0.09 0.00 -1.51 0.00 0.00 54.79 50.87 2kkl n ASP 73 Cb 0.52 0.44 -0.10 0.00 2.34 0.00 0.00 41.12 44.31 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kkl s GLN 74 N -0.79 0.44 0.13 -0.67 -0.21 -1.26 -5.06 119.66 112.24 2kkl s GLN 74 Ca 0.14 -0.71 -0.19 0.00 0.02 0.00 0.00 55.36 54.62 2kkl s GLN 74 Cb 0.42 0.16 -0.05 0.00 1.00 0.00 0.00 33.01 34.54 2kkl s GLN 74 CO -0.10 -0.09 1.77 0.00 -2.12 0.00 0.00 175.29 174.75 2kkl h ALA 75 N 4.15 0.27 -3.21 6.09 0.00 -1.96 -3.41 119.26 121.19 2kkl h ALA 75 Ca -0.32 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.06 2kkl h ALA 75 Cb 1.19 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.56 2kkl h ALA 75 CO 0.47 -0.27 -0.80 0.42 0.00 0.00 0.00 179.25 179.06 2kkl s ILE 76 N -6.17 1.04 -0.21 0.00 1.01 -1.26 -1.12 121.20 114.48 2kkl s ILE 76 Ca -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2kkl s ILE 76 Cb 0.09 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.53 2kkl s ILE 76 CO 0.69 0.37 -0.13 -0.89 0.00 0.00 0.00 174.94 174.98 2kkl s THR 77 N 1.57 2.57 0.41 2.92 2.01 -0.82 -5.01 115.64 119.29 2kkl s THR 77 Ca 0.02 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 2kkl s THR 77 Cb -0.13 -2.16 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 2kkl s THR 77 CO -0.07 0.43 0.78 -0.44 -0.69 0.00 0.00 174.62 174.63 2kkl s SER 78 N 1.34 6.50 0.41 3.53 0.01 -1.26 -1.44 113.70 122.79 2kkl s SER 78 Ca 0.04 1.12 0.08 0.00 1.31 0.00 0.00 55.95 58.50 2kkl s SER 78 Cb -0.14 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 2kkl s SER 78 CO -0.09 -0.42 0.46 0.00 0.41 0.00 0.00 173.24 173.60 2kkl s ALA 79 N -2.42 4.26 0.00 1.44 0.00 -0.83 -4.40 121.76 119.82 2kkl s ALA 79 Ca 0.51 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2kkl s ALA 79 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2kkl s ALA 79 CO 0.33 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2kkl n GLY 80 N -1.68 2.62 3.17 0.00 0.00 -1.26 -4.44 105.19 103.60 2kkl n GLY 80 Ca 0.05 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 3.07 -0.13 1.61 3.52 -1.23 -2.96 118.95 122.82 2kkl s ARG 81 Ca 0.00 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 2kkl s ARG 81 Cb 0.00 -2.60 0.12 0.00 -1.56 0.00 0.00 34.95 30.91 2kkl s ARG 81 CO 0.00 -0.14 0.96 -1.01 -0.81 0.00 0.00 175.30 174.29 2kkl s HIS 82 N 1.17 -0.39 0.46 5.12 3.76 -1.26 -4.85 115.29 119.30 2kkl s HIS 82 Ca 0.02 0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 55.31 2kkl s HIS 82 Cb -0.14 0.46 -0.07 0.00 1.11 0.00 0.00 32.58 33.94 2kkl s HIS 82 CO -0.08 -0.39 1.27 -1.25 -0.85 0.00 0.00 174.74 173.44 2kkl s PRO 83 N -1.36 3.67 -1.35 8.40 0.04 -1.26 -2.89 135.00 140.24 2kkl s PRO 83 Ca -0.02 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 2kkl s PRO 83 Cb -0.00 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 32.05 2kkl s PRO 83 CO 0.01 -0.70 0.11 -0.25 0.04 0.00 0.00 177.00 176.21 2kkl n ASP 84 N -0.41 -4.73 -4.64 6.66 8.00 -1.26 -4.93 116.55 115.24 2kkl n ASP 84 Ca 0.07 0.02 -0.37 0.00 0.71 0.00 0.00 54.79 55.22 2kkl n ASP 84 Cb 0.46 -3.96 -0.10 0.00 -0.02 0.00 0.00 41.12 37.50 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kkl s SER 85 N -2.18 6.13 0.20 -2.24 0.15 -1.14 -4.90 113.70 109.72 2kkl s SER 85 Ca 0.07 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.78 2kkl s SER 85 Cb -0.04 -2.13 0.11 0.00 -1.71 0.00 0.00 66.02 62.26 2kkl s SER 85 CO 0.09 0.01 1.67 0.44 1.20 0.00 0.00 173.24 176.64 2kkl h ASP 86 N 7.76 1.03 -3.33 5.45 3.32 -1.90 -3.41 116.42 125.33 2kkl h ASP 86 Ca -0.37 -0.28 -0.57 0.00 0.02 0.00 0.00 57.03 55.83 2kkl h ASP 86 Cb 1.17 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 2kkl h ASP 86 CO 0.63 1.06 0.30 -0.63 -1.72 0.00 0.00 179.24 178.88 2kkl s ILE 87 N -5.06 4.93 -0.51 0.35 1.01 -1.26 -4.86 121.20 115.80 2kkl s ILE 87 Ca -0.11 1.58 0.03 0.00 0.00 0.00 0.00 60.65 62.15 2kkl s ILE 87 Cb 0.14 -4.11 0.15 0.00 0.01 0.00 0.00 42.46 38.65 2kkl s ILE 87 CO 0.85 0.09 0.32 0.12 0.00 0.00 0.00 174.94 176.33 2kkl s PHE 88 N 1.74 2.44 -0.51 3.97 5.36 -1.26 -4.25 117.98 125.48 2kkl s PHE 88 Ca 0.38 -2.76 -0.00 0.00 -0.96 0.00 0.00 56.93 53.59 2kkl s PHE 88 Cb -0.17 -2.10 0.13 0.00 -0.34 0.00 0.00 43.02 40.54 2kkl s PHE 88 CO 0.15 -0.72 0.28 -0.51 -1.46 0.00 0.00 175.22 172.96 2kkl s LEU 89 N -0.24 4.98 -0.44 6.12 1.43 -1.16 -5.00 118.68 124.37 2kkl s LEU 89 Ca 0.21 -2.57 -0.20 0.00 -1.03 0.00 0.00 54.13 50.54 2kkl s LEU 89 Cb -0.16 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2kkl s LEU 89 CO -0.07 -0.39 0.61 -0.62 0.23 0.00 0.00 176.35 176.11 2kkl s ASP 90 N 0.82 6.29 0.19 2.29 -1.08 -1.26 -4.48 116.67 119.44 2kkl s ASP 90 Ca 0.14 -0.44 -0.21 0.00 -0.52 0.00 0.00 52.55 51.52 2kkl s ASP 90 Cb -0.22 -2.30 0.05 0.00 -1.46 0.00 0.00 42.92 38.99 2kkl s ASP 90 CO -0.04 -0.76 0.59 -0.62 0.52 0.00 0.00 175.17 174.87 2kkl s ASP 91 N 2.02 -0.41 0.11 -0.34 2.15 -1.26 -5.02 116.67 113.91 2kkl s ASP 91 Ca 0.20 -0.26 -0.16 0.00 0.43 0.00 0.00 52.55 52.77 2kkl s ASP 91 Cb -0.15 0.61 -0.04 0.00 -0.30 0.00 0.00 42.92 43.04 2kkl s ASP 91 CO 0.18 -1.06 1.55 0.58 -0.17 0.00 0.00 175.17 176.25 2kkl h VAL 92 N 2.07 1.26 0.00 1.11 2.07 -2.01 -2.92 116.25 117.84 2kkl h VAL 92 Ca -0.30 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 2kkl h VAL 92 Cb 1.28 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2kkl h VAL 92 CO 0.35 0.33 -0.39 0.71 0.02 0.00 0.00 177.57 178.60 2kkl h THR 93 N 0.44 1.22 -3.58 2.57 1.35 -1.99 -3.40 112.91 109.51 2kkl h THR 93 Ca 0.10 -1.35 -0.65 0.00 -0.55 0.00 0.00 66.41 63.96 2kkl h THR 93 Cb 0.47 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 68.47 2kkl h THR 93 CO 0.02 0.38 0.06 -0.69 -0.25 0.00 0.00 175.52 175.04 2kkl s VAL 94 N -4.08 4.90 0.99 6.82 1.01 -1.10 -4.79 120.40 124.16 2kkl s VAL 94 Ca -0.02 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 2kkl s VAL 94 Cb 0.14 -4.11 0.20 0.00 0.00 0.00 0.00 36.38 32.61 2kkl s VAL 94 CO 0.72 -0.44 1.26 -0.44 0.00 0.00 0.00 175.10 176.20 2kkl s SER 95 N 1.89 2.81 0.19 3.32 0.01 -1.26 -4.24 113.70 116.42 2kkl s SER 95 Ca 0.21 0.43 -0.10 0.00 1.31 0.00 0.00 55.95 57.80 2kkl s SER 95 Cb -0.15 -0.59 0.12 0.00 0.21 0.00 0.00 66.02 65.61 2kkl s SER 95 CO 0.16 -2.93 1.78 0.03 0.41 0.00 0.00 173.24 172.69 2kkl h ARG 96 N -1.77 1.00 -1.35 12.44 3.08 -1.90 -3.21 114.38 122.67 2kkl h ARG 96 Ca -0.45 -0.15 -0.54 0.00 0.07 0.00 0.00 59.98 58.91 2kkl h ARG 96 Cb 1.26 -0.18 -0.42 0.00 0.08 0.00 0.00 29.97 30.72 2kkl h ARG 96 CO 0.41 0.80 -0.83 0.54 -1.07 0.00 0.00 179.97 179.82 2kkl n ARG 97 N -4.43 2.97 -0.32 0.04 1.74 -1.26 -3.58 116.66 111.82 2kkl n ARG 97 Ca 0.05 -4.23 -0.04 0.00 -0.77 0.00 0.00 57.85 52.86 2kkl n ARG 97 Cb 0.14 -2.05 0.09 0.00 -1.02 0.00 0.00 32.46 29.62 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 2.64 1.23 -3.46 -1.55 2.76 -1.81 -3.43 115.15 111.53 2kkl h HIS 98 Ca 0.22 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 2kkl h HIS 98 Cb 1.02 -0.39 -0.17 0.00 1.55 0.00 0.00 27.41 29.42 2kkl h HIS 98 CO 0.76 0.87 -0.33 0.00 -1.30 0.00 0.00 177.93 177.92 2kkl s ALA 99 N -5.75 -0.49 0.05 5.26 0.00 -1.26 -4.47 121.76 115.10 2kkl s ALA 99 Ca -0.13 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.68 2kkl s ALA 99 Cb 0.17 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2kkl s ALA 99 CO 0.83 -0.38 -0.07 -2.00 0.00 0.00 0.00 175.76 174.14 2kkl s GLU 100 N -2.57 0.54 -0.03 0.00 2.12 -0.87 -1.97 118.70 115.92 2kkl s GLU 100 Ca -0.05 -0.83 0.07 0.00 0.36 0.00 0.00 54.97 54.52 2kkl s GLU 100 Cb -0.01 -0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.15 2kkl s GLU 100 CO -0.04 0.02 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.40 2kkl s PHE 101 N -1.76 2.23 0.00 5.30 0.08 -0.52 -1.17 117.98 122.14 2kkl s PHE 101 Ca -0.07 -0.48 0.04 0.00 0.12 0.00 0.00 56.93 56.53 2kkl s PHE 101 Cb -0.07 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2kkl s PHE 101 CO -0.01 -0.08 -0.12 1.03 -0.10 0.00 0.00 175.22 175.94 2kkl s ARG 102 N -0.47 0.96 -0.22 0.44 0.52 -0.15 -1.95 118.95 118.08 2kkl s ARG 102 Ca 0.06 -0.50 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 2kkl s ARG 102 Cb -0.10 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 2kkl s ARG 102 CO 0.00 0.25 0.38 -1.17 0.02 0.00 0.00 175.30 174.78 2kkl s LEU 103 N -0.46 4.12 -0.20 2.53 2.96 -0.28 -0.35 118.68 127.00 2kkl s LEU 103 Ca 0.04 0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2kkl s LEU 103 Cb -0.05 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.17 2kkl s LEU 103 CO -0.00 -0.10 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.12 2kkl s GLU 104 N 1.50 3.23 0.55 1.98 2.12 0.40 -4.94 118.70 123.53 2kkl s GLU 104 Ca 0.17 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2kkl s GLU 104 Cb -0.15 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.42 2kkl s GLU 104 CO 0.08 -0.19 0.00 -1.71 -0.54 0.00 0.00 175.26 172.90 2kkl n ASN 105 N 4.68 0.00 -0.53 -1.70 2.85 -1.26 0.55 115.26 119.85 2kkl n ASN 105 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2kkl n ASN 105 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 2kkl n ASN 105 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 2kkl n ASN 106 N 1.33 0.02 -4.06 1.20 0.23 -1.26 -5.08 115.26 107.64 2kkl n ASN 106 Ca 0.00 -1.81 -0.22 0.00 -0.53 0.00 0.00 54.58 52.03 2kkl n ASN 106 Cb 0.00 -0.16 -0.15 0.00 -2.08 0.00 0.00 39.78 37.39 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2kkl s GLU 107 N 0.00 1.15 0.34 -3.83 2.02 0.19 -5.03 118.70 113.55 2kkl s GLU 107 Ca 0.01 -0.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.36 2kkl s GLU 107 Cb 0.01 -1.07 -0.10 0.00 0.10 0.00 0.00 34.13 33.07 2kkl s GLU 107 CO -0.00 0.21 0.87 -0.06 0.02 0.00 0.00 175.26 176.29 2kkl s PHE 108 N -0.04 3.49 0.08 1.61 0.08 -1.26 -0.46 117.98 121.48 2kkl s PHE 108 Ca 0.00 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.61 2kkl s PHE 108 Cb -0.08 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.57 2kkl s PHE 108 CO 0.00 0.10 -0.07 -0.80 -0.10 0.00 0.00 175.22 174.35 2kkl s ASN 109 N -1.95 1.05 -0.09 1.36 0.01 0.52 -1.42 114.94 114.42 2kkl s ASN 109 Ca 0.54 -0.91 0.02 0.00 -0.71 0.00 0.00 52.86 51.80 2kkl s ASN 109 Cb -0.13 0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.63 2kkl s ASN 109 CO 0.18 -0.42 -0.15 0.54 -1.51 0.00 0.00 177.10 175.74 2kkl s VAL 110 N -3.16 1.44 -0.05 1.60 0.11 -1.01 -0.98 120.40 118.35 2kkl s VAL 110 Ca 0.07 -0.63 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2kkl s VAL 110 Cb 0.02 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2kkl s VAL 110 CO -0.04 0.43 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.37 2kkl s VAL 111 N 0.82 0.89 -0.23 2.04 1.01 -0.32 -2.66 120.40 121.96 2kkl s VAL 111 Ca -0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2kkl s VAL 111 Cb -0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 2kkl s VAL 111 CO 0.01 0.30 0.14 -0.62 0.00 0.00 0.00 175.10 174.93 2kkl s ASP 112 N 0.62 6.09 0.00 3.32 -1.08 -1.18 -2.05 116.67 122.38 2kkl s ASP 112 Ca -0.11 0.13 0.22 0.00 -0.52 0.00 0.00 52.55 52.27 2kkl s ASP 112 Cb -0.14 -2.09 1.03 0.00 -1.46 0.00 0.00 42.92 40.26 2kkl s ASP 112 CO 0.02 0.10 1.70 1.33 0.52 0.00 0.00 175.17 178.84 2kkl n VAL 113 N 4.06 0.09 1.81 1.11 0.24 -1.26 -3.49 118.33 120.88 2kkl n VAL 113 Ca -0.15 -0.18 0.15 0.00 -2.04 0.00 0.00 64.34 62.12 2kkl n VAL 113 Cb 0.52 0.07 0.88 0.00 -1.47 0.00 0.00 33.84 33.84 2kkl n VAL 113 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kkl n GLY 114 N 1.01 -1.03 5.57 7.63 0.00 -1.26 -4.89 105.19 112.21 2kkl n GLY 114 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kkl n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkl n SER 115 N -1.06 0.00 -4.73 1.61 7.64 -1.23 -4.53 113.62 111.32 2kkl n SER 115 Ca 0.21 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 2kkl n SER 115 Cb 0.14 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 2kkl n SER 115 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kkl s LEU 116 N 0.00 4.43 -1.45 -3.43 2.96 -1.26 -3.23 118.68 116.69 2kkl s LEU 116 Ca 0.00 2.18 -0.09 0.00 -0.22 0.00 0.00 54.13 55.99 2kkl s LEU 116 Cb 0.00 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.13 2kkl s LEU 116 CO 0.00 -0.40 0.93 -3.20 -1.32 0.00 0.00 176.35 172.36 2kkl n ASN 117 N 2.91 -5.69 -2.76 3.68 5.15 -1.26 -4.98 115.26 112.31 2kkl n ASN 117 Ca 0.06 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 2kkl n ASN 117 Cb 0.45 -4.54 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 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 -1.74 -1.21 3.76 8.20 0.00 -1.20 -4.95 105.19 108.05 2kkl n GLY 118 Ca -0.01 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.36 2.10 0.14 2.61 2.01 -1.26 -4.98 115.64 115.89 2kkl s THR 119 Ca 0.00 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.20 2kkl s THR 119 Cb 0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2kkl s THR 119 CO 0.00 0.02 -0.26 -0.72 -0.69 0.00 0.00 174.62 172.97 2kkl s TYR 120 N -0.47 2.33 -0.09 4.92 -0.85 -1.26 -4.26 117.35 117.67 2kkl s TYR 120 Ca 0.59 -0.36 0.04 0.00 -0.52 0.00 0.00 57.07 56.81 2kkl s TYR 120 Cb -0.47 -1.25 0.00 0.00 0.38 0.00 0.00 41.96 40.63 2kkl s TYR 120 CO 0.54 0.36 -0.22 0.54 -1.52 0.00 0.00 175.55 175.25 2kkl s VAL 121 N -1.14 1.92 0.00 -3.49 0.11 -1.22 -4.32 120.40 112.27 2kkl s VAL 121 Ca 0.15 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2kkl s VAL 121 Cb -0.10 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 2kkl s VAL 121 CO 0.07 0.53 0.00 0.59 -3.33 0.00 0.00 175.10 172.96 2kkl n ASN 122 N 3.56 -0.52 0.00 3.54 5.03 -1.26 -1.67 115.26 123.94 2kkl n ASN 122 Ca -0.20 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2kkl n ASN 122 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 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 -0.16 0.00 -3.75 3.52 1.74 -1.26 -4.01 116.66 112.75 2kkl n ARG 123 Ca 0.00 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 2kkl n ARG 123 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 2kkl n ARG 123 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kkl s GLU 124 N -2.02 2.36 -0.15 5.56 2.12 -0.67 -5.07 118.70 120.83 2kkl s GLU 124 Ca 0.00 -2.34 -0.29 0.00 0.36 0.00 0.00 54.97 52.69 2kkl s GLU 124 Cb 0.00 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 2kkl s GLU 124 CO 0.00 -1.14 1.11 -1.25 -0.54 0.00 0.00 175.26 173.44 2kkl s PRO 125 N 0.25 4.31 0.16 4.30 0.04 -1.25 -3.41 135.00 139.41 2kkl s PRO 125 Ca 0.15 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.69 2kkl s PRO 125 Cb -0.21 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 2kkl s PRO 125 CO -0.03 -0.53 0.03 0.14 0.04 0.00 0.00 177.00 176.64 2kkl s VAL 126 N 2.78 0.46 0.26 -0.36 -7.23 -1.26 -4.92 120.40 110.13 2kkl s VAL 126 Ca 0.50 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2kkl s VAL 126 Cb -0.19 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 34.78 2kkl s VAL 126 CO 0.14 -0.44 1.80 0.44 -0.31 0.00 0.00 175.10 176.73 2kkl h ASP 127 N 2.74 0.86 -5.06 4.85 3.32 -1.92 -3.40 116.42 117.80 2kkl h ASP 127 Ca -0.36 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2kkl h ASP 127 Cb 1.20 -0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.41 2kkl h ASP 127 CO 0.61 0.83 0.02 -0.94 -1.72 0.00 0.00 179.24 178.04 2kkl s SER 128 N -6.53 -0.31 0.06 6.45 1.04 -1.26 -3.13 113.70 110.01 2kkl s SER 128 Ca -0.10 -0.30 -0.26 0.00 0.48 0.00 0.00 55.95 55.76 2kkl s SER 128 Cb 0.15 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.88 2kkl s SER 128 CO 0.81 -0.93 0.67 0.00 0.98 0.00 0.00 173.24 174.77 2kkl s ALA 129 N -3.81 -1.69 -0.03 5.32 0.00 -1.09 -5.03 121.76 115.43 2kkl s ALA 129 Ca 0.04 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 2kkl s ALA 129 Cb 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2kkl s ALA 129 CO -0.10 -0.61 0.88 0.08 0.00 0.00 0.00 175.76 176.02 2kkl s VAL 130 N -2.73 4.93 0.32 0.00 1.01 -1.26 -2.41 120.40 120.25 2kkl s VAL 130 Ca -0.03 1.84 -0.27 0.00 0.00 0.00 0.00 61.98 63.52 2kkl s VAL 130 Cb -0.01 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2kkl s VAL 130 CO -0.04 0.18 1.00 -0.76 0.00 0.00 0.00 175.10 175.48 2kkl s LEU 131 N 0.99 4.40 -0.05 3.92 1.43 -0.50 -4.97 118.68 123.89 2kkl s LEU 131 Ca 0.47 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 2kkl s LEU 131 Cb -0.20 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.15 2kkl s LEU 131 CO 0.24 -0.13 0.33 0.00 0.23 0.00 0.00 176.35 177.02 2kkl s ALA 132 N -1.45 -0.83 0.04 4.21 0.00 -1.26 -4.53 121.76 117.93 2kkl s ALA 132 Ca 0.49 0.53 -0.39 0.00 0.00 0.00 0.00 51.96 52.60 2kkl s ALA 132 Cb -0.23 -0.11 -0.19 0.00 0.00 0.00 0.00 23.12 22.59 2kkl s ALA 132 CO 0.29 -0.24 1.17 0.27 0.00 0.00 0.00 175.76 177.25 2kkl n ASN 133 N 1.72 0.61 0.00 0.00 0.23 -1.26 -0.69 115.26 115.87 2kkl n ASN 133 Ca -0.19 1.14 0.00 0.00 -0.53 0.00 0.00 54.58 55.00 2kkl n ASN 133 Cb 0.56 -1.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kkl n GLY 134 N 1.89 0.62 3.87 4.83 0.00 -0.97 -5.03 105.19 110.40 2kkl n GLY 134 Ca 0.19 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.24 6.65 -0.16 1.61 1.01 0.13 -4.94 116.67 118.73 2kkl s ASP 135 Ca 0.00 0.98 -0.04 0.00 0.71 0.00 0.00 52.55 54.20 2kkl s ASP 135 Cb 0.00 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 2kkl s ASP 135 CO 0.00 -0.10 -0.02 -0.70 0.21 0.00 0.00 175.17 174.56 2kkl s GLU 136 N -2.85 3.69 -0.07 8.23 2.12 -1.26 -0.13 118.70 128.43 2kkl s GLU 136 Ca 0.49 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.34 2kkl s GLU 136 Cb -0.11 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.32 2kkl s GLU 136 CO 0.21 0.22 -0.16 0.08 -0.54 0.00 0.00 175.26 175.06 2kkl s VAL 137 N 0.44 1.41 -0.16 3.70 1.01 -0.96 -4.19 120.40 121.65 2kkl s VAL 137 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2kkl s VAL 137 Cb -0.14 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2kkl s VAL 137 CO 0.03 0.41 -0.18 -1.58 0.00 0.00 0.00 175.10 173.78 2kkl s GLN 138 N 0.44 2.77 -0.21 2.72 0.74 -1.26 -1.87 119.66 122.99 2kkl s GLN 138 Ca -0.13 -0.75 -0.04 0.00 0.05 0.00 0.00 55.36 54.49 2kkl s GLN 138 Cb -0.15 -2.39 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 2kkl s GLN 138 CO 0.05 -0.18 -0.03 0.42 -0.55 0.00 0.00 175.29 174.99 2kkl s ILE 139 N 1.27 3.58 0.00 -2.34 -1.09 -0.96 -4.63 121.20 117.03 2kkl s ILE 139 Ca 0.03 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 2kkl s ILE 139 Cb -0.13 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 2kkl s ILE 139 CO -0.10 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2kkl n GLY 140 N 4.54 3.44 0.25 6.18 0.00 -1.26 -1.38 105.19 116.96 2kkl n GLY 140 Ca -0.18 -0.07 0.12 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 0.68 -3.31 1.61 4.81 -1.26 -4.89 118.16 129.80 2kkl n LYS 141 Ca 0.00 -0.50 -0.39 0.00 -0.87 0.00 0.00 58.31 56.56 2kkl n LYS 141 Cb 0.00 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.50 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 -2.66 3.80 -0.13 5.64 0.40 -0.48 -5.07 117.98 119.48 2kkl s PHE 142 Ca 0.17 1.23 -0.06 0.00 -0.60 0.00 0.00 56.93 57.68 2kkl s PHE 142 Cb 0.18 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 2kkl s PHE 142 CO 0.63 0.59 0.08 1.03 0.70 0.00 0.00 175.22 178.25 2kkl s ARG 143 N -1.09 3.51 0.07 0.44 0.52 -1.26 -2.26 118.95 118.88 2kkl s ARG 143 Ca 0.28 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 2kkl s ARG 143 Cb -0.19 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2kkl s ARG 143 CO 0.18 0.59 -0.05 -0.51 0.02 0.00 0.00 175.30 175.52 2kkl s LEU 144 N -0.51 2.44 -0.05 2.53 1.02 -0.78 -2.55 118.68 120.77 2kkl s LEU 144 Ca 0.11 -0.88 0.04 0.00 0.02 0.00 0.00 54.13 53.41 2kkl s LEU 144 Cb -0.12 0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.11 2kkl s LEU 144 CO 0.02 -0.45 -0.16 0.54 0.02 0.00 0.00 176.35 176.32 2kkl s VAL 145 N -3.13 1.37 -0.42 -1.59 0.11 -0.60 -2.26 120.40 113.87 2kkl s VAL 145 Ca 0.04 -0.66 -0.24 0.00 -2.93 0.00 0.00 61.98 58.19 2kkl s VAL 145 Cb 0.02 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 2kkl s VAL 145 CO -0.05 0.40 0.82 0.12 -3.33 0.00 0.00 175.10 173.06 2kkl s PHE 146 N 0.23 3.02 0.08 1.54 5.36 0.82 -2.49 117.98 126.54 2kkl s PHE 146 Ca -0.08 0.35 0.02 0.00 -0.96 0.00 0.00 56.93 56.26 2kkl s PHE 146 Cb -0.13 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 38.86 2kkl s PHE 146 CO 0.03 -0.93 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.29 2kkl s LEU 147 N 3.34 2.45 -0.13 6.12 1.43 -1.11 -2.29 118.68 128.49 2kkl s LEU 147 Ca 0.32 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2kkl s LEU 147 Cb -0.12 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.01 2kkl s LEU 147 CO 0.22 -0.42 -0.11 0.42 0.23 0.00 0.00 176.35 176.69 2kkl s THR 148 N -3.13 3.27 0.00 5.49 -4.23 -1.26 -2.35 115.64 113.43 2kkl s THR 148 Ca 0.06 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2kkl s THR 148 Cb 0.02 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2kkl s THR 148 CO -0.04 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 2kkl n GLY 149 N 3.49 -0.74 3.81 3.99 0.00 -1.26 -4.56 105.19 109.91 2kkl n GLY 149 Ca -0.18 0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2kkl n GLY 149 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kkl s HIS 150 N 0.00 3.82 0.00 1.61 -3.43 -1.26 -3.92 115.29 112.10 2kkl s HIS 150 Ca 0.00 1.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.58 2kkl s HIS 150 Cb 0.00 -2.53 0.00 0.00 -1.43 0.00 0.00 32.58 28.62 2kkl s HIS 150 CO 0.00 0.57 0.13 1.63 -2.00 0.00 0.00 174.74 175.07 2kkl n LYS 151 N 1.66 0.00 0.00 -0.38 4.76 -1.26 -4.76 118.16 118.18 2kkl n LYS 151 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2kkl n LYS 151 Cb 0.50 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2kkl n LYS 151 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2kkl n GLN 152 N -0.25 0.00 -0.22 1.97 7.27 -1.26 -4.61 117.38 120.29 2kkl n GLN 152 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2kkl n GLN 152 Cb 0.00 -3.57 0.00 0.00 2.41 0.00 0.00 30.24 29.08 2kkl n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kkl n GLY 153 N -1.72 -2.98 0.00 1.69 0.00 -1.26 -5.01 105.19 95.91 2kkl n GLY 153 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.64 1.83 -2.74 1.61 1.02 -1.26 -5.05 120.64 114.41 2kkl n GLU 154 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2kkl n GLU 154 Cb 0.07 -0.42 -0.03 0.00 -0.02 0.00 0.00 31.44 31.03 2kkl n GLU 154 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kkl s ASP 155 N -0.64 6.78 0.00 1.62 2.15 -1.26 -4.95 116.67 120.36 2kkl s ASP 155 Ca 0.00 0.78 0.00 0.00 0.43 0.00 0.00 52.55 53.76 2kkl s ASP 155 Cb 0.00 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2kkl s ASP 155 CO 0.00 -0.87 0.00 0.18 -0.17 0.00 0.00 175.17 174.31 2kkl n LEU 156 N 6.83 2.40 -1.59 -1.34 4.32 -1.26 -4.84 117.00 121.52 2kkl n LEU 156 Ca 0.09 0.08 -0.08 0.00 -0.02 0.00 0.00 56.01 56.08 2kkl n LEU 156 Cb 0.48 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.17 2kkl n LEU 156 CO 0.59 -0.08 -0.08 -0.62 -1.22 0.00 0.00 177.39 175.98 2kkl n GLU 157 N -0.78 -1.57 -1.05 3.23 1.02 -1.26 -4.53 120.64 115.69 2kkl n GLU 157 Ca 0.00 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 57.67 2kkl n GLU 157 Cb 0.00 -4.69 -0.04 0.00 -0.02 0.00 0.00 31.44 26.69 2kkl n GLU 157 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kkl n HIS 158 N -1.96 -2.18 -3.70 -0.32 8.25 -1.26 -4.99 115.22 109.06 2kkl n HIS 158 Ca -0.08 1.16 -0.14 0.00 -0.26 0.00 0.00 57.72 58.40 2kkl n HIS 158 Cb 0.34 -1.99 -0.09 0.00 1.12 0.00 0.00 29.99 29.38 2kkl n HIS 158 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kkl s HIS 159 N -3.41 -0.48 0.00 4.41 2.46 -1.26 -4.85 115.29 112.16 2kkl s HIS 159 Ca 0.00 1.09 0.00 0.00 0.47 0.00 0.00 55.06 56.62 2kkl s HIS 159 Cb 0.00 0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2kkl s HIS 159 CO 0.00 -0.32 0.00 1.58 -2.47 0.00 0.00 174.74 173.53 2kkl n HIS 160 N 2.30 0.00 -0.19 3.88 -0.00 -1.26 -4.74 115.22 115.22 2kkl n HIS 160 Ca -0.16 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.93 2kkl n HIS 160 Cb 0.57 -1.50 0.01 0.00 -0.12 0.00 0.00 29.99 28.94 2kkl n HIS 160 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kkl h HIS 161 N 0.00 1.08 -4.08 1.57 6.17 -1.95 -3.43 115.15 114.51 2kkl h HIS 161 Ca 0.00 -0.20 -0.44 0.00 0.71 0.00 0.00 60.37 60.44 2kkl h HIS 161 Cb 0.40 -0.28 -0.27 0.00 2.52 0.00 0.00 27.41 29.78 2kkl h HIS 161 CO 0.25 0.99 -0.79 -1.01 0.71 0.00 0.00 177.93 178.08 2kkl s HIS 162 N -4.97 1.13 -0.40 5.26 3.76 -1.26 -5.24 115.29 113.57 2kkl s HIS 162 Ca -0.12 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2kkl s HIS 162 Cb 0.13 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 33.12 2kkl s HIS 162 CO 0.85 0.01 0.10 0.72 -0.85 0.00 0.00 174.74 175.56